USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 708 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 88 HIS : no HD1:sc= 0.166 K(o=0.29,f=-1.9) USER MOD Set 1.2: A 90 HIS : no HE2:sc= 0.126 K(o=0.29,f=-1.2) USER MOD Set 2.1: A 13 ASN : amide:sc= -0.0107 K(o=-0.022,f=-1.4!) USER MOD Set 2.2: A 67 ASN : amide:sc= -0.0118 K(o=-0.022,f=-2.8!) USER MOD Set 3.1: A 14 THR OG1 : rot -151:sc= 0.498 USER MOD Set 3.2: A 62 SER OG : rot 180:sc= 0.457 USER MOD Set 4.1: A 31 TYR OH : rot 180:sc= 0.582 USER MOD Set 4.2: A 37 SER OG : rot 134:sc= 0.641 USER MOD Set 5.1: A 22 SER OG : rot -163:sc= 1.78 USER MOD Set 5.2: A 56 HIS : no HD1:sc= -0.732 K(o=1,f=-4.9!) USER MOD Single : A 1 MET CE :methyl -118:sc= 0 (180deg=-0.126) USER MOD Single : A 1 MET N :NH3+ -149:sc= -0.178 (180deg=-0.381) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -87:sc= 0.522 USER MOD Single : A 11 ASN : amide:sc= -0.288 K(o=-0.29,f=-10!) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 15 MET CE :methyl -112:sc= -0.0431 (180deg=-0.483) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0449 USER MOD Single : A 20 SER OG : rot 180:sc= -0.059 USER MOD Single : A 26 MET CE :methyl -125:sc= -0.0815 (180deg=-1.49!) USER MOD Single : A 27 THR OG1 : rot 66:sc= 0.657 USER MOD Single : A 28 SER OG : rot 180:sc= -0.483 USER MOD Single : A 30 THR OG1 : rot -51:sc= 0.102! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0.151 K(o=0.15,f=-3!) USER MOD Single : A 43 ASN : amide:sc= 1.46 K(o=1.5,f=-5.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 171:sc= 0 (180deg=-0.125) USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 0.946 (180deg=0.909) USER MOD Single : A 70 ASN : amide:sc= -0.0225 X(o=-0.023,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.804 K(o=-0.8,f=-0.11) USER MOD Single : A 87 HIS : no HD1:sc= -0.867 K(o=-0.87,f=-1.5) USER MOD Single : A 89 HIS : no HE2:sc= 0.806 K(o=0.81,f=-2.6!) USER MOD Single : A 91 HIS : no HD1:sc= 0 K(o=0,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.485 2.674 2.994 1.00 50.00 N ATOM 2 CA MET A 1 -12.059 2.613 3.291 1.00 50.00 C ATOM 3 C MET A 1 -11.469 4.009 3.446 1.00 50.00 C ATOM 4 O MET A 1 -11.363 4.759 2.476 1.00 50.00 O ATOM 5 CB MET A 1 -11.323 1.847 2.194 1.00 50.00 C ATOM 6 CG MET A 1 -11.628 0.356 2.154 1.00 50.00 C ATOM 7 SD MET A 1 -10.791 -0.487 0.797 1.00 75.00 S ATOM 8 CE MET A 1 -9.100 -0.483 1.388 1.00 75.00 C ATOM 0 H1 MET A 1 -13.959 1.838 3.392 1.00 50.00 H new ATOM 0 H2 MET A 1 -13.891 3.535 3.414 1.00 50.00 H new ATOM 0 H3 MET A 1 -13.624 2.693 1.964 1.00 50.00 H new ATOM 0 HA MET A 1 -11.933 2.086 4.237 1.00 50.00 H new ATOM 0 HB2 MET A 1 -11.579 2.284 1.229 1.00 50.00 H new ATOM 0 HB3 MET A 1 -10.250 1.982 2.331 1.00 50.00 H new ATOM 0 HG2 MET A 1 -11.328 -0.098 3.099 1.00 50.00 H new ATOM 0 HG3 MET A 1 -12.704 0.211 2.058 1.00 50.00 H new ATOM 0 HE1 MET A 1 -8.475 0.086 0.699 1.00 75.00 H new ATOM 0 HE2 MET A 1 -9.061 -0.025 2.376 1.00 75.00 H new ATOM 0 HE3 MET A 1 -8.733 -1.508 1.449 1.00 75.00 H new ATOM 20 N LYS A 2 -11.087 4.352 4.671 1.00 50.00 N ATOM 21 CA LYS A 2 -10.513 5.661 4.957 1.00 50.00 C ATOM 22 C LYS A 2 -9.308 5.545 5.882 1.00 50.00 C ATOM 23 O LYS A 2 -9.365 4.871 6.910 1.00 50.00 O ATOM 24 CB LYS A 2 -11.564 6.584 5.576 1.00 50.00 C ATOM 25 CG LYS A 2 -11.093 8.014 5.805 1.00 50.00 C ATOM 26 CD LYS A 2 -12.217 8.891 6.329 1.00 50.00 C ATOM 27 CE LYS A 2 -11.732 10.305 6.612 1.00 75.00 C ATOM 28 NZ LYS A 2 -12.833 11.188 7.083 1.00 75.00 N ATOM 0 H LYS A 2 -11.165 3.740 5.483 1.00 50.00 H new ATOM 0 HA LYS A 2 -10.177 6.090 4.013 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -12.440 6.603 4.927 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -11.883 6.163 6.530 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -10.266 8.017 6.515 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -10.712 8.427 4.871 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -13.027 8.922 5.600 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -12.625 8.455 7.241 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -10.945 10.274 7.365 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -11.292 10.725 5.708 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -12.460 12.142 7.264 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -13.573 11.239 6.354 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -13.237 10.802 7.960 1.00 75.00 H new ATOM 42 N ILE A 3 -8.216 6.206 5.509 1.00 50.00 N ATOM 43 CA ILE A 3 -6.967 6.104 6.253 1.00 50.00 C ATOM 44 C ILE A 3 -7.052 6.852 7.577 1.00 50.00 C ATOM 45 O ILE A 3 -7.547 7.978 7.634 1.00 50.00 O ATOM 46 CB ILE A 3 -5.779 6.649 5.440 1.00 50.00 C ATOM 47 CG1 ILE A 3 -5.535 5.782 4.203 1.00 50.00 C ATOM 48 CG2 ILE A 3 -4.529 6.714 6.305 1.00 50.00 C ATOM 49 CD1 ILE A 3 -4.494 6.341 3.261 1.00 50.00 C ATOM 0 H ILE A 3 -8.172 6.819 4.695 1.00 50.00 H new ATOM 0 HA ILE A 3 -6.804 5.044 6.449 1.00 50.00 H new ATOM 0 HB ILE A 3 -6.020 7.659 5.108 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -5.225 4.788 4.524 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -6.474 5.664 3.663 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -3.698 7.101 5.715 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -4.709 7.372 7.155 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -4.283 5.715 6.665 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -4.377 5.671 2.409 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -4.811 7.323 2.910 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -3.542 6.433 3.784 1.00 50.00 H new ATOM 61 N ILE A 4 -6.568 6.220 8.640 1.00 10.00 N ATOM 62 CA ILE A 4 -6.573 6.832 9.964 1.00 10.00 C ATOM 63 C ILE A 4 -5.162 7.197 10.408 1.00 10.00 C ATOM 64 O ILE A 4 -4.927 8.288 10.929 1.00 50.00 O ATOM 65 CB ILE A 4 -7.207 5.902 11.013 1.00 50.00 C ATOM 66 CG1 ILE A 4 -8.632 5.523 10.600 1.00 50.00 C ATOM 67 CG2 ILE A 4 -7.206 6.566 12.382 1.00 50.00 C ATOM 68 CD1 ILE A 4 -9.563 6.705 10.461 1.00 50.00 C ATOM 0 H ILE A 4 -6.167 5.283 8.611 1.00 10.00 H new ATOM 0 HA ILE A 4 -7.172 7.740 9.888 1.00 10.00 H new ATOM 0 HB ILE A 4 -6.612 4.991 11.072 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -8.595 4.988 9.651 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -9.043 4.834 11.338 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -7.658 5.895 13.112 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -6.181 6.787 12.678 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -7.779 7.492 12.338 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -10.553 6.356 10.166 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -9.632 7.228 11.415 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -9.177 7.385 9.701 1.00 50.00 H new ATOM 80 N SER A 5 -4.225 6.278 10.199 1.00 10.00 N ATOM 81 CA SER A 5 -2.849 6.474 10.637 1.00 10.00 C ATOM 82 C SER A 5 -1.872 5.729 9.735 1.00 10.00 C ATOM 83 O SER A 5 -2.025 4.531 9.495 1.00 50.00 O ATOM 84 CB SER A 5 -2.689 6.023 12.076 1.00 50.00 C ATOM 85 OG SER A 5 -1.369 6.156 12.526 1.00 50.00 O ATOM 0 H SER A 5 -4.395 5.389 9.728 1.00 10.00 H new ATOM 0 HA SER A 5 -2.621 7.538 10.572 1.00 10.00 H new ATOM 0 HB2 SER A 5 -3.350 6.609 12.715 1.00 50.00 H new ATOM 0 HB3 SER A 5 -2.999 4.982 12.166 1.00 50.00 H new ATOM 0 HG SER A 5 -1.309 5.857 13.457 1.00 50.00 H new ATOM 91 N ILE A 6 -0.870 6.444 9.239 1.00 10.00 N ATOM 92 CA ILE A 6 0.228 5.822 8.510 1.00 10.00 C ATOM 93 C ILE A 6 1.530 5.908 9.294 1.00 10.00 C ATOM 94 O ILE A 6 1.887 6.968 9.809 1.00 50.00 O ATOM 95 CB ILE A 6 0.430 6.470 7.127 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.825 6.294 6.268 1.00 50.00 C ATOM 97 CG2 ILE A 6 1.643 5.875 6.432 1.00 50.00 C ATOM 98 CD1 ILE A 6 -0.756 7.003 4.934 1.00 50.00 C ATOM 0 H ILE A 6 -0.795 7.457 9.329 1.00 10.00 H new ATOM 0 HA ILE A 6 -0.042 4.775 8.374 1.00 10.00 H new ATOM 0 HB ILE A 6 0.605 7.537 7.266 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.990 5.230 6.096 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -1.688 6.664 6.822 1.00 50.00 H new ATOM 0 HG21 ILE A 6 1.770 6.345 5.457 1.00 50.00 H new ATOM 0 HG22 ILE A 6 2.532 6.050 7.038 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.498 4.802 6.302 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -1.681 6.832 4.383 1.00 50.00 H new ATOM 0 HD12 ILE A 6 -0.623 8.073 5.097 1.00 50.00 H new ATOM 0 HD13 ILE A 6 0.086 6.616 4.359 1.00 50.00 H new ATOM 110 N SER A 7 2.236 4.787 9.383 1.00 10.00 N ATOM 111 CA SER A 7 3.481 4.723 10.140 1.00 10.00 C ATOM 112 C SER A 7 4.549 3.946 9.381 1.00 10.00 C ATOM 113 O SER A 7 4.259 3.284 8.385 1.00 50.00 O ATOM 114 CB SER A 7 3.233 4.091 11.497 1.00 50.00 C ATOM 115 OG SER A 7 2.866 2.743 11.392 1.00 50.00 O ATOM 0 H SER A 7 1.967 3.909 8.940 1.00 10.00 H new ATOM 0 HA SER A 7 3.845 5.741 10.282 1.00 10.00 H new ATOM 0 HB2 SER A 7 4.134 4.175 12.105 1.00 50.00 H new ATOM 0 HB3 SER A 7 2.447 4.641 12.014 1.00 50.00 H new ATOM 0 HG SER A 7 2.717 2.374 12.288 1.00 50.00 H new ATOM 121 N GLU A 8 5.786 4.031 9.859 1.00 10.00 N ATOM 122 CA GLU A 8 6.893 3.301 9.252 1.00 50.00 C ATOM 123 C GLU A 8 7.059 1.926 9.885 1.00 10.00 C ATOM 124 O GLU A 8 6.438 1.622 10.905 1.00 50.00 O ATOM 125 CB GLU A 8 8.194 4.097 9.378 1.00 50.00 C ATOM 126 CG GLU A 8 8.209 5.406 8.600 1.00 50.00 C ATOM 127 CD GLU A 8 9.505 6.143 8.794 1.00 50.00 C ATOM 128 OE1 GLU A 8 10.292 5.715 9.604 1.00 50.00 O ATOM 129 OE2 GLU A 8 9.756 7.066 8.056 1.00 50.00 O ATOM 0 H GLU A 8 6.047 4.598 10.665 1.00 10.00 H new ATOM 0 HA GLU A 8 6.662 3.165 8.196 1.00 50.00 H new ATOM 0 HB2 GLU A 8 8.373 4.313 10.431 1.00 50.00 H new ATOM 0 HB3 GLU A 8 9.021 3.475 9.035 1.00 50.00 H new ATOM 0 HG2 GLU A 8 8.059 5.203 7.540 1.00 50.00 H new ATOM 0 HG3 GLU A 8 7.379 6.034 8.925 1.00 50.00 H new ATOM 136 N THR A 9 7.897 1.095 9.276 1.00 50.00 N ATOM 137 CA THR A 9 8.133 -0.255 9.769 1.00 10.00 C ATOM 138 C THR A 9 9.624 -0.540 9.902 1.00 10.00 C ATOM 139 O THR A 9 10.459 0.219 9.410 1.00 50.00 O ATOM 140 CB THR A 9 7.499 -1.312 8.847 1.00 50.00 C ATOM 141 OG1 THR A 9 8.269 -1.424 7.643 1.00 50.00 O ATOM 142 CG2 THR A 9 6.070 -0.925 8.496 1.00 50.00 C ATOM 0 H THR A 9 8.426 1.334 8.437 1.00 50.00 H new ATOM 0 HA THR A 9 7.665 -0.316 10.752 1.00 10.00 H new ATOM 0 HB THR A 9 7.488 -2.268 9.370 1.00 50.00 H new ATOM 0 HG1 THR A 9 7.959 -0.759 6.993 1.00 50.00 H new ATOM 0 HG21 THR A 9 5.637 -1.684 7.844 1.00 50.00 H new ATOM 0 HG22 THR A 9 5.478 -0.851 9.409 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.069 0.037 7.984 1.00 50.00 H new ATOM 150 N PRO A 10 9.954 -1.640 10.571 1.00 50.00 N ATOM 151 CA PRO A 10 11.345 -2.031 10.764 1.00 50.00 C ATOM 152 C PRO A 10 12.087 -2.105 9.436 1.00 50.00 C ATOM 153 O PRO A 10 13.291 -1.865 9.373 1.00 50.00 O ATOM 154 CB PRO A 10 11.257 -3.397 11.452 1.00 50.00 C ATOM 155 CG PRO A 10 9.950 -3.367 12.172 1.00 50.00 C ATOM 156 