USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 764 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 Single : A 1 HIS : no HD1:sc= -0.0616 X(o=-0.062,f=-0.23) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-2.7!) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0044 USER MOD Single : A 16 GLN : amide:sc= -0.661 K(o=-0.66,f=-1.8) USER MOD Single : A 18 TYR OH : rot -32:sc= -2.98 USER MOD Single : A 19 THR OG1 : rot -170:sc= 0.0854 USER MOD Single : A 25 GLN : amide:sc= -4.76! C(o=-4.8!,f=-4.5!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 76:sc= -0.764! USER MOD Single : B 1 HIS : no HD1:sc= -0.055 X(o=-0.055,f=-0.2) USER MOD Single : B 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 HIS : no HD1:sc= -1.65 K(o=-1.6,f=-2.5!) USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0.0066 USER MOD Single : B 16 GLN : amide:sc= -0.675 K(o=-0.67,f=-1.9) USER MOD Single : B 18 TYR OH : rot -30:sc= -2.87 USER MOD Single : B 19 THR OG1 : rot -170:sc= 0.0777 USER MOD Single : B 25 GLN : amide:sc= -4.81! C(o=-4.8!,f=-4.6!) USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 73:sc= -1.18! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 81.808 52.882 64.733 1.00 0.00 N ATOM 2 CA HIS A 1 83.179 53.236 65.203 1.00 0.00 C ATOM 3 C HIS A 1 84.088 52.004 65.149 1.00 0.00 C ATOM 4 O HIS A 1 83.784 50.971 65.710 1.00 0.00 O ATOM 5 CB HIS A 1 82.994 53.704 66.647 1.00 0.00 C ATOM 6 CG HIS A 1 84.174 54.543 67.055 1.00 0.00 C ATOM 7 ND1 HIS A 1 84.528 55.699 66.377 1.00 0.00 N ATOM 8 CD2 HIS A 1 85.089 54.407 68.070 1.00 0.00 C ATOM 9 CE1 HIS A 1 85.614 56.209 66.986 1.00 0.00 C ATOM 10 NE2 HIS A 1 85.997 55.461 68.024 1.00 0.00 N ATOM 0 H1 HIS A 1 81.199 53.724 64.773 1.00 0.00 H new ATOM 0 H2 HIS A 1 81.855 52.536 63.754 1.00 0.00 H new ATOM 0 H3 HIS A 1 81.413 52.139 65.344 1.00 0.00 H new ATOM 0 HA HIS A 1 83.645 54.003 64.584 1.00 0.00 H new ATOM 0 HB2 HIS A 1 82.074 54.281 66.739 1.00 0.00 H new ATOM 0 HB3 HIS A 1 82.898 52.844 67.310 1.00 0.00 H new ATOM 0 HD2 HIS A 1 85.102 53.605 68.793 1.00 0.00 H new ATOM 0 HE1 HIS A 1 86.115 57.113 66.673 1.00 0.00 H new ATOM 0 HE2 HIS A 1 86.786 55.627 68.649 1.00 0.00 H new ATOM 20 N MET A 2 85.203 52.107 64.477 1.00 0.00 N ATOM 21 CA MET A 2 86.128 50.941 64.389 1.00 0.00 C ATOM 22 C MET A 2 87.572 51.387 64.637 1.00 0.00 C ATOM 23 O MET A 2 88.314 50.745 65.352 1.00 0.00 O ATOM 24 CB MET A 2 85.967 50.415 62.963 1.00 0.00 C ATOM 25 CG MET A 2 85.220 49.081 62.991 1.00 0.00 C ATOM 26 SD MET A 2 83.440 49.390 63.123 1.00 0.00 S ATOM 27 CE MET A 2 83.035 47.943 64.132 1.00 0.00 C ATOM 0 H MET A 2 85.513 52.946 63.986 1.00 0.00 H new ATOM 0 HA MET A 2 85.901 50.178 65.134 1.00 0.00 H new ATOM 0 HB2 MET A 2 85.420 51.137 62.358 1.00 0.00 H new ATOM 0 HB3 MET A 2 86.945 50.286 62.499 1.00 0.00 H new ATOM 0 HG2 