CD PRO A 10 9.024 -2.582 11.283 1.00 50.00 C ATOM 0 HA PRO A 10 11.907 -1.311 11.359 1.00 50.00 H new ATOM 0 HB2 PRO A 10 11.293 -4.210 10.727 1.00 50.00 H new ATOM 0 HB3 PRO A 10 12.087 -3.549 12.142 1.00 50.00 H new ATOM 0 HG2 PRO A 10 9.571 -4.375 12.342 1.00 50.00 H new ATOM 0 HG3 PRO A 10 10.050 -2.895 13.150 1.00 50.00 H new ATOM 0 HD2 PRO A 10 8.492 -3.228 10.585 1.00 50.00 H new ATOM 0 HD3 PRO A 10 8.270 -2.046 11.859 1.00 50.00 H new ATOM 164 N ASN A 11 11.359 -2.440 8.376 1.00 50.00 N ATOM 165 CA ASN A 11 11.902 -2.380 7.024 1.00 50.00 C ATOM 166 C ASN A 11 11.450 -1.116 6.305 1.00 50.00 C ATOM 167 O ASN A 11 10.279 -0.971 5.958 1.00 50.00 O ATOM 168 CB ASN A 11 11.519 -3.607 6.217 1.00 50.00 C ATOM 169 CG ASN A 11 12.141 -3.652 4.850 1.00 50.00 C ATOM 170 OD1 ASN A 11 12.648 -2.643 4.343 1.00 75.00 O ATOM 171 ND2 ASN A 11 12.034 -4.792 4.216 1.00 50.00 N ATOM 0 H ASN A 11 10.391 -2.756 8.427 1.00 50.00 H new ATOM 0 HA ASN A 11 12.988 -2.357 7.114 1.00 50.00 H new ATOM 0 HB2 ASN A 11 11.813 -4.500 6.769 1.00 50.00 H new ATOM 0 HB3 ASN A 11 10.434 -3.638 6.114 1.00 50.00 H new ATOM 0 HD21 ASN A 11 12.377 -4.878 3.259 1.00 50.00 H new ATOM 0 HD22 ASN A 11 11.608 -5.595 4.679 1.00 50.00 H new ATOM 178 N HIS A 12 12.389 -0.202 6.084 1.00 50.00 N ATOM 179 CA HIS A 12 12.058 1.134 5.601 1.00 50.00 C ATOM 180 C HIS A 12 11.517 1.088 4.178 1.00 50.00 C ATOM 181 O HIS A 12 10.940 2.060 3.692 1.00 50.00 O ATOM 182 CB HIS A 12 13.283 2.052 5.667 1.00 50.00 C ATOM 183 CG HIS A 12 14.336 1.723 4.655 1.00 50.00 C ATOM 184 ND1 HIS A 12 15.255 0.711 4.840 1.00 75.00 N ATOM 185 CD2 HIS A 12 14.617 2.271 3.450 1.00 50.00 C ATOM 186 CE1 HIS A 12 16.055 0.651 3.789 1.00 75.00 C ATOM 187 NE2 HIS A 12 15.689 1.587 2.933 1.00 75.00 N ATOM 0 H HIS A 12 13.386 -0.362 6.232 1.00 50.00 H new ATOM 0 HA HIS A 12 11.280 1.536 6.250 1.00 50.00 H new ATOM 0 HB2 HIS A 12 12.962 3.083 5.522 1.00 50.00 H new ATOM 0 HB3 HIS A 12 13.718 1.991 6.664 1.00 50.00 H new ATOM 0 HD2 HIS A 12 14.095 3.093 2.982 1.00 50.00 H new ATOM 0 HE1 HIS A 12 16.869 -0.045 3.654 1.00 75.00 H new ATOM 0 HE2 HIS A 12 16.131 1.772 2.033 1.00 75.00 H new ATOM 195 N ASN A 13 11.708 -0.047 3.515 1.00 10.00 N ATOM 196 CA ASN A 13 11.257 -0.214 2.138 1.00 10.00 C ATOM 197 C ASN A 13 9.738 -0.291 2.061 1.00 10.00 C ATOM 198 O ASN A 13 9.144 -0.012 1.020 1.00 50.00 O ATOM 199 CB ASN A 13 11.877 -1.441 1.497 1.00 50.00 C ATOM 200 CG ASN A 13 13.331 -1.273 1.149 1.00 50.00 C ATOM 201 OD1 ASN A 13 13.853 -0.154 1.099 1.00 50.00 O ATOM 202 ND2 ASN A 13 13.966 -2.374 0.831 1.00 50.00 N ATOM 0 H ASN A 13 12.172 -0.865 3.909 1.00 10.00 H new ATOM 0 HA ASN A 13 11.586 0.664 1.583 1.00 10.00 H new ATOM 0 HB2 ASN A 13 11.771 -2.287 2.176 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.322 -1.687 0.592 1.00 50.00 H new ATOM 0 HD21 ASN A 13 14.938 -2.332 0.525 1.00 50.00 H new ATOM 0 HD22 ASN A 13 13.488 -3.273 0.890 1.00 50.00 H new ATOM 209 N THR A 14 9.113 -0.672 3.171 1.00 10.00 N ATOM 210 CA THR A 14 7.659 -0.764 3.237 1.00 10.00 C ATOM 211 C THR A 14 7.108 0.058 4.394 1.00 10.00 C ATOM 212 O THR A 14 7.770 0.231 5.418 1.00 50.00 O ATOM 213 CB THR A 14 7.193 -2.222 3.391 1.00 50.00 C ATOM 214 OG1 THR A 14 5.761 -2.264 3.467 1.00 50.00 O ATOM 215 CG2 THR A 14 7.781 -2.841 4.650 1.00 50.00 C ATOM 0 H THR A 14 9.591 -0.922 4.037 1.00 10.00 H new ATOM 0 HA THR A 14 7.276 -0.366 2.297 1.00 10.00 H new ATOM 0 HB THR A 14 7.535 -2.789 2.525 1.00 50.00 H new ATOM 0 HG1 THR A 14 5.484 -3.040 3.997 1.00 50.00 H new ATOM 0 HG21 THR A 14 7.440 -3.872 4.742 1.00 50.00 H new ATOM 0 HG22 THR A 14 8.869 -2.822 4.590 1.00 50.00 H new ATOM 0 HG23 THR A 14 7.456 -2.272 5.521 1.00 50.00 H new ATOM 223 N MET A 15 5.891 0.565 4.226 1.00 10.00 N ATOM 224 CA MET A 15 5.232 1.338 5.271 1.00 10.00 C ATOM 225 C MET A 15 3.860 0.763 5.601 1.00 10.00 C ATOM 226 O MET A 15 3.266 0.048 4.794 1.00 50.00 O ATOM 227 CB MET A 15 5.104 2.800 4.846 1.00 50.00 C ATOM 228 CG MET A 15 6.418 3.568 4.830 1.00 50.00 C ATOM 229 SD MET A 15 6.208 5.295 4.356 1.00 50.00 S ATOM 230 CE MET A 15 5.327 5.932 5.778 1.00 50.00 C ATOM 0 H MET A 15 5.341 0.454 3.374 1.00 10.00 H new ATOM 0 HA MET A 15 5.846 1.281 6.170 1.00 10.00 H new ATOM 0 HB2 MET A 15 4.663 2.839 3.850 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.412 3.303 5.521 1.00 50.00 H new ATOM 0 HG2 MET A 15 6.875 3.520 5.819 1.00 50.00 H new ATOM 0 HG3 MET A 15 7.107 3.086 4.137 1.00 50.00 H new ATOM 0 HE1 MET A 15 4.310 6.195 5.488 1.00 50.00 H new ATOM 0 HE2 MET A 15 5.297 5.171 6.558 1.00 50.00 H new ATOM 0 HE3 MET A 15 5.837 6.818 6.155 1.00 50.00 H new ATOM 240 N LYS A 16 3.361 1.081 6.791 1.00 10.00 N ATOM 241 CA LYS A 16 2.104 0.518 7.269 1.00 10.00 C ATOM 242 C LYS A 16 0.984 1.549 7.216 1.00 10.00 C ATOM 243 O LYS A 16 1.108 2.644 7.766 1.00 50.00 O ATOM 244 CB LYS A 16 2.264 -0.012 8.695 1.00 50.00 C ATOM 245 CG LYS A 16 0.994 -0.608 9.288 1.00 50.00 C ATOM 246 CD LYS A 16 1.205 -1.035 10.733 1.00 50.00 C ATOM 247 CE LYS A 16 -0.086 -1.542 11.356 1.00 50.00 C ATOM 248 NZ LYS A 16 0.101 -1.946 12.776 1.00 50.00 N ATOM 0 H LYS A 16 3.808 1.726 7.442 1.00 10.00 H new ATOM 0 HA LYS A 16 1.837 -0.309 6.611 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.046 -0.772 8.702 1.00 50.00 H new ATOM 0 HB3 LYS A 16 2.604 0.801 9.336 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.188 0.124 9.237 1.00 50.00 H new ATOM 0 HG3 LYS A 16 0.682 -1.467 8.695 1.00 50.00 H new ATOM 0 HD2 LYS A 16 1.963 -1.817 10.776 1.00 50.00 H new ATOM 0 HD3 LYS A 16 1.583 -0.192 11.311 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.847 -0.764 11.298 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -0.456 -2.392 10.783 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -0.803 -2.285 13.162 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 0.808 -2.707 12.830 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 0.429 -1.129 13.329 1.00 50.00 H new ATOM 262 N ILE A 17 -0.109 1.195 6.548 1.00 10.00 N ATOM 263 CA ILE A 17 -1.255 2.086 6.427 1.00 10.00 C ATOM 264 C ILE A 17 -2.474 1.517 7.140 1.00 10.00 C ATOM 265 O ILE A 17 -3.045 0.516 6.710 1.00 50.00 O ATOM 266 CB ILE A 17 -1.611 2.351 4.952 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.411 2.946 4.212 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.814 3.275 4.853 1.00 50.00 C ATOM 269 CD1 ILE A 17 -0.614 3.069 2.718 1.00 50.00 C ATOM 0 H ILE A 17 -0.224 0.295 6.082 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.971 3.028 6.897 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.869 1.402 4.482 1.00 50.00 H new ATOM 0 HG12 ILE A 17 -0.196 3.933 4.622 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.465 2.325 4.400 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -3.052 3.452 3.804 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.669 2.813 5.346 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.585 4.224 5.338 1.00 50.00 H new ATOM 0 HD11 ILE A 17 0.279 3.498 2.264 1.00 50.00 H new ATOM 0 HD12 ILE A 17 -0.798 2.082 2.293 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -1.469 3.715 2.519 1.00 50.00 H new ATOM 281 N THR A 18 -2.869 2.162 8.233 1.00 10.00 N ATOM 282 CA THR A 18 -3.993 1.695 9.035 1.00 10.00 C ATOM 283 C THR A 18 -5.262 2.471 8.710 1.00 10.00 C ATOM 284 O THR A 18 -5.283 3.701 8.780 1.00 50.00 O ATOM 285 CB THR A 18 -3.702 1.813 10.542 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.561 1.012 10.875 1.00 50.00 O ATOM 287 CG2 THR A 18 -4.899 1.349 11.355 1.00 50.00 C ATOM 0 H THR A 18 -2.426 3.011 8.584 1.00 10.00 H new ATOM 0 HA THR A 18 -4.140 0.644 8.785 1.00 10.00 H new ATOM 0 HB THR A 18 -3.501 2.858 10.777 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.376 1.089 11.834 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.674 1.440 12.418 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.764 1.966 11.113 1.00 50.00 H new ATOM 0 HG23 THR A 18 -5.118 0.308 11.118 1.00 50.00 H new ATOM 295 N LEU A 19 -6.319 1.749 8.355 1.00 10.00 N ATOM 296 CA LEU A 19 -7.572 2.373 7.947 1.00 50.00 C ATOM 297 C LEU A 19 -8.698 2.028 8.914 1.00 10.00 C ATOM 298 O LEU A 19 -8.544 1.165 9.779 1.00 50.00 O ATOM 299 CB LEU A 19 -7.941 1.942 6.523 1.00 50.00 C ATOM 300 CG LEU A 19 -6.936 2.350 5.438 1.00 50.00 C ATOM 301 CD1 LEU A 19 -5.894 1.255 5.253 1.00 50.00 C ATOM 302 CD2 LEU A 19 -7.676 2.617 4.134 1.00 50.00 C ATOM 0 H LEU A 19 -6.333 0.729 8.342 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.433 3.454 7.964 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -8.051 0.858 6.505 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.914 2.365 6.273 1.00 50.00 H new ATOM 0 HG LEU A 19 -6.422 3.262 5.743 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -5.185 1.554 4.481 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -5.363 1.096 6.191 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -6.387 0.330 4.954 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -6.962 2.907 3.363 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -8.200 1.714 3.822 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -8.396 3.422 4.282 1.00 50.00 H new ATOM 314 N SER A 20 -9.831 2.705 8.762 1.00 10.00 N ATOM 315 CA SER A 20 -11.030 2.376 9.524 1.00 10.00 C ATOM 316 C SER A 20 -11.796 1.229 8.877 1.00 50.00 C ATOM 317 O SER A 20 -12.110 0.234 9.531 1.00 50.00 O ATOM 318 CB SER A 20 -11.917 3.599 9.654 1.00 50.00 C ATOM 319 OG SER A 20 -12.339 4.077 8.406 1.00 50.00 O ATOM 0 H SER A 20 -9.944 3.487 8.117 1.00 10.00 H new ATOM 0 HA SER A 20 -10.723 2.053 10.519 1.00 10.00 H new ATOM 0 HB2 SER A 20 -12.788 3.352 10.261 1.00 50.00 H new ATOM 0 HB3 SER A 20 -11.375 4.386 10.179 1.00 50.00 H new ATOM 0 HG SER A 20 -12.909 4.864 8.533 1.00 50.00 H new ATOM 325 N GLU A 21 -12.096 1.375 7.591 1.00 50.00 N ATOM 326 CA GLU A 21 -12.607 0.267 6.794 1.00 50.00 C ATOM 327 C GLU A 21 -11.506 -0.359 5.949 1.00 75.00 C ATOM 328 O GLU A 21 -10.488 0.276 5.670 1.00 75.00 O ATOM 329 CB GLU A 21 -13.755 0.737 5.898 1.00 50.00 C ATOM 330 CG GLU A 21 -14.992 1.205 6.652 1.00 50.00 C ATOM 331 CD GLU A 21 -16.021 1.774 5.716 1.00 75.00 C ATOM 332 OE1 GLU A 21 -15.755 1.836 4.540 1.00 75.00 O ATOM 333 OE2 GLU A 21 -17.114 2.042 6.157 1.00 75.00 O ATOM 0 H GLU A 21 -11.994 2.251 7.078 1.00 50.00 H new ATOM 0 HA GLU A 21 -12.981 -0.492 7.481 1.00 50.00 H new ATOM 0 HB2 GLU A 21 -13.398 1.552 5.269 1.00 50.00 H new ATOM 0 HB3 GLU A 21 -14.037 -0.079 5.232 1.00 50.00 H new ATOM 0 HG2 GLU A 21 -15.422 0.369 7.203 1.00 50.00 H new ATOM 0 HG3 GLU A 21 -14.709 1.959 7.386 1.00 50.00 H new ATOM 340 N SER A 22 -11.715 -1.605 5.542 1.00 75.00 N ATOM 341 CA SER A 22 -10.682 -2.369 4.852 1.00 75.00 C ATOM 342 C SER A 22 -11.264 -3.145 3.677 1.00 75.00 C ATOM 343 O SER A 22 -12.377 -2.869 3.229 1.00 75.00 O ATOM 344 CB SER A 22 -9.995 -3.312 5.820 1.00 75.00 C ATOM 345 OG SER A 22 -8.820 -3.853 5.283 1.00 75.00 O ATOM 0 H SER A 22 -12.591 -2.109 5.678 1.00 75.00 H new ATOM 0 HA SER A 22 -9.946 -1.667 4.459 1.00 75.00 H new ATOM 0 HB2 SER A 22 -9.760 -2.778 6.741 1.00 75.00 H new ATOM 0 HB3 SER A 22 -10.677 -4.120 6.085 1.00 75.00 H new ATOM 0 HG SER A 22 -8.551 -4.636 5.807 1.00 75.00 H new ATOM 351 N ARG A 23 -10.506 -4.118 3.183 1.00 75.00 N ATOM 352 CA ARG A 23 -10.985 -5.003 2.130 1.00 75.00 C ATOM 353 C ARG A 23 -12.241 -5.748 2.565 1.00 75.00 C ATOM 354 O ARG A 23 -12.359 -6.166 3.717 1.00 75.00 O ATOM 355 CB ARG A 23 -9.906 -5.964 1.652 1.00 75.00 C ATOM 356 CG ARG A 23 -10.320 -6.871 0.504 1.00 75.00 C ATOM 357 CD ARG A 23 -9.263 -7.812 0.055 1.00 75.00 C ATOM 358 NE ARG A 23 -9.678 -8.730 -0.993 1.00 75.00 N ATOM 359 CZ ARG A 23 -10.390 -9.855 -0.786 1.00 75.00 C ATOM 360 NH1 ARG A 23 -10.735 -10.224 0.426 1.00 75.00 N ATOM 361 NH2 ARG A 23 -10.713 -10.592 -1.835 1.00 75.00 N ATOM 0 H ARG A 23 -9.555 -4.313 3.497 1.00 75.00 H new ATOM 0 HA ARG A 23 -11.247 -4.374 1.279 1.00 75.00 H new ATOM 0 HB2 ARG A 23 -9.035 -5.385 1.343 1.00 75.00 H new ATOM 0 HB3 ARG A 23 -9.594 -6.585 2.492 1.00 75.00 H new ATOM 0 HG2 ARG A 23 -11.195 -7.445 0.808 1.00 75.00 H new ATOM 0 HG3 ARG A 23 -10.622 -6.252 -0.341 1.00 75.00 H new ATOM 0 HD2 ARG A 23 -8.409 -7.236 -0.301 1.00 75.00 H new ATOM 0 HD3 ARG A 23 -8.921 -8.391 0.913 1.00 75.00 H new ATOM 0 HE ARG A 23 -9.412 -8.507 -1.952 1.00 75.00 H new ATOM 0 HH11 ARG A 23 -10.464 -9.656 1.229 1.00 75.00 H new ATOM 0 HH12 ARG A 23 -11.274 -11.079 0.565 1.00 75.00 H new ATOM 0 HH21 ARG A 23 -10.424 -10.303 -2.770 1.00 75.00 H new ATOM 0 HH22 ARG A 23 -11.252 -11.449 -1.710 1.00 75.00 H new ATOM 375 N GLU A 24 -13.179 -5.909 1.637 1.00 75.00 N ATOM 376 CA GLU A 24 -14.419 -6.623 1.918 1.00 75.00 C ATOM 377 C GLU A 24 -14.164 -7.852 2.780 1.00 75.00 C ATOM 378 O GLU A 24 -14.835 -8.063 3.790 1.00 75.00 O ATOM 379 CB GLU A 24 -15.111 -7.028 0.614 1.00 75.00 C ATOM 380 CG GLU A 24 -16.486 -7.651 0.800 1.00 75.00 C ATOM 381 CD GLU A 24 -17.138 -7.939 -0.522 1.00 75.00 C ATOM 382 OE1 GLU A 24 -16.524 -7.693 -1.532 1.00 75.00 O ATOM 383 OE2 GLU A 24 -18.205 -8.508 -0.525 1.00 75.00 O ATOM 0 H GLU A 24 -13.104 -5.554 0.684 1.00 75.00 H new ATOM 0 HA GLU A 24 -15.074 -5.950 2.471 1.00 75.00 H new ATOM 0 HB2 GLU A 24 -15.207 -6.147 -0.021 1.00 75.00 H new ATOM 0 HB3 GLU A 24 -14.474 -7.735 0.083 1.00 75.00 H new ATOM 0 HG2 GLU A 24 -16.395 -8.575 1.372 1.00 75.00 H new ATOM 0 HG3 GLU A 24 -17.117 -6.978 1.380 1.00 75.00 H new ATOM 390 N GLY A 25 -13.191 -8.661 2.376 1.00 75.00 N ATOM 391 CA GLY A 25 -12.646 -9.698 3.244 1.00 75.00 C ATOM 392 C GLY A 25 -11.277 -9.304 3.780 1.00 50.00 C ATOM 393 O GLY A 25 -10.366 -8.988 3.015 1.00 75.00 O ATOM 0 H GLY A 25 -12.763 -8.618 1.451 1.00 75.00 H new ATOM 0 HA2 GLY A 25 -13.328 -9.875 4.076 1.00 75.00 H new ATOM 0 HA3 GLY A 25 -12.567 -10.634 2.691 1.00 75.00 H new ATOM 397 N MET A 26 -11.135 -9.327 5.101 1.00 50.00 N ATOM 398 CA MET A 26 -9.961 -8.763 5.756 1.00 50.00 C ATOM 399 C MET A 26 -8.938 -9.845 6.081 1.00 50.00 C ATOM 400 O MET A 26 -8.350 -9.850 7.162 1.00 50.00 O ATOM 401 CB MET A 26 -10.370 -8.023 7.028 1.00 50.00 C ATOM 402 CG MET A 26 -11.207 -6.774 6.789 1.00 50.00 C ATOM 403 SD MET A 26 -11.683 -5.952 8.321 1.00 50.00 S ATOM 404 CE MET A 26 -12.849 -4.741 7.707 1.00 50.00 C ATOM 0 H MET A 26 -11.820 -9.731 5.740 1.00 50.00 H new ATOM 0 HA MET A 26 -9.497 -8.057 5.067 1.00 50.00 H new ATOM 0 HB2 MET A 26 -10.932 -8.705 7.666 1.00 50.00 H new ATOM 0 HB3 MET A 26 -9.470 -7.743 7.576 1.00 50.00 H new ATOM 0 HG2 MET A 26 -10.644 -6.078 6.168 1.00 50.00 H new ATOM 0 HG3 MET A 26 -12.104 -7.044 6.232 1.00 50.00 H new ATOM 0 HE1 MET A 26 -12.544 -3.746 8.030 1.00 50.00 H new ATOM 0 HE2 MET A 26 -12.873 -4.778 6.618 1.00 50.00 H new ATOM 0 HE3 MET A 26 -13.842 -4.961 8.099 1.00 50.00 H new ATOM 414 N THR A 27 -8.734 -10.760 5.140 1.00 50.00 N ATOM 415 CA THR A 27 -7.820 -11.877 5.344 1.00 50.00 C ATOM 416 C THR A 27 -6.410 -11.527 4.887 1.00 50.00 C ATOM 417 O THR A 27 -6.203 -10.533 4.190 1.00 50.00 O ATOM 418 CB THR A 27 -8.292 -13.138 4.595 1.00 50.00 C ATOM 419 OG1 THR A 27 -8.323 -12.877 3.187 1.00 50.00 O ATOM 420 CG2 THR A 27 -9.681 -13.546 5.062 1.00 75.00 C ATOM 0 H THR A 27 -9.190 -10.750 4.228 1.00 50.00 H new ATOM 0 HA THR A 27 -7.811 -12.082 6.414 1.00 50.00 H new ATOM 0 HB THR A 27 -7.596 -13.950 4.805 1.00 50.00 H new ATOM 0 HG1 THR A 27 -7.410 -12.732 2.861 1.00 50.00 H new ATOM 0 HG21 THR A 27 -9.999 -14.438 4.523 1.00 75.00 H new ATOM 0 HG22 THR A 27 -9.658 -13.757 6.131 1.00 75.00 H new ATOM 0 HG23 THR A 27 -10.383 -12.735 4.867 1.00 75.00 H new ATOM 428 N SER A 28 -5.443 -12.346 5.285 1.00 10.00 N ATOM 429 CA SER A 28 -4.053 -12.137 4.896 1.00 10.00 C ATOM 430 C SER A 28 -3.812 -12.566 3.455 1.00 10.00 C ATOM 431 O SER A 28 -4.028 -13.724 3.098 1.00 50.00 O ATOM 432 CB SER A 28 -3.131 -12.891 5.834 1.00 50.00 C ATOM 433 OG SER A 28 -3.210 -12.413 7.149 1.00 50.00 O ATOM 0 H SER A 28 -5.596 -13.162 5.878 1.00 10.00 H new ATOM 0 HA SER A 28 -3.837 -11.071 4.966 1.00 10.00 H new ATOM 0 HB2 SER A 28 -3.386 -13.951 5.818 1.00 50.00 H new ATOM 0 HB3 SER A 28 -2.104 -12.805 5.479 1.00 50.00 H new ATOM 0 HG SER A 28 -2.602 -12.927 7.721 1.00 50.00 H new ATOM 439 N ASP A 29 -3.362 -11.625 2.631 1.00 10.00 N ATOM 440 CA ASP A 29 -3.117 -11.898 1.220 1.00 10.00 C ATOM 441 C ASP A 29 -1.907 -11.123 0.712 1.00 10.00 C ATOM 442 O ASP A 29 -1.801 -9.915 0.919 1.00 50.00 O ATOM 443 CB ASP A 29 -4.351 -11.552 0.385 1.00 50.00 C ATOM 444 CG ASP A 29 -5.561 -12.437 0.654 1.00 50.00 C ATOM 445 OD1 ASP A 29 -5.532 -13.582 0.270 1.00 50.00 O ATOM 446 OD2 ASP A 29 -6.434 -12.013 1.374 1.00 50.00 O ATOM 0 H ASP A 29 -3.160 -10.667 2.916 1.00 10.00 H new ATOM 0 HA ASP A 29 -2.908 -12.963 1.118 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -4.625 -10.515 0.577 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -4.092 -11.623 -0.671 1.00 50.00 H new ATOM 451 N THR A 30 -0.998 -11.827 0.046 1.00 10.00 N ATOM 452 CA THR A 30 0.199 -11.203 -0.505 1.00 10.00 C ATOM 453 C THR A 30 0.145 -11.155 -2.026 1.00 10.00 C ATOM 454 O THR A 30 -0.035 -12.181 -2.683 1.00 50.00 O ATOM 455 CB THR A 30 1.474 -11.949 -0.069 1.00 50.00 C ATOM 456 OG1 THR A 30 1.565 -11.950 1.362 1.00 50.00 O ATOM 457 CG2 THR A 30 2.709 -11.276 -0.650 1.00 50.00 C ATOM 0 H THR A 30 -1.068 -12.830 -0.125 1.00 10.00 H new ATOM 0 HA THR A 30 0.232 -10.186 -0.115 1.00 10.00 H new ATOM 0 HB THR A 30 1.422 -12.973 -0.438 1.00 50.00 H new ATOM 0 HG1 THR A 30 1.457 -11.036 1.697 1.00 50.00 H new ATOM 0 HG21 THR A 30 3.601 -11.816 -0.332 1.00 50.00 H new ATOM 0 HG22 THR A 30 2.649 -11.283 -1.738 1.00 50.00 H new ATOM 0 HG23 THR A 30 2.763 -10.246 -0.296 1.00 50.00 H new ATOM 465 N TYR A 31 0.304 -9.959 -2.582 1.00 10.00 N ATOM 466 CA TYR A 31 0.289 -9.778 -4.027 1.00 10.00 C ATOM 467 C TYR A 31 1.468 -8.931 -4.489 1.00 10.00 C ATOM 468 O TYR A 31 1.945 -8.062 -3.758 1.00 50.00 O ATOM 469 CB TYR A 31 -1.027 -9.133 -4.473 1.00 50.00 C ATOM 470 CG TYR A 31 -2.239 -10.016 -4.275 1.00 50.00 C ATOM 471 CD1 TYR A 31 -2.592 -10.963 -5.226 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.028 -9.899 -3.140 1.00 50.00 C ATOM 473 CE1 TYR A 31 -3.697 -11.771 -5.050 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.137 -10.702 -2.955 1.00 50.00 C ATOM 475 CZ TYR A 31 -4.467 -11.639 -3.913 1.00 50.00 C ATOM 476 OH TYR A 31 -5.571 -12.440 -3.734 1.00 50.00 O ATOM 0 H TYR A 31 0.445 -9.099 -2.052 1.00 10.00 H new ATOM 0 HA TYR A 31 0.375 -10.763 -4.486 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.171 -8.205 -3.920 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -0.951 -8.867 -5.527 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -1.993 -11.069 -6.118 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.771 -9.168 -2.388 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -3.958 -12.504 -5.799 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -4.742 -10.597 -2.066 1.00 50.00 H new ATOM 0 HH TYR A 31 -6.001 -12.219 -2.881 1.00 50.00 H new ATOM 486 N THR A 32 1.934 -9.188 -5.707 1.00 10.00 N ATOM 487 CA THR A 32 2.916 -8.323 -6.349 1.00 10.00 C ATOM 488 C THR A 32 2.348 -7.685 -7.610 1.00 10.00 C ATOM 489 O THR A 32 2.775 -6.604 -8.016 1.00 50.00 O ATOM 490 CB THR A 32 4.198 -9.096 -6.711 1.00 50.00 C ATOM 491 OG1 THR A 32 3.882 -10.141 -7.641 1.00 50.00 O ATOM 492 CG2 THR A 32 4.824 -9.704 -5.465 1.00 50.00 C ATOM 0 H THR A 32 1.647 -9.989 -6.269 1.00 10.00 H new ATOM 0 HA THR A 32 3.163 -7.542 -5.630 1.00 10.00 H new ATOM 0 HB THR A 32 4.908 -8.402 -7.160 1.00 50.00 H new ATOM 0 HG1 THR A 32 4.699 -10.631 -7.872 1.00 50.00 H new ATOM 0 HG21 THR A 32 5.729 -10.246 -5.740 1.00 50.00 H new ATOM 0 HG22 THR A 32 5.076 -8.911 -4.761 1.00 50.00 H new ATOM 0 HG23 THR A 32 4.116 -10.391 -5.000 1.00 50.00 H new ATOM 500 N LYS A 33 1.382 -8.359 -8.225 1.00 10.00 N ATOM 501 CA LYS A 33 0.695 -7.819 -9.391 1.00 50.00 C ATOM 502 C LYS A 33 -0.780 -7.575 -9.096 1.00 50.00 C ATOM 503 O LYS A 33 -1.337 -8.139 -8.155 1.00 50.00 O ATOM 504 CB LYS A 33 0.843 -8.764 -10.585 1.00 50.00 C ATOM 505 CG LYS A 33 2.270 -8.913 -11.095 1.00 50.00 C ATOM 506 CD LYS A 33 2.329 -9.819 -12.316 1.00 50.00 C ATOM 507 CE LYS A 33 3.748 -9.944 -12.845 1.00 75.00 C ATOM 508 NZ LYS A 33 3.818 -10.805 -14.057 1.00 75.00 N ATOM 0 H LYS A 33 1.057 -9.281 -7.934 1.00 10.00 H new ATOM 0 HA LYS A 33 1.157 -6.863 -9.637 1.00 50.00 H new ATOM 0 HB2 LYS A 33 0.466 -9.747 -10.304 1.00 50.00 H new ATOM 0 HB3 LYS A 33 0.215 -8.403 -11.399 1.00 50.00 H new ATOM 0 HG2 LYS A 33 2.672 -7.932 -11.348 1.00 50.00 H new ATOM 0 HG3 LYS A 33 2.900 -9.322 -10.305 1.00 50.00 H new ATOM 0 HD2 LYS A 33 1.947 -10.807 -12.057 1.00 50.00 H new ATOM 0 HD3 LYS A 33 1.681 -9.422 -13.098 1.00 50.00 H new ATOM 0 HE2 LYS A 33 4.135 -8.953 -13.082 1.00 75.00 H new ATOM 0 HE3 LYS A 33 4.389 -10.360 -12.068 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 4.803 -10.863 -14.385 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 3.473 -11.758 -13.826 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 3.227 -10.396 -14.808 1.00 75.00 H new ATOM 522 N VAL A 34 -1.408 -6.729 -9.907 1.00 50.00 N ATOM 523 CA VAL A 34 -2.808 -6.373 -9.709 1.00 50.00 C ATOM 524 C VAL A 34 -3.723 -7.555 -10.000 1.00 50.00 C ATOM 525 O VAL A 34 -3.341 -8.490 -10.705 1.00 50.00 O ATOM 526 CB VAL A 34 -3.221 -5.184 -10.596 1.00 50.00 C ATOM 527 CG1 VAL A 34 -2.369 -3.963 -10.282 1.00 50.00 C ATOM 528 CG2 VAL A 34 -3.099 -5.551 -12.068 1.00 50.00 C ATOM 0 H VAL A 34 -0.968 -6.277 -10.709 1.00 50.00 H new ATOM 0 HA VAL A 34 -2.914 -6.085 -8.663 1.00 50.00 H new ATOM 0 HB VAL A 34 -4.263 -4.942 -10.384 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -2.675 -3.133 -10.918 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -2.501 -3.686 -9.236 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -1.320 -4.194 -10.467 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -3.395 -4.700 -12.681 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -2.066 -5.818 -12.292 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -3.749 -6.399 -12.287 1.00 50.00 H new ATOM 538 N ASP A 35 -4.933 -7.508 -9.454 1.00 50.00 N ATOM 539 CA ASP A 35 -5.888 -8.598 -9.613 1.00 50.00 C ATOM 540 C ASP A 35 -7.294 -8.161 -9.221 1.00 50.00 C ATOM 541 O ASP A 35 -7.470 -7.179 -8.502 1.00 50.00 O ATOM 542 CB ASP A 35 -5.464 -9.810 -8.782 1.00 50.00 C ATOM 543 CG ASP A 35 -6.050 -11.134 -9.253 1.00 50.00 C ATOM 544 OD1 ASP A 35 -6.784 -11.128 -10.212 1.00 50.00 O ATOM 545 OD2 ASP A 35 -5.639 -12.154 -8.753 1.00 50.00 O ATOM 0 H ASP A 35 -5.276 -6.726 -8.897 1.00 50.00 H new ATOM 0 HA ASP A 35 -5.899 -8.878 -10.666 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -4.377 -9.883 -8.797 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -5.758 -9.645 -7.746 1.00 50.00 H new ATOM 550 N ASP A 36 -8.291 -8.896 -9.700 1.00 50.00 N ATOM 551 CA ASP A 36 -9.685 -8.580 -9.408 1.00 50.00 C ATOM 552 C ASP A 36 -10.041 -8.933 -7.970 1.00 50.00 C ATOM 553 O ASP A 36 -11.021 -8.427 -7.422 1.00 50.00 O ATOM 554 CB ASP A 36 -10.616 -9.315 -10.376 1.00 50.00 C ATOM 555 CG ASP A 36 -10.606 -8.768 -11.797 1.00 50.00 C ATOM 556 OD1 ASP A 36 -10.090 -7.693 -11.995 1.00 50.00 O ATOM 557 OD2 ASP A 36 -10.971 -9.489 -12.693 1.00 50.00 O ATOM 0 H ASP A 36 -8.160 -9.716 -10.293 1.00 50.00 H new ATOM 0 HA ASP A 36 -9.817 -7.506 -9.537 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -10.334 -10.368 -10.403 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.634 -9.267 -9.989 1.00 50.00 H new ATOM 562 N SER A 37 -9.241 -9.801 -7.364 1.00 50.00 N ATOM 563 CA SER A 37 -9.455 -10.204 -5.978 1.00 50.00 C ATOM 564 C SER A 37 -9.023 -9.109 -5.013 1.00 50.00 C ATOM 565 O SER A 37 -9.370 -9.138 -3.832 1.00 50.00 O ATOM 566 CB SER A 37 -8.708 -11.492 -5.687 1.00 50.00 C ATOM 567 OG SER A 37 -7.319 -11.326 -5.781 1.00 50.00 O ATOM 0 H SER A 37 -8.436 -10.241 -7.811 1.00 50.00 H new ATOM 0 HA SER A 37 -10.522 -10.374 -5.835 1.00 50.00 H new ATOM 0 HB2 SER A 37 -8.964 -11.842 -4.687 1.00 50.00 H new ATOM 0 HB3 SER A 37 -9.029 -12.263 -6.387 1.00 50.00 H new ATOM 0 HG SER A 37 -6.887 -11.744 -5.007 1.00 50.00 H new ATOM 573 N GLN A 38 -8.266 -8.144 -5.522 1.00 50.00 N ATOM 574 CA GLN A 38 -7.771 -7.044 -4.701 1.00 50.00 C ATOM 575 C GLN A 38 -8.668 -5.821 -4.820 1.00 50.00 C ATOM 576 O GLN A 38 -9.345 -5.632 -5.830 1.00 50.00 O ATOM 577 CB GLN A 38 -6.339 -6.678 -5.102 1.00 50.00 C ATOM 578 CG GLN A 38 -5.329 -7.795 -4.898 1.00 50.00 C ATOM 579 CD GLN A 38 -3.938 -7.408 -5.358 1.00 50.00 C ATOM 580 OE1 GLN A 38 -3.194 -6.736 -4.636 1.00 75.00 O ATOM 581 NE2 GLN A 38 -3.576 -7.825 -6.567 1.00 50.00 N ATOM 0 H GLN A 38 -7.981 -8.100 -6.500 1.00 50.00 H new ATOM 0 HA GLN A 38 -7.778 -7.376 -3.663 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.332 -6.384 -6.152 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -6.023 -5.808 -4.525 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -5.298 -8.064 -3.842 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -5.656 -8.680 -5.443 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -4.222 -8.378 -7.130 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -2.652 -7.592 -6.931 1.00 50.00 H new ATOM 590 N PRO A 39 -8.669 -4.990 -3.784 1.00 50.00 N ATOM 591 CA PRO A 39 -9.340 -3.696 -3.837 1.00 50.00 C ATOM 592 C PRO A 39 -8.926 -2.913 -5.076 1.00 50.00 C ATOM 593 O PRO A 39 -7.763 -2.945 -5.483 1.00 50.00 O ATOM 594 CB PRO A 39 -8.913 -2.998 -2.543 1.00 50.00 C ATOM 595 CG PRO A 39 -8.564 -4.113 -1.617 1.00 50.00 C ATOM 596 CD PRO A 39 -7.961 -5.183 -2.490 1.00 50.00 C ATOM 0 HA PRO A 39 -10.424 -3.785 -3.910 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -8.061 -2.339 -2.710 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -9.717 -2.383 -2.139 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -7.858 -3.784 -0.854 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -9.447 -4.482 -1.096 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -6.883 -5.059 -2.596 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -8.128 -6.180 -2.082 1.00 50.00 H new ATOM 604 N ALA A 40 -9.882 -2.208 -5.673 1.00 50.00 N ATOM 605 CA ALA A 40 -9.583 -1.262 -6.741 1.00 50.00 C ATOM 606 C ALA A 40 -8.445 -0.330 -6.349 1.00 50.00 C ATOM 607 O ALA A 40 -7.566 -0.033 -7.158 1.00 50.00 O ATOM 608 CB ALA A 40 -10.826 -0.464 -7.103 1.00 50.00 C ATOM 0 H ALA A 40 -10.871 -2.275 -5.434 1.00 50.00 H new ATOM 0 HA ALA A 40 -9.264 -1.829 -7.615 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.588 0.238 -7.902 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.609 -1.143 -7.439 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -11.173 0.086 -6.228 1.00 50.00 H new ATOM 614 N PHE A 41 -8.465 0.128 -5.102 1.00 50.00 N ATOM 615 CA PHE A 41 -7.394 0.967 -4.575 1.00 50.00 C ATOM 616 C PHE A 41 -6.038 0.291 -4.734 1.00 50.00 C ATOM 617 O PHE A 41 -5.090 0.892 -5.238 1.00 50.00 O ATOM 618 CB PHE A 41 -7.650 1.296 -3.104 1.00 50.00 C ATOM 619 CG PHE A 41 -8.821 2.211 -2.882 1.00 50.00 C ATOM 620 CD1 PHE A 41 -9.321 2.984 -3.917 1.00 75.00 C ATOM 621 CD2 PHE A 41 -9.425 2.299 -1.636 1.00 75.00 C ATOM 622 CE1 PHE A 41 -10.399 3.826 -3.714 1.00 75.00 C ATOM 623 CE2 PHE A 41 -10.502 3.137 -1.430 1.00 75.00 C ATOM 624 CZ PHE A 41 -10.989 3.902 -2.470 1.00 75.00 C ATOM 0 H PHE A 41 -9.212 -0.068 -4.436 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.381 1.894 -5.148 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -7.817 0.368 -2.558 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -6.756 1.757 -2.683 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -8.864 2.928 -4.894 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -9.048 1.704 -0.817 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -10.779 4.424 -4.529 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -10.963 3.194 -0.455 1.00 75.00 H new ATOM 0 HZ PHE A 41 -11.831 4.559 -2.310 1.00 75.00 H new ATOM 634 N ILE A 42 -5.953 -0.962 -4.302 1.00 50.00 N ATOM 635 CA ILE A 42 -4.687 -1.685 -4.295 1.00 50.00 C ATOM 636 C ILE A 42 -4.186 -1.930 -5.713 1.00 10.00 C ATOM 637 O ILE A 42 -2.980 -1.952 -5.960 1.00 50.00 O ATOM 638 CB ILE A 42 -4.811 -3.035 -3.564 1.00 50.00 C ATOM 639 CG1 ILE A 42 -5.159 -2.814 -2.090 1.00 50.00 C ATOM 640 CG2 ILE A 42 -3.524 -3.832 -3.698 1.00 50.00 C ATOM 641 CD1 ILE A 42 -4.152 -1.967 -1.346 1.00 50.00 C ATOM 0 H ILE A 42 -6.747 -1.499 -3.952 1.00 50.00 H new ATOM 0 HA ILE A 42 -3.971 -1.059 -3.763 1.00 50.00 H new ATOM 0 HB ILE A 42 -5.617 -3.606 -4.025 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -6.138 -2.339 -2.025 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -5.241 -3.782 -1.596 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -3.629 -4.783 -3.176 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -3.319 -4.018 -4.752 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -2.700 -3.268 -3.262 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -4.467 -1.855 -0.308 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -3.175 -2.450 -1.379 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -4.087 -0.985 -1.814 1.00 50.00 H new ATOM 653 N ASN A 43 -5.119 -2.112 -6.641 1.00 10.00 N ATOM 654 CA ASN A 43 -4.775 -2.301 -8.046 1.00 10.00 C ATOM 655 C ASN A 43 -4.148 -1.044 -8.633 1.00 10.00 C ATOM 656 O ASN A 43 -3.092 -1.100 -9.263 1.00 50.00 O ATOM 657 CB ASN A 43 -5.984 -2.715 -8.863 1.00 50.00 C ATOM 658 CG ASN A 43 -6.408 -4.140 -8.638 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.615 -4.983 -8.199 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.626 -4.434 -9.016 1.00 50.00 N ATOM 0 H ASN A 43 -6.120 -2.133 -6.446 1.00 10.00 H new ATOM 0 HA ASN A 43 -4.042 -3.106 -8.092 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.817 -2.055 -8.622 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.762 -2.574 -9.921 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -7.961 -5.396 -8.956 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -8.241 -3.701 -9.371 1.00 50.00 H new ATOM 667 N ASP A 44 -4.805 0.092 -8.424 1.00 10.00 N ATOM 668 CA ASP A 44 -4.267 1.379 -8.850 1.00 10.00 C ATOM 669 C ASP A 44 -2.882 1.617 -8.261 1.00 10.00 C ATOM 670 O ASP A 44 -1.958 2.022 -8.966 1.00 50.00 O ATOM 671 CB ASP A 44 -5.210 2.514 -8.448 1.00 50.00 C ATOM 672 CG ASP A 44 -6.490 2.588 -9.272 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.560 1.932 -10.284 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.438 3.172 -8.805 1.00 50.00 O ATOM 0 H ASP A 44 -5.712 0.148 -7.961 1.00 10.00 H new ATOM 0 HA ASP A 44 -4.179 1.361 -9.936 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.475 2.396 -7.397 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.678 3.461 -8.538 1.00 50.00 H new ATOM 679 N ILE A 45 -2.744 1.363 -6.963 1.00 10.00 N ATOM 680 CA ILE A 45 -1.492 1.623 -6.261 1.00 10.00 C ATOM 681 C ILE A 45 -0.348 0.815 -6.860 1.00 10.00 C ATOM 682 O ILE A 45 0.751 1.333 -7.060 1.00 50.00 O ATOM 683 CB ILE A 45 -1.608 1.296 -4.760 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.546 2.288 -4.069 1.00 50.00 C ATOM 685 CG2 ILE A 45 -0.236 1.308 -4.106 1.00 50.00 C ATOM 686 CD1 ILE A 45 -2.991 1.851 -2.693 1.00 50.00 C ATOM 0 H ILE A 45 -3.484 0.977 -6.376 1.00 10.00 H new ATOM 0 HA ILE A 45 -1.281 2.686 -6.376 1.00 10.00 H new ATOM 0 HB ILE A 45 -2.028 0.296 -4.654 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -2.044 3.252 -3.989 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.426 2.437 -4.695 1.00 50.00 H new ATOM 0 HG21 ILE A 45 -0.336 1.075 -3.046 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.401 0.563 -4.583 1.00 50.00 H new ATOM 0 HG23 ILE A 45 0.213 2.295 -4.220 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -3.653 2.605 -2.268 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -3.522 0.902 -2.767 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -2.119 1.730 -2.050 1.00 50.00 H new ATOM 698 N LEU A 46 -0.610 -0.454 -7.145 1.00 10.00 N ATOM 699 CA LEU A 46 0.384 -1.324 -7.763 1.00 10.00 C ATOM 700 C LEU A 46 0.825 -0.782 -9.116 1.00 10.00 C ATOM 701 O LEU A 46 1.993 -0.889 -9.488 1.00 50.00 O ATOM 702 CB LEU A 46 -0.174 -2.745 -7.910 1.00 50.00 C ATOM 703 CG LEU A 46 -0.282 -3.543 -6.606 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.080 -4.820 -6.840 1.00 50.00 C ATOM 705 CD2 LEU A 46 1.112 -3.866 -6.088 1.00 50.00 C ATOM 0 H LEU A 46 -1.505 -0.905 -6.958 1.00 10.00 H new ATOM 0 HA LEU A 46 1.259 -1.354 -7.114 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.164 -2.684 -8.363 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.460 -3.297 -8.603 1.00 50.00 H new ATOM 0 HG LEU A 46 -0.804 -2.946 -5.858 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.151 -5.380 -5.908 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.081 -4.565 -7.188 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -0.579 -5.429 -7.592 1.00 50.00 H new ATOM 0 HD21 LEU A 46 1.033 -4.433 -5.161 1.00 50.00 H new ATOM 0 HD22 LEU A 46 1.648 -4.457 -6.831 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.655 -2.939 -5.901 1.00 50.00 H new ATOM 717 N LYS A 47 -0.117 -0.199 -9.849 1.00 10.00 N ATOM 718 CA LYS A 47 0.165 0.334 -11.177 1.00 10.00 C ATOM 719 C LYS A 47 0.976 1.621 -11.090 1.00 10.00 C ATOM 720 O LYS A 47 1.667 1.994 -12.038 1.00 50.00 O ATOM 721 CB LYS A 47 -1.135 0.581 -11.942 1.00 50.00 C ATOM 722 CG LYS A 47 -1.871 -0.684 -12.359 1.00 50.00 C ATOM 723 CD LYS A 47 -3.148 -0.358 -13.119 1.00 50.00 C ATOM 724 CE LYS A 47 -3.885 -1.624 -13.532 1.00 50.00 C ATOM 725 NZ LYS A 47 -5.126 -1.320 -14.293 1.00 50.00 N ATOM 0 H LYS A 47 -1.084 -0.083 -9.546 1.00 10.00 H new ATOM 0 HA LYS A 47 0.756 -0.406 -11.717 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.798 1.184 -11.322 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -0.912 1.167 -12.833 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -1.220 -1.296 -12.983 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -2.112 -1.274 -11.475 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -3.798 0.256 -12.496 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -2.907 0.230 -14.005 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -3.228 -2.244 -14.142 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -4.137 -2.204 -12.644 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -5.599 -2.208 -14.556 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -5.764 -0.750 -13.702 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -4.884 -0.789 -15.154 1.00 50.00 H new ATOM 739 N VAL A 48 0.886 2.296 -9.949 1.00 10.00 N ATOM 740 CA VAL A 48 1.684 3.490 -9.700 1.00 10.00 C ATOM 741 C VAL A 48 3.170 3.161 -9.663 1.00 10.00 C ATOM 742 O VAL A 48 3.606 2.301 -8.897 1.00 50.00 O ATOM 743 CB VAL A 48 1.286 4.171 -8.377 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.246 5.306 -8.052 1.00 50.00 C ATOM 745 CG2 VAL A 48 -0.143 4.690 -8.455 1.00 50.00 C ATOM 0 H VAL A 48 0.267 2.036 -9.181 1.00 10.00 H new ATOM 0 HA VAL A 48 1.487 4.176 -10.524 1.00 10.00 H new ATOM 0 HB VAL A 48 1.343 3.432 -7.578 1.00 50.00 H new ATOM 0 HG11 VAL A 48 1.950 5.776 -7.114 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.257 4.911 -7.956 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.220 6.045 -8.852 1.00 50.00 H new ATOM 0 HG21 VAL A 48 -0.408 5.168 -7.512 1.00 50.00 H new ATOM 0 HG22 VAL A 48 -0.223 5.415 -9.265 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.822 3.859 -8.644 1.00 50.00 H new ATOM 755 N GLU A 49 3.944 3.851 -10.494 1.00 10.00 N ATOM 756 CA GLU A 49 5.380 3.611 -10.579 1.00 10.00 C ATOM 757 C GLU A 49 6.052 3.806 -9.226 1.00 10.00 C ATOM 758 O GLU A 49 5.848 4.824 -8.562 1.00 50.00 O ATOM 759 CB GLU A 49 6.016 4.536 -11.619 1.00 50.00 C ATOM 760 CG GLU A 49 7.505 4.307 -11.836 1.00 50.00 C ATOM 761 CD GLU A 49 8.049 5.219 -12.901 1.00 50.00 C ATOM 762 OE1 GLU A 49 7.285 5.966 -13.463 1.00 50.00 O ATOM 763 OE2 GLU A 49 9.245 5.252 -13.073 1.00 50.00 O ATOM 0 H GLU A 49 3.601 4.581 -11.118 1.00 10.00 H new ATOM 0 HA GLU A 49 5.528 2.576 -10.887 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.498 4.405 -12.569 1.00 50.00 H new ATOM 0 HB3 GLU A 49 5.861 5.570 -11.311 1.00 50.00 H new ATOM 0 HG2 GLU A 49 8.041 4.475 -10.902 1.00 50.00 H new ATOM 0 HG3 GLU A 49 7.678 3.269 -12.120 1.00 50.00 H new ATOM 770 N GLY A 50 6.853 2.827 -8.822 1.00 10.00 N ATOM 771 CA GLY A 50 7.594 2.911 -7.568 1.00 10.00 C ATOM 772 C GLY A 50 7.170 1.813 -6.602 1.00 10.00 C ATOM 773 O GLY A 50 7.966 1.346 -5.788 1.00 50.00 O ATOM 0 H GLY A 50 7.006 1.965 -9.345 1.00 10.00 H new ATOM 0 HA2 GLY A 50 8.662 2.830 -7.768 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.428 3.886 -7.110 1.00 10.00 H new ATOM 777 N VAL A 51 5.908 1.404 -6.697 1.00 10.00 N ATOM 778 CA VAL A 51 5.370 0.372 -5.818 1.00 10.00 C ATOM 779 C VAL A 51 5.775 -1.017 -6.291 1.00 10.00 C ATOM 780 O VAL A 51 5.531 -1.390 -7.438 1.00 50.00 O ATOM 781 CB VAL A 51 3.834 0.447 -5.733 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.292 -0.683 -4.871 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.397 1.794 -5.179 1.00 50.00 C ATOM 0 H VAL A 51 5.239 1.772 -7.374 1.00 10.00 H new ATOM 0 HA VAL A 51 5.788 0.552 -4.828 1.00 10.00 H new ATOM 0 HB VAL A 51 3.428 0.339 -6.739 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.205 -0.614 -4.822 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.576 -1.641 -5.306 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.706 -0.605 -3.866 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.309 1.830 -5.126 1.00 50.00 H new ATOM 0 HG22 VAL A 51 3.814 1.930 -4.181 1.00 50.00 H new ATOM 0 HG23 VAL A 51 3.755 2.590 -5.833 1.00 50.00 H new ATOM 793 N LYS A 52 6.396 -1.783 -5.400 1.00 10.00 N ATOM 794 CA LYS A 52 6.930 -3.092 -5.752 1.00 10.00 C ATOM 795 C LYS A 52 5.938 -4.200 -5.419 1.00 10.00 C ATOM 796 O LYS A 52 5.522 -4.958 -6.295 1.00 50.00 O ATOM 797 CB LYS A 52 8.256 -3.342 -5.034 1.00 50.00 C ATOM 798 CG LYS A 52 8.929 -4.658 -5.395 1.00 50.00 C ATOM 799 CD LYS A 52 10.259 -4.818 -4.673 1.00 50.00 C ATOM 800 CE LYS A 52 10.943 -6.124 -5.049 1.00 50.00 C ATOM 801 NZ LYS A 52 12.269 -6.268 -4.391 1.00 50.00 N ATOM 0 H LYS A 52 6.542 -1.518 -4.426 1.00 10.00 H new ATOM 0 HA LYS A 52 7.104 -3.101 -6.828 1.00 10.00 H new ATOM 0 HB2 LYS A 52 8.939 -2.524 -5.263 1.00 50.00 H new ATOM 0 HB3 LYS A 52 8.082 -3.320 -3.958 1.00 50.00 H new ATOM 0 HG2 LYS A 52 8.271 -5.488 -5.137 1.00 50.00 H new ATOM 0 HG3 LYS A 52 9.090 -4.702 -6.472 1.00 50.00 H new ATOM 0 HD2 LYS A 52 10.911 -3.980 -4.919 1.00 50.00 H new ATOM 0 HD3 LYS A 52 10.095 -4.789 -3.596 1.00 50.00 H new ATOM 0 HE2 LYS A 52 10.305 -6.962 -4.767 1.00 50.00 H new ATOM 0 HE3 LYS A 52 11.068 -6.169 -6.131 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 12.701 -7.171 -4.674 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.887 -5.483 -4.680 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 12.148 -6.251 -3.358 1.00 50.00 H new ATOM 815 N SER A 53 5.562 -4.287 -4.147 1.00 10.00 N ATOM 816 CA SER A 53 4.653 -5.331 -3.687 1.00 10.00 C ATOM 817 C SER A 53 3.780 -4.834 -2.542 1.00 10.00 C ATOM 818 O SER A 53 4.152 -3.911 -1.820 1.00 50.00 O ATOM 819 CB SER A 53 5.439 -6.556 -3.260 1.00 50.00 C ATOM 820 OG SER A 53 6.232 -6.305 -2.132 1.00 50.00 O ATOM 0 H SER A 53 5.873 -3.647 -3.416 1.00 10.00 H new ATOM 0 HA SER A 53 3.998 -5.601 -4.515 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.749 -7.372 -3.044 1.00 50.00 H new ATOM 0 HB3 SER A 53 6.073 -6.885 -4.083 1.00 50.00 H new ATOM 0 HG SER A 53 6.721 -7.119 -1.888 1.00 50.00 H new ATOM 826 N ILE A 54 2.615 -5.454 -2.383 1.00 10.00 N ATOM 827 CA ILE A 54 1.678 -5.063 -1.337 1.00 10.00 C ATOM 828 C ILE A 54 1.156 -6.279 -0.583 1.00 10.00 C ATOM 829 O ILE A 54 0.719 -7.258 -1.190 1.00 50.00 O ATOM 830 CB ILE A 54 0.487 -4.278 -1.914 1.00 50.00 C ATOM 831 CG1 ILE A 54 0.963 -2.959 -2.527 1.00 50.00 C ATOM 832 CG2 ILE A 54 -0.554 -4.021 -0.833 1.00 50.00 C ATOM 833 CD1 ILE A 54 -0.146 -2.137 -3.144 1.00 50.00 C ATOM 0 H ILE A 54 2.298 -6.229 -2.965 1.00 10.00 H new ATOM 0 HA ILE A 54 2.225 -4.421 -0.647 1.00 10.00 H new ATOM 0 HB ILE A 54 0.026 -4.876 -2.700 1.00 50.00 H new ATOM 0 HG12 ILE A 54 1.455 -2.367 -1.755 1.00 50.00 H new ATOM 0 HG13 ILE A 54 1.711 -3.173 -3.290 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.390 -3.465 -1.258 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -0.913 -4.972 -0.440 1.00 50.00 H new ATOM 0 HG23 ILE A 54 -0.105 -3.442 -0.026 1.00 50.00 H new ATOM 0 HD11 ILE A 54 0.269 -1.218 -3.557 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -0.624 -2.709 -3.939 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -0.884 -1.891 -2.381 1.00 50.00 H new ATOM 845 N PHE A 55 1.204 -6.212 0.743 1.00 10.00 N ATOM 846 CA PHE A 55 0.591 -7.232 1.585 1.00 10.00 C ATOM 847 C PHE A 55 -0.577 -6.662 2.379 1.00 10.00 C ATOM 848 O PHE A 55 -0.439 -5.650 3.065 1.00 50.00 O ATOM 849 CB PHE A 55 1.628 -7.835 2.533 1.00 50.00 C ATOM 850 CG PHE A 55 1.040 -8.744 3.576 1.00 50.00 C ATOM 851 CD1 PHE A 55 0.406 -9.922 3.211 1.00 50.00 C ATOM 852 CD2 PHE A 55 1.119 -8.422 4.921 1.00 50.00 C ATOM 853 CE1 PHE A 55 -0.136 -10.759 4.169 1.00 50.00 C ATOM 854 CE2 PHE A 55 0.580 -9.256 5.882 1.00 50.00 C ATOM 855 CZ PHE A 55 -0.048 -10.426 5.504 1.00 50.00 C ATOM 0 H PHE A 55 1.662 -5.460 1.258 1.00 10.00 H new ATOM 0 HA PHE A 55 0.208 -8.017 0.934 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.360 -8.393 1.949 1.00 50.00 H new ATOM 0 HB3 PHE A 55 2.166 -7.027 3.030 1.00 50.00 H new ATOM 0 HD1 PHE A 55 0.335 -10.189 2.167 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.608 -7.507 5.222 1.00 50.00 H new ATOM 0 HE1 PHE A 55 -0.628 -11.673 3.872 1.00 50.00 H new ATOM 0 HE2 PHE A 55 0.650 -8.993 6.927 1.00 50.00 H new ATOM 0 HZ PHE A 55 -0.470 -11.080 6.253 1.00 50.00 H new ATOM 865 N HIS A 56 -1.728 -7.319 2.281 1.00 10.00 N ATOM 866 CA HIS A 56 -2.917 -6.893 3.010 1.00 10.00 C ATOM 867 C HIS A 56 -3.246 -7.859 4.141 1.00 10.00 C ATOM 868 O HIS A 56 -3.146 -9.075 3.981 1.00 50.00 O ATOM 869 CB HIS A 56 -4.116 -6.767 2.064 1.00 50.00 C ATOM 870 CG HIS A 56 -5.381 -6.350 2.748 1.00 50.00 C ATOM 871 ND1 HIS A 56 -6.149 -7.225 3.489 1.00 50.00 N ATOM 872 CD2 HIS A 56 -6.013 -5.155 2.803 1.00 50.00 C ATOM 873 CE1 HIS A 56 -7.199 -6.584 3.971 1.00 50.00 C ATOM 874 NE2 HIS A 56 -7.139 -5.327 3.569 1.00 50.00 N ATOM 0 H HIS A 56 -1.863 -8.149 1.704 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.705 -5.916 3.444 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -3.879 -6.042 1.285 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -4.279 -7.724 1.569 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -5.692 -4.238 2.332 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -7.974 -7.014 4.588 1.00 50.00 H new ATOM 0 HE2 HIS A 56 -7.820 -4.601 3.792 1.00 50.00 H new ATOM 882 N VAL A 57 -3.640 -7.310 5.285 1.00 10.00 N ATOM 883 CA VAL A 57 -4.110 -8.121 6.403 1.00 10.00 C ATOM 884 C VAL A 57 -4.969 -7.300 7.356 1.00 10.00 C ATOM 885 O VAL A 57 -4.651 -6.150 7.658 1.00 50.00 O ATOM 886 CB VAL A 57 -2.936 -8.738 7.187 1.00 50.00 C ATOM 887 CG1 VAL A 57 -2.011 -7.646 7.705 1.00 50.00 C ATOM 888 CG2 VAL A 57 -3.452 -9.588 8.338 1.00 50.00 C ATOM 0 H VAL A 57 -3.643 -6.306 5.463 1.00 10.00 H new ATOM 0 HA VAL A 57 -4.712 -8.924 5.977 1.00 10.00 H new ATOM 0 HB VAL A 57 -2.370 -9.380 6.512 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -1.187 -8.099 8.257 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -1.615 -7.076 6.865 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -2.567 -6.981 8.365 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -2.609 -10.016 8.881 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -4.041 -8.967 9.013 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -4.076 -10.391 7.946 1.00 50.00 H new ATOM 898 N MET A 58 -6.059 -7.898 7.826 1.00 10.00 N ATOM 899 CA MET A 58 -6.958 -7.229 8.758 1.00 10.00 C ATOM 900 C MET A 58 -7.442 -5.898 8.198 1.00 10.00 C ATOM 901 O MET A 58 -8.120 -5.856 7.171 1.00 50.00 O ATOM 902 CB MET A 58 -6.263 -7.016 10.101 1.00 50.00 C ATOM 903 CG MET A 58 -6.067 -8.286 10.917 1.00 50.00 C ATOM 904 SD MET A 58 -5.020 -8.028 12.363 1.00 75.00 S ATOM 905 CE MET A 58 -6.082 -7.001 13.371 1.00 75.00 C ATOM 0 H MET A 58 -6.341 -8.846 7.576 1.00 10.00 H new ATOM 0 HA MET A 58 -7.828 -7.869 8.905 1.00 10.00 H new ATOM 0 HB2 MET A 58 -5.289 -6.559 9.924 1.00 50.00 H new ATOM 0 HB3 MET A 58 -6.846 -6.307 10.689 1.00 50.00 H new ATOM 0 HG2 MET A 58 -7.039 -8.660 11.239 1.00 50.00 H new ATOM 0 HG3 MET A 58 -5.623 -9.055 10.284 1.00 50.00 H new ATOM 0 HE1 MET A 58 -5.644 -6.888 14.363 1.00 75.00 H new ATOM 0 HE2 MET A 58 -6.187 -6.020 12.907 1.00 75.00 H new ATOM 0 HE3 MET A 58 -7.063 -7.468 13.459 1.00 75.00 H new ATOM 915 N ASP A 59 -7.089 -4.813 8.877 1.00 10.00 N ATOM 916 CA ASP A 59 -7.625 -3.496 8.551 1.00 10.00 C ATOM 917 C ASP A 59 -6.508 -2.508 8.243 1.00 10.00 C ATOM 918 O ASP A 59 -6.655 -1.305 8.457 1.00 50.00 O ATOM 919 CB ASP A 59 -8.492 -2.971 9.697 1.00 50.00 C ATOM 920 CG ASP A 59 -7.749 -2.785 11.014 1.00 50.00 C ATOM 921 OD1 ASP A 59 -6.597 -3.144 11.079 1.00 75.00 O ATOM 922 OD2 ASP A 59 -8.282 -2.148 11.891 1.00 50.00 O ATOM 0 H ASP A 59 -6.433 -4.819 9.658 1.00 10.00 H new ATOM 0 HA ASP A 59 -8.243 -3.599 7.659 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -8.925 -2.016 9.400 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -9.320 -3.661 9.856 1.00 50.00 H new ATOM 927 N PHE A 60 -5.391 -3.022 7.741 1.00 10.00 N ATOM 928 CA PHE A 60 -4.271 -2.179 7.343 1.00 10.00 C ATOM 929 C PHE A 60 -3.491 -2.807 6.193 1.00 10.00 C ATOM 930 O PHE A 60 -3.563 -4.014 5.968 1.00 50.00 O ATOM 931 CB PHE A 60 -3.342 -1.927 8.531 1.00 50.00 C ATOM 932 CG PHE A 60 -2.656 -3.163 9.038 1.00 50.00 C ATOM 933 CD1 PHE A 60 -3.248 -3.955 10.009 1.00 50.00 C ATOM 934 CD2 PHE A 60 -1.415 -3.537 8.543 1.00 50.00 C ATOM 935 CE1 PHE A 60 -2.618 -5.092 10.476 1.00 50.00 C ATOM 936 CE2 PHE A 60 -0.782 -4.674 9.009 1.00 50.00 C ATOM 937 CZ PHE A 60 -1.384 -5.452 9.975 1.00 50.00 C ATOM 0 H PHE A 60 -5.237 -4.020 7.600 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.676 -1.226 7.001 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.587 -1.197 8.241 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -3.918 -1.484 9.343 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -4.214 -3.680 10.406 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -0.938 -2.933 7.785 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -3.091 -5.699 11.233 1.00 50.00 H new ATOM 0 HE2 PHE A 60 0.185 -4.953 8.616 1.00 50.00 H new ATOM 0 HZ PHE A 60 -0.891 -6.341 10.339 1.00 50.00 H new ATOM 947 N ILE A 61 -2.746 -1.978 5.469 1.00 10.00 N ATOM 948 CA ILE A 61 -1.995 -2.441 4.308 1.00 10.00 C ATOM 949 C ILE A 61 -0.504 -2.172 4.474 1.00 10.00 C ATOM 950 O ILE A 61 -0.104 -1.095 4.916 1.00 50.00 O ATOM 951 CB ILE A 61 -2.486 -1.770 3.012 1.00 50.00 C ATOM 952 CG1 ILE A 61 -3.911 -2.224 2.685 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.546 -2.085 1.861 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.984 -1.305 3.221 1.00 50.00 C ATOM 0 H ILE A 61 -2.646 -0.982 5.666 1.00 10.00 H new ATOM 0 HA ILE A 61 -2.162 -3.516 4.235 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.494 -0.690 3.161 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -4.018 -2.300 1.603 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.066 -3.223 3.092 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -1.908 -1.603 0.953 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.548 -1.715 2.095 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.507 -3.164 1.708 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.965 -1.694 2.949 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -4.905 -1.248 4.307 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -4.857 -0.310 2.795 1.00 50.00 H new ATOM 966 N SER A 62 0.312 -3.156 4.117 1.00 10.00 N ATOM 967 CA SER A 62 1.758 -2.971 4.065 1.00 10.00 C ATOM 968 C SER A 62 2.235 -2.756 2.634 1.00 10.00 C ATOM 969 O SER A 62 2.213 -3.677 1.818 1.00 50.00 O ATOM 970 CB SER A 62 2.459 -4.165 4.683 1.00 50.00 C ATOM 971 OG SER A 62 3.854 -4.053 4.607 1.00 50.00 O ATOM 0 H SER A 62 -0.003 -4.091 3.859 1.00 10.00 H new ATOM 0 HA SER A 62 2.007 -2.078 4.638 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.159 -4.261 5.727 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.140 -5.075 4.175 1.00 50.00 H new ATOM 0 HG SER A 62 4.268 -4.841 5.017 1.00 50.00 H new ATOM 977 N VAL A 63 2.665 -1.535 2.336 1.00 10.00 N ATOM 978 CA VAL A 63 3.064 -1.172 0.982 1.00 10.00 C ATOM 979 C VAL A 63 4.579 -1.087 0.859 1.00 10.00 C ATOM 980 O VAL A 63 5.223 -0.285 1.535 1.00 50.00 O ATOM 981 CB VAL A 63 2.447 0.171 0.551 1.00 50.00 C ATOM 982 CG1 VAL A 63 2.905 0.542 -0.850 1.00 50.00 C ATOM 983 CG2 VAL A 63 0.929 0.106 0.615 1.00 50.00 C ATOM 0 H VAL A 63 2.746 -0.779 3.016 1.00 10.00 H new ATOM 0 HA VAL A 63 2.693 -1.958 0.324 1.00 10.00 H new ATOM 0 HB VAL A 63 2.788 0.943 1.241 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.459 1.494 -1.138 1.00 50.00 H new ATOM 0 HG12 VAL A 63 3.991 0.630 -0.866 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.593 -0.232 -1.552 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.510 1.064 0.307 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.570 -0.678 -0.052 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.617 -0.115 1.636 1.00 50.00 H new ATOM 993 N ASP A 64 5.145 -1.920 -0.008 1.00 10.00 N ATOM 994 CA ASP A 64 6.592 -1.988 -0.173 1.00 10.00 C ATOM 995 C ASP A 64 7.015 -1.459 -1.538 1.00 10.00 C ATOM 996 O ASP A 64 6.607 -1.987 -2.572 1.00 50.00 O ATOM 997 CB ASP A 64 7.086 -3.423 0.012 1.00 50.00 C ATOM 998 CG ASP A 64 8.598 -3.588 -0.095 1.00 50.00 C ATOM 999 OD1 ASP A 64 9.261 -2.619 -0.379 1.00 50.00 O ATOM 1000 OD2 ASP A 64 9.087 -4.632 0.262 1.00 50.00 O ATOM 0 H ASP A 64 4.622 -2.558 -0.608 1.00 10.00 H new ATOM 0 HA ASP A 64 7.045 -1.358 0.592 1.00 10.00 H new ATOM 0 HB2 ASP A 64 6.762 -3.783 0.989 1.00 50.00 H new ATOM 0 HB3 ASP A 64 6.610 -4.057 -0.736 1.00 50.00 H new ATOM 1005 N LYS A 65 7.838 -0.415 -1.534 1.00 10.00 N ATOM 1006 CA LYS A 65 8.300 0.199 -2.772 1.00 10.00 C ATOM 1007 C LYS A 65 9.691 -0.294 -3.147 1.00 10.00 C ATOM 1008 O LYS A 65 10.389 -0.891 -2.328 1.00 50.00 O ATOM 1009 CB LYS A 65 8.301 1.724 -2.645 1.00 50.00 C ATOM 1010 CG LYS A 65 9.044 2.252 -1.425 1.00 50.00 C ATOM 1011 CD LYS A 65 10.550 2.108 -1.589 1.00 50.00 C ATOM 1012 CE LYS A 65 11.296 2.701 -0.401 1.00 50.00 C ATOM 1013 NZ LYS A 65 11.366 4.185 -0.473 1.00 50.00 N ATOM 0 H LYS A 65 8.198 0.023 -0.686 1.00 10.00 H new ATOM 0 HA LYS A 65 7.610 -0.091 -3.565 1.00 10.00 H new ATOM 0 HB2 LYS A 65 8.750 2.151 -3.542 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.269 2.074 -2.607 1.00 50.00 H new ATOM 0 HG2 LYS A 65 8.792 3.301 -1.269 1.00 50.00 H new ATOM 0 HG3 LYS A 65 8.719 1.710 -0.536 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.807 1.054 -1.693 1.00 50.00 H new ATOM 0 HD3 LYS A 65 10.867 2.606 -2.505 1.00 50.00 H new ATOM 0 HE2 LYS A 65 10.799 2.406 0.523 1.00 50.00 H new ATOM 0 HE3 LYS A 65 12.306 2.291 -0.365 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 11.981 4.541 0.287 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 11.755 4.470 -1.395 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 10.412 4.583 -0.362 1.00 50.00 H new ATOM 1027 N GLU A 66 10.089 -0.043 -4.390 1.00 10.00 N ATOM 1028 CA GLU A 66 11.383 -0.493 -4.886 1.00 10.00 C ATOM 1029 C GLU A 66 12.523 0.280 -4.236 1.00 10.00 C ATOM 1030 O GLU A 66 12.339 1.409 -3.782 1.00 50.00 O ATOM 1031 CB GLU A 66 11.452 -0.352 -6.409 1.00 50.00 C ATOM 1032 CG GLU A 66 10.535 -1.300 -7.169 1.00 50.00 C ATOM 1033 CD GLU A 66 10.719 -1.162 -8.656 1.00 50.00 C ATOM 1034 OE1 GLU A 66 11.497 -0.335 -9.064 1.00 50.00 O ATOM 1035 OE2 GLU A 66 10.168 -1.958 -9.378 1.00 50.00 O ATOM 0 H GLU A 66 9.532 0.471 -5.073 1.00 10.00 H new ATOM 0 HA GLU A 66 11.492 -1.545 -4.623 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.199 0.673 -6.679 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.479 -0.522 -6.732 1.00 50.00 H new ATOM 0 HG2 GLU A 66 10.741 -2.327 -6.869 1.00 50.00 H new ATOM 0 HG3 GLU A 66 9.497 -1.093 -6.908 1.00 50.00 H new ATOM 1042 N ASN A 67 13.700 -0.333 -4.197 1.00 10.00 N ATOM 1043 CA ASN A 67 14.849 0.256 -3.519 1.00 10.00 C ATOM 1044 C ASN A 67 15.163 1.640 -4.070 1.00 10.00 C ATOM 1045 O ASN A 67 15.511 2.554 -3.321 1.00 50.00 O ATOM 1046 CB ASN A 67 16.071 -0.637 -3.618 1.00 50.00 C ATOM 1047 CG ASN A 67 15.998 -1.863 -2.750 1.00 50.00 C ATOM 1048 OD1 ASN A 67 15.211 -1.927 -1.798 1.00 50.00 O ATOM 1049 ND2 ASN A 67 16.867 -2.802 -3.024 1.00 50.00 N ATOM 0 H ASN A 67 13.884 -1.239 -4.628 1.00 10.00 H new ATOM 0 HA ASN A 67 14.585 0.355 -2.466 1.00 10.00 H new ATOM 0 HB2 ASN A 67 16.202 -0.945 -4.655 1.00 50.00 H new ATOM 0 HB3 ASN A 67 16.954 -0.060 -3.343 1.00 50.00 H new ATOM 0 HD21 ASN A 67 16.917 -3.636 -2.440 1.00 50.00 H new ATOM 0 HD22 ASN A 67 17.494 -2.700 -3.822 1.00 50.00 H new ATOM 1056 N ASP A 68 15.039 1.791 -5.384 1.00 10.00 N ATOM 1057 CA ASP A 68 15.281 3.072 -6.035 1.00 10.00 C ATOM 1058 C ASP A 68 14.194 4.082 -5.688 1.00 10.00 C ATOM 1059 O ASP A 68 14.476 5.257 -5.453 1.00 50.00 O ATOM 1060 CB ASP A 68 15.369 2.895 -7.553 1.00 50.00 C ATOM 1061 CG ASP A 68 16.646 2.219 -8.035 1.00 50.00 C ATOM 1062 OD1 ASP A 68 17.562 2.100 -7.256 1.00 50.00 O ATOM 1063 OD2 ASP A 68 16.642 1.688 -9.120 1.00 50.00 O ATOM 0 H ASP A 68 14.772 1.040 -6.020 1.00 10.00 H new ATOM 0 HA ASP A 68 16.233 3.456 -5.668 1.00 10.00 H new ATOM 0 HB2 ASP A 68 14.513 2.309 -7.888 1.00 50.00 H new ATOM 0 HB3 ASP A 68 15.290 3.874 -8.026 1.00 50.00 H new ATOM 1068 N ALA A 69 12.951 3.616 -5.658 1.00 10.00 N ATOM 1069 CA ALA A 69 11.811 4.489 -5.406 1.00 10.00 C ATOM 1070 C ALA A 69 11.934 5.177 -4.052 1.00 10.00 C ATOM 1071 O ALA A 69 12.476 4.610 -3.104 1.00 50.00 O ATOM 1072 CB ALA A 69 10.510 3.703 -5.489 1.00 50.00 C ATOM 0 H ALA A 69 12.707 2.637 -5.805 1.00 10.00 H new ATOM 0 HA ALA A 69 11.802 5.261 -6.175 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.669 4.370 -5.298 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.410 3.269 -6.484 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.518 2.907 -4.744 1.00 50.00 H new ATOM 1078 N ASN A 70 11.426 6.402 -3.967 1.00 10.00 N ATOM 1079 CA ASN A 70 11.422 7.146 -2.713 1.00 10.00 C ATOM 1080 C ASN A 70 10.001 7.407 -2.232 1.00 10.00 C ATOM 1081 O ASN A 70 9.081 7.557 -3.037 1.00 50.00 O ATOM 1082 CB ASN A 70 12.182 8.453 -2.842 1.00 50.00 C ATOM 1083 CG ASN A 70 13.645 8.276 -3.141 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.412 7.768 -2.315 1.00 50.00 O ATOM 1085 ND2 ASN A 70 14.049 8.769 -4.284 1.00 50.00 N ATOM 0 H ASN A 70 11.011 6.901 -4.754 1.00 10.00 H new ATOM 0 HA ASN A 70 11.929 6.529 -1.971 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.728 9.050 -3.633 1.00 50.00 H new ATOM 0 HB3 ASN A 70 12.075 9.018 -1.916 1.00 50.00 H new ATOM 0 HD21 ASN A 70 15.039 8.745 -4.528 1.00 50.00 H new ATOM 0 HD22 ASN A 70 13.374 9.177 -4.930 1.00 50.00 H new ATOM 1092 N TRP A 71 9.828 7.458 -0.917 1.00 10.00 N ATOM 1093 CA TRP A 71 8.511 7.665 -0.324 1.00 10.00 C ATOM 1094 C TRP A 71 8.013 9.084 -0.572 1.00 10.00 C ATOM 1095 O TRP A 71 6.809 9.344 -0.539 1.00 50.00 O ATOM 1096 CB TRP A 71 8.550 7.378 1.177 1.00 50.00 C ATOM 1097 CG TRP A 71 8.561 5.916 1.505 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.516 5.246 2.211 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.572 4.945 1.144 1.00 50.00 C ATOM 1100 NE1 TRP A 71 9.185 3.917 2.311 1.00 50.00 N ATOM 1101 CE2 TRP A 71 7.993 3.707 1.663 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.369 5.002 0.429 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.263 2.542 1.493 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.636 3.833 0.261 1.00 50.00 C ATOM 1105 CH2 TRP A 71 6.069 2.639 0.777 1.00 50.00 C ATOM 0 H TRP A 71 10.584 7.359 -0.239 1.00 10.00 H new ATOM 0 HA TRP A 71 7.818 6.972 -0.800 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.437 7.845 1.605 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.685 7.842 1.650 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.404 5.695 2.631 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.735 3.203 2.789 1.00 50.00 H new ATOM 0 HE3 TRP A 71 6.018 5.936 0.016 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 7.603 1.600 1.897 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 4.706 3.866 -0.287 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.472 1.752 0.626 1.00 50.00 H new ATOM 1116 N GLU A 72 8.943 9.999 -0.820 1.00 10.00 N ATOM 1117 CA GLU A 72 8.597 11.378 -1.136 1.00 10.00 C ATOM 1118 C GLU A 72 7.663 11.452 -2.336 1.00 10.00 C ATOM 1119 O GLU A 72 6.755 12.282 -2.378 1.00 50.00 O ATOM 1120 CB GLU A 72 9.861 12.201 -1.402 1.00 50.00 C ATOM 1121 CG GLU A 72 10.707 12.472 -0.166 1.00 50.00 C ATOM 1122 CD GLU A 72 11.978 13.194 -0.522 1.00 50.00 C ATOM 1123 OE1 GLU A 72 12.210 13.408 -1.687 1.00 50.00 O ATOM 1124 OE2 GLU A 72 12.660 13.630 0.375 1.00 75.00 O ATOM 0 H GLU A 72 9.945 9.809 -0.808 1.00 10.00 H new ATOM 0 HA GLU A 72 8.077 11.796 -0.274 1.00 10.00 H new ATOM 0 HB2 GLU A 72 10.472 11.678 -2.138 1.00 50.00 H new ATOM 0 HB3 GLU A 72 9.573 13.154 -1.846 1.00 50.00 H new ATOM 0 HG2 GLU A 72 10.135 13.067 0.546 1.00 50.00 H new ATOM 0 HG3 GLU A 72 10.947 11.530 0.327 1.00 50.00 H new ATOM 1131 N THR A 73 7.890 10.578 -3.310 1.00 10.00 N ATOM 1132 CA THR A 73 7.003 10.466 -4.462 1.00 10.00 C ATOM 1133 C THR A 73 5.858 9.502 -4.182 1.00 10.00 C ATOM 1134 O THR A 73 4.691 9.826 -4.404 1.00 50.00 O ATOM 1135 CB THR A 73 7.762 9.997 -5.718 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.780 10.949 -6.048 1.00 50.00 O ATOM 1137 CG2 THR A 73 6.808 9.850 -6.893 1.00 50.00 C ATOM 0 H THR A 73 8.682 9.936 -3.325 1.00 10.00 H new ATOM 0 HA THR A 73 6.599 11.462 -4.646 1.00 10.00 H new ATOM 0 HB THR A 73 8.216 9.028 -5.509 1.00 50.00 H new ATOM 0 HG1 THR A 73 9.263 10.648 -6.846 1.00 50.00 H new ATOM 0 HG21 THR A 73 7.361 9.518 -7.772 1.00 50.00 H new ATOM 0 HG22 THR A 73 6.040 9.116 -6.649 1.00 50.00 H new ATOM 0 HG23 THR A 73 6.338 10.811 -7.102 1.00 50.00 H new ATOM 1145 N VAL A 74 6.197 8.312 -3.695 1.00 10.00 N ATOM 1146 CA VAL A 74 5.254 7.200 -3.660 1.00 10.00 C ATOM 1147 C VAL A 74 4.134 7.462 -2.663 1.00 10.00 C ATOM 1148 O VAL A 74 2.954 7.330 -2.991 1.00 50.00 O ATOM 1149 CB VAL A 74 5.954 5.878 -3.297 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.928 4.776 -3.076 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.938 5.478 -4.387 1.00 50.00 C ATOM 0 H VAL A 74 7.119 8.093 -3.319 1.00 10.00 H new ATOM 0 HA VAL A 74 4.832 7.113 -4.661 1.00 10.00 H new ATOM 0 HB VAL A 74 6.508 6.025 -2.370 1.00 50.00 H new ATOM 0 HG11 VAL A 74 5.440 3.848 -2.820 1.00 50.00 H new ATOM 0 HG12 VAL A 74 4.260 5.058 -2.262 1.00 50.00 H new ATOM 0 HG13 VAL A 74 4.348 4.631 -3.987 1.00 50.00 H new ATOM 0 HG21 VAL A 74 7.423 4.541 -4.113 1.00 50.00 H new ATOM 0 HG22 VAL A 74 6.405 5.349 -5.329 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.692 6.257 -4.501 1.00 50.00 H new ATOM 1161 N LEU A 75 4.507 7.832 -1.443 1.00 10.00 N ATOM 1162 CA LEU A 75 3.593 7.770 -0.309 1.00 10.00 C ATOM 1163 C LEU A 75 2.398 8.693 -0.516 1.00 50.00 C ATOM 1164 O LEU A 75 1.253 8.298 -0.301 1.00 50.00 O ATOM 1165 CB LEU A 75 4.329 8.133 0.985 1.00 50.00 C ATOM 1166 CG LEU A 75 3.458 8.151 2.248 1.00 50.00 C ATOM 1167 CD1 LEU A 75 2.886 6.764 2.508 1.00 50.00 C ATOM 1168 CD2 LEU A 75 4.288 8.623 3.432 1.00 50.00 C ATOM 0 H LEU A 75 5.438 8.179 -1.214 1.00 10.00 H new ATOM 0 HA LEU A 75 3.220 6.749 -0.229 1.00 10.00 H new ATOM 0 HB2 LEU A 75 5.142 7.422 1.134 1.00 50.00 H new ATOM 0 HB3 LEU A 75 4.784 9.116 0.862 1.00 50.00 H new ATOM 0 HG LEU A 75 2.626 8.841 2.106 1.00 50.00 H new ATOM 0 HD11 LEU A 75 2.269 6.787 3.407 1.00 50.00 H new ATOM 0 HD12 LEU A 75 2.277 6.456 1.658 1.00 50.00 H new ATOM 0 HD13 LEU A 75 3.702 6.054 2.646 1.00 50.00 H new ATOM 0 HD21 LEU A 75 3.668 8.635 4.329 1.00 50.00 H new ATOM 0 HD22 LEU A 75 5.128 7.945 3.581 1.00 50.00 H new ATOM 0 HD23 LEU A 75 4.663 9.628 3.236 1.00 50.00 H new ATOM 1180 N PRO A 76 2.673 9.925 -0.933 1.00 50.00 N ATOM 1181 CA PRO A 76 1.618 10.883 -1.237 1.00 50.00 C ATOM 1182 C PRO A 76 0.566 10.273 -2.154 1.00 50.00 C ATOM 1183 O PRO A 76 -0.633 10.440 -1.935 1.00 50.00 O ATOM 1184 CB PRO A 76 2.353 12.052 -1.900 1.00 50.00 C ATOM 1185 CG PRO A 76 3.716 12.023 -1.297 1.00 50.00 C ATOM 1186 CD PRO A 76 4.053 10.563 -1.143 1.00 50.00 C ATOM 0 HA PRO A 76 1.068 11.199 -0.351 1.00 50.00 H new ATOM 0 HB2 PRO A 76 2.395 11.932 -2.983 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.852 13.000 -1.703 1.00 50.00 H new ATOM 0 HG2 PRO A 76 4.440 12.528 -1.937 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.731 12.534 -0.334 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.553 10.166 -2.026 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.715 10.386 -0.295 1.00 50.00 H new ATOM 1194 N LYS A 77 1.024 9.567 -3.181 1.00 50.00 N ATOM 1195 CA LYS A 77 0.124 8.979 -4.167 1.00 50.00 C ATOM 1196 C LYS A 77 -0.667 7.823 -3.572 1.00 50.00 C ATOM 1197 O LYS A 77 -1.881 7.730 -3.754 1.00 50.00 O ATOM 1198 CB LYS A 77 0.910 8.503 -5.391 1.00 50.00 C ATOM 1199 CG LYS A 77 1.503 9.625 -6.233 1.00 50.00 C ATOM 1200 CD LYS A 77 2.268 9.075 -7.428 1.00 50.00 C ATOM 1201 CE LYS A 77 2.900 10.194 -8.243 1.00 50.00 C ATOM 1202 NZ LYS A 77 3.639 9.671 -9.425 1.00 50.00 N ATOM 0 H LYS A 77 2.013 9.388 -3.353 1.00 50.00 H new ATOM 0 HA LYS A 77 -0.582 9.750 -4.476 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.717 7.850 -5.058 1.00 50.00 H new ATOM 0 HB3 LYS A 77 0.252 7.903 -6.019 1.00 50.00 H new ATOM 0 HG2 LYS A 77 0.706 10.282 -6.580 1.00 50.00 H new ATOM 0 HG3 LYS A 77 2.170 10.230 -5.619 1.00 50.00 H new ATOM 0 HD2 LYS A 77 3.043 8.391 -7.083 1.00 50.00 H new ATOM 0 HD3 LYS A 77 1.593 8.498 -8.060 1.00 50.00 H new ATOM 0 HE2 LYS A 77 2.124 10.883 -8.576 1.00 50.00 H new ATOM 0 HE3 LYS A 77 3.582 10.763 -7.611 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 4.054 10.464 -9.954 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 4.396 9.033 -9.107 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 2.983 9.150 -10.042 1.00 50.00 H new ATOM 1216 N VAL A 78 0.026 6.941 -2.859 1.00 50.00 N ATOM 1217 CA VAL A 78 -0.613 5.795 -2.227 1.00 50.00 C ATOM 1218 C VAL A 78 -1.721 6.233 -1.279 1.00 50.00 C ATOM 1219 O VAL A 78 -2.851 5.749 -1.361 1.00 50.00 O ATOM 1220 CB VAL A 78 0.404 4.938 -1.450 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.309 3.849 -0.660 1.00 50.00 C ATOM 1222 CG2 VAL A 78 1.420 4.325 -2.401 1.00 50.00 C ATOM 0 H VAL A 78 1.033 6.999 -2.705 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.043 5.195 -3.029 1.00 50.00 H new ATOM 0 HB VAL A 78 0.933 5.583 -0.748 1.00 50.00 H new ATOM 0 HG11 VAL A 78 0.425 3.253 -0.117 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.000 4.306 0.048 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -0.863 3.207 -1.344 1.00 50.00 H new ATOM 0 HG21 VAL A 78 2.131 3.723 -1.835 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.906 3.694 -3.126 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.953 5.118 -2.925 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.393 7.155 -0.379 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.376 7.705 0.546 1.00 50.00 C ATOM 1234 C GLU A 79 -3.584 8.257 -0.197 1.00 50.00 C ATOM 1235 O GLU A 79 -4.726 8.034 0.204 1.00 50.00 O ATOM 1236 CB GLU A 79 -1.743 8.800 1.409 1.00 50.00 C ATOM 1237 CG GLU A 79 -2.698 9.449 2.401 1.00 50.00 C ATOM 1238 CD GLU A 79 -2.016 10.533 3.187 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -0.844 10.742 2.982 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -2.688 11.227 3.912 1.00 50.00 O ATOM 0 H GLU A 79 -0.453 7.537 -0.271 1.00 50.00 H new ATOM 0 HA GLU A 79 -2.716 6.896 1.192 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -0.903 8.373 1.958 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.337 9.572 0.755 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -3.552 9.866 1.867 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -3.087 8.693 3.083 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.326 8.981 -1.280 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.392 9.592 -2.065 1.00 50.00 C ATOM 1249 C ALA A 80 -5.399 8.549 -2.534 1.00 50.00 C ATOM 1250 O ALA A 80 -6.607 8.780 -2.503 1.00 50.00 O ATOM 1251 CB ALA A 80 -3.811 10.345 -3.254 1.00 50.00 C ATOM 0 H ALA A 80 -2.387 9.159 -1.635 1.00 50.00 H new ATOM 0 HA ALA A 80 -4.918 10.300 -1.425 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -4.620 10.795 -3.830 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -3.141 11.127 -2.897 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.256 9.653 -3.887 1.00 50.00 H new ATOM 1257 N VAL A 81 -4.894 7.401 -2.969 1.00 50.00 N ATOM 1258 CA VAL A 81 -5.732 6.374 -3.577 1.00 50.00 C ATOM 1259 C VAL A 81 -6.833 5.928 -2.625 1.00 50.00 C ATOM 1260 O VAL A 81 -8.003 5.862 -2.999 1.00 50.00 O ATOM 1261 CB VAL A 81 -4.905 5.147 -4.004 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -5.823 4.002 -4.408 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -3.969 5.507 -5.147 1.00 50.00 C ATOM 0 H VAL A 81 -3.905 7.157 -2.912 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.182 6.821 -4.464 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.303 4.824 -3.155 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.223 3.143 -4.707 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.455 3.727 -3.564 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -6.449 4.315 -5.243 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -3.393 4.628 -5.436 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -4.553 5.854 -6.000 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.290 6.297 -4.826 1.00 50.00 H new ATOM 1273 N PHE A 82 -6.452 5.620 -1.390 1.00 50.00 N ATOM 1274 CA PHE A 82 -7.401 5.151 -0.388 1.00 50.00 C ATOM 1275 C PHE A 82 -8.445 6.215 -0.076 1.00 50.00 C ATOM 1276 O PHE A 82 -9.569 5.900 0.313 1.00 50.00 O ATOM 1277 CB PHE A 82 -6.670 4.741 0.891 1.00 50.00 C ATOM 1278 CG PHE A 82 -5.826 3.508 0.737 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -6.413 2.257 0.622 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -4.442 3.596 0.708 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -5.640 1.121 0.481 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -3.665 2.461 0.568 1.00 50.00 C ATOM 1283 CZ PHE A 82 -4.264 1.224 0.455 1.00 50.00 C ATOM 0 H PHE A 82 -5.490 5.687 -1.059 1.00 50.00 H new ATOM 0 HA PHE A 82 -7.914 4.281 -0.797 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -6.036 5.566 1.217 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -7.403 4.572 1.680 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -7.489 2.170 0.643 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.966 4.562 0.796 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -6.112 0.154 0.391 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -2.588 2.543 0.547 1.00 50.00 H new ATOM 0 HZ PHE A 82 -3.657 0.337 0.346 1.00 50.00 H new ATOM 1293 N GLU A 83 -8.067 7.477 -0.251 1.00 50.00 N ATOM 1294 CA GLU A 83 -8.938 8.593 0.097 1.00 50.00 C ATOM 1295 C GLU A 83 -9.874 8.940 -1.055 1.00 50.00 C ATOM 1296 O GLU A 83 -10.700 9.846 -0.945 1.00 50.00 O ATOM 1297 CB GLU A 83 -8.108 9.819 0.487 1.00 50.00 C ATOM 1298 CG GLU A 83 -7.276 9.638 1.747 1.00 50.00 C ATOM 1299 CD GLU A 83 -8.142 9.304 2.929 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -9.035 10.065 3.221 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -7.985 8.237 3.474 1.00 75.00 O ATOM 0 H GLU A 83 -7.162 7.752 -0.632 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.544 8.290 0.950 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -7.444 10.071 -0.340 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -8.778 10.667 0.627 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -6.546 8.844 1.592 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -6.716 10.551 1.950 1.00 50.00 H new ATOM 1308 N LEU A 84 -9.739 8.214 -2.159 1.00 50.00 N ATOM 1309 CA LEU A 84 -10.631 8.384 -3.301 1.00 75.00 C ATOM 1310 C LEU A 84 -12.064 8.018 -2.939 1.00 75.00 C ATOM 1311 O LEU A 84 -13.012 8.648 -3.409 1.00 75.00 O ATOM 1312 CB LEU A 84 -10.145 7.535 -4.484 1.00 75.00 C ATOM 1313 CG LEU A 84 -8.839 8.008 -5.134 1.00 75.00 C ATOM 1314 CD1 LEU A 84 -8.384 7.003 -6.185 1.00 75.00 C ATOM 1315 CD2 LEU A 84 -9.046 9.381 -5.753 1.00 75.00 C ATOM 0 H LEU A 84 -9.020 7.502 -2.288 1.00 50.00 H new ATOM 0 HA LEU A 84 -10.616 9.435 -3.590 1.00 75.00 H new ATOM 0 HB2 LEU A 84 -10.011 6.508 -4.143 1.00 75.00 H new ATOM 0 HB3 LEU A 84 -10.926 7.519 -5.244 1.00 75.00 H new ATOM 0 HG LEU A 84 -8.061 8.081 -4.374 1.00 75.00 H new ATOM 0 HD11 LEU A 84 -7.456 7.348 -6.641 1.00 75.00 H new ATOM 0 HD12 LEU A 84 -8.219 6.034 -5.714 1.00 75.00 H new ATOM 0 HD13 LEU A 84 -9.151 6.907 -6.953 1.00 75.00 H new ATOM 0 HD21 LEU A 84 -8.117 9.716 -6.215 1.00 75.00 H new ATOM 0 HD22 LEU A 84 -9.828 9.325 -6.510 1.00 75.00 H new ATOM 0 HD23 LEU A 84 -9.342 10.088 -4.978 1.00 75.00 H new ATOM 1327 N GLU A 85 -12.216 6.998 -2.103 1.00 75.00 N ATOM 1328 CA GLU A 85 -13.535 6.536 -1.689 1.00 75.00 C ATOM 1329 C GLU A 85 -14.406 6.206 -2.892 1.00 75.00 C ATOM 1330 O GLU A 85 -15.611 6.463 -2.889 1.00 75.00 O ATOM 1331 CB GLU A 85 -14.222 7.591 -0.817 1.00 75.00 C ATOM 1332 CG GLU A 85 -13.493 7.904 0.482 1.00 75.00 C ATOM 1333 CD GLU A 85 -14.240 8.925 1.295 1.00 75.00 C ATOM 1334 OE1 GLU A 85 -15.249 9.402 0.832 1.00 75.00 O ATOM 1335 OE2 GLU A 85 -13.866 9.146 2.423 1.00 75.00 O ATOM 0 H GLU A 85 -11.440 6.474 -1.698 1.00 75.00 H new ATOM 0 HA GLU A 85 -13.401 5.625 -1.106 1.00 75.00 H new ATOM 0 HB2 GLU A 85 -14.324 8.511 -1.393 1.00 75.00 H new ATOM 0 HB3 GLU A 85 -15.230 7.249 -0.581 1.00 75.00 H new ATOM 0 HG2 GLU A 85 -13.373 6.990 1.064 1.00 75.00 H new ATOM 0 HG3 GLU A 85 -12.492 8.274 0.260 1.00 75.00 H new ATOM 1342 N HIS A 86 -13.792 5.633 -3.921 1.00 75.00 N ATOM 1343 CA HIS A 86 -14.523 5.201 -5.108 1.00 75.00 C ATOM 1344 C HIS A 86 -14.564 3.681 -5.206 1.00 75.00 C ATOM 1345 O HIS A 86 -15.183 3.125 -6.112 1.00 75.00 O ATOM 1346 CB HIS A 86 -13.896 5.792 -6.374 1.00 75.00 C ATOM 1347 CG HIS A 86 -13.986 7.284 -6.451 1.00 75.00 C ATOM 1348 ND1 HIS A 86 -15.179 7.965 -6.326 1.00 75.00 N ATOM 1349 CD2 HIS A 86 -13.033 8.226 -6.639 1.00 75.00 C ATOM 1350 CE1 HIS A 86 -14.955 9.264 -6.434 1.00 75.00 C ATOM 1351 NE2 HIS A 86 -13.661 9.447 -6.624 1.00 75.00 N ATOM 0 H HIS A 86 -12.788 5.456 -3.958 1.00 75.00 H new ATOM 0 HA HIS A 86 -15.546 5.566 -5.018 1.00 75.00 H new ATOM 0 HB2 HIS A 86 -12.848 5.497 -6.421 1.00 75.00 H new ATOM 0 HB3 HIS A 86 -14.387 5.362 -7.247 1.00 75.00 H new ATOM 0 HD2 HIS A 86 -11.976 8.050 -6.775 1.00 75.00 H new ATOM 0 HE1 HIS A 86 -15.702 10.042 -6.377 1.00 75.00 H new ATOM 0 HE2 HIS A 86 -13.202 10.350 -6.741 1.00 75.00 H new ATOM 1359 N HIS A 87 -13.897 3.015 -4.270 1.00 75.00 N ATOM 1360 CA HIS A 87 -13.854 1.558 -4.250 1.00 75.00 C ATOM 1361 C HIS A 87 -15.197 0.973 -3.826 1.00 75.00 C ATOM 1362 O HIS A 87 -15.673 1.226 -2.720 1.00 75.00 O ATOM 1363 CB HIS A 87 -12.748 1.061 -3.313 1.00 75.00 C ATOM 1364 CG HIS A 87 -12.782 -0.415 -3.073 1.00 75.00 C ATOM 1365 ND1 HIS A 87 -12.564 -1.337 -4.076 1.00 75.00 N ATOM 1366 CD2 HIS A 87 -13.008 -1.131 -1.947 1.00 75.00 C ATOM 1367 CE1 HIS A 87 -12.655 -2.556 -3.574 1.00 75.00 C ATOM 1368 NE2 HIS A 87 -12.923 -2.459 -2.285 1.00 75.00 N ATOM 0 H HIS A 87 -13.378 3.462 -3.514 1.00 75.00 H new ATOM 0 HA HIS A 87 -13.636 1.221 -5.263 1.00 75.00 H new ATOM 0 HB2 HIS A 87 -11.779 1.330 -3.734 1.00 75.00 H new ATOM 0 HB3 HIS A 87 -12.834 1.578 -2.357 1.00 75.00 H new ATOM 0 HD2 HIS A 87 -13.216 -0.732 -0.965 1.00 75.00 H new ATOM 0 HE1 HIS A 87 -12.531 -3.476 -4.125 1.00 75.00 H new ATOM 0 HE2 HIS A 87 -13.047 -3.243 -1.644 1.00 75.00 H new ATOM 1376 N HIS A 88 -15.800 0.190 -4.712 1.00 75.00 N ATOM 1377 CA HIS A 88 -17.034 -0.520 -4.393 1.00 75.00 C ATOM 1378 C HIS A 88 -16.777 -1.648 -3.402 1.00 75.00 C ATOM 1379 O HIS A 88 -15.880 -2.467 -3.598 1.00 75.00 O ATOM 1380 CB HIS A 88 -17.683 -1.076 -5.664 1.00 75.00 C ATOM 1381 CG HIS A 88 -18.921 -1.878 -5.406 1.00 75.00 C ATOM 1382 ND1 HIS A 88 -20.114 -1.301 -5.027 1.00 75.00 N ATOM 1383 CD2 HIS A 88 -19.149 -3.210 -5.470 1.00 75.00 C ATOM 1384 CE1 HIS A 88 -21.026 -2.247 -4.870 1.00 75.00 C ATOM 1385 NE2 HIS A 88 -20.465 -3.412 -5.133 1.00 75.00 N ATOM 0 H HIS A 88 -15.455 0.030 -5.658 1.00 75.00 H new ATOM 0 HA HIS A 88 -17.717 0.194 -3.933 1.00 75.00 H new ATOM 0 HB2 HIS A 88 -17.929 -0.247 -6.328 1.00 75.00 H new ATOM 0 HB3 HIS A 88 -16.959 -1.700 -6.188 1.00 75.00 H new ATOM 0 HD2 HIS A 88 -18.431 -3.972 -5.736 1.00 75.00 H new ATOM 0 HE1 HIS A 88 -22.054 -2.092 -4.577 1.00 75.00 H new ATOM 0 HE2 HIS A 88 -20.933 -4.317 -5.093 1.00 75.00 H new ATOM 1393 N HIS A 89 -17.573 -1.685 -2.337 1.00 75.00 N ATOM 1394 CA HIS A 89 -17.452 -2.730 -1.328 1.00 75.00 C ATOM 1395 C HIS A 89 -18.738 -2.870 -0.523 1.00 75.00 C ATOM 1396 O HIS A 89 -19.600 -1.993 -0.558 1.00 75.00 O ATOM 1397 CB HIS A 89 -16.274 -2.444 -0.390 1.00 75.00 C ATOM 1398 CG HIS A 89 -16.424 -1.175 0.391 1.00 75.00 C ATOM 1399 ND1 HIS A 89 -16.163 0.065 -0.149 1.00 75.00 N ATOM 1400 CD2 HIS A 89 -16.805 -0.956 1.671 1.00 75.00 C ATOM 1401 CE1 HIS A 89 -16.379 0.994 0.765 1.00 75.00 C ATOM 1402 NE2 HIS A 89 -16.768 0.399 1.877 1.00 75.00 N ATOM 0 H HIS A 89 -18.308 -1.003 -2.151 1.00 75.00 H new ATOM 0 HA HIS A 89 -17.268 -3.671 -1.847 1.00 75.00 H new ATOM 0 HB2 HIS A 89 -16.163 -3.277 0.304 1.00 75.00 H new ATOM 0 HB3 HIS A 89 -15.357 -2.393 -0.977 1.00 75.00 H new ATOM 0 HD1 HIS A 89 -15.852 0.239 -1.105 1.00 75.00 H new ATOM 0 HD2 HIS A 89 -17.085 -1.707 2.394 1.00 75.00 H new ATOM 0 HE1 HIS A 89 -16.258 2.058 0.626 1.00 75.00 H new ATOM 1410 N HIS A 90 -18.859 -3.977 0.199 1.00 75.00 N ATOM 1411 CA HIS A 90 -20.068 -4.265 0.961 1.00 75.00 C ATOM 1412 C HIS A 90 -19.755 -4.460 2.439 1.00 75.00 C ATOM 1413 O HIS A 90 -20.642 -4.372 3.289 1.00 75.00 O ATOM 1414 CB HIS A 90 -20.774 -5.508 0.408 1.00 75.00 C ATOM 1415 CG HIS A 90 -21.262 -5.346 -0.998 1.00 75.00 C ATOM 1416 ND1 HIS A 90 -22.362 -4.577 -1.318 1.00 75.00 N ATOM 1417 CD2 HIS A 90 -20.805 -5.855 -2.165 1.00 75.00 C ATOM 1418 CE1 HIS A 90 -22.558 -4.618 -2.625 1.00 75.00 C ATOM 1419 NE2 HIS A 90 -21.627 -5.386 -3.162 1.00 75.00 N ATOM 0 H HIS A 90 -18.134 -4.691 0.273 1.00 75.00 H new ATOM 0 HA HIS A 90 -20.733 -3.407 0.861 1.00 75.00 H new ATOM 0 HB2 HIS A 90 -20.088 -6.354 0.450 1.00 75.00 H new ATOM 0 HB3 HIS A 90 -21.620 -5.751 1.051 1.00 75.00 H new ATOM 0 HD1 HIS A 90 -22.934 -4.059 -0.651 1.00 75.00 H new ATOM 0 HD2 HIS A 90 -19.954 -6.508 -2.290 1.00 75.00 H new ATOM 0 HE1 HIS A 90 -23.345 -4.110 -3.162 1.00 75.00 H new ATOM 1427 N HIS A 91 -18.489 -4.724 2.740 1.00 75.00 N ATOM 1428 CA HIS A 91 -18.060 -4.951 4.115 1.00 75.00 C ATOM 1429 C HIS A 91 -16.944 -3.991 4.509 1.00 75.00 C ATOM 1430 O HIS A 91 -17.207 -2.864 4.827 1.00 75.00 O ATOM 1431 CB HIS A 91 -17.596 -6.398 4.307 1.00 75.00 C ATOM 1432 CG HIS A 91 -18.693 -7.406 4.157 1.00 75.00 C ATOM 1433 ND1 HIS A 91 -19.199 -7.778 2.929 1.00 75.00 N ATOM 1434 CD2 HIS A 91 -19.382 -8.119 5.079 1.00 75.00 C ATOM 1435 CE1 HIS A 91 -20.151 -8.678 3.103 1.00 75.00 C ATOM 1436 NE2 HIS A 91 -20.282 -8.900 4.398 1.00 75.00 N ATOM 1437 OXT HIS A 91 -15.803 -4.361 4.500 1.00 75.00 O ATOM 0 H HIS A 91 -17.741 -4.786 2.050 1.00 75.00 H new ATOM 0 HA HIS A 91 -18.918 -4.767 4.762 1.00 75.00 H new ATOM 0 HB2 HIS A 91 -16.811 -6.618 3.583 1.00 75.00 H new ATOM 0 HB3 HIS A 91 -17.154 -6.500 5.298 1.00 75.00 H new ATOM 0 HD2 HIS A 91 -19.248 -8.080 6.150 1.00 75.00 H new ATOM 0 HE1 HIS A 91 -20.724 -9.151 2.319 1.00 75.00 H new ATOM 0 HE2 HIS A 91 -20.945 -9.548 4.824 1.00 75.00 H new TER 1445 HIS A 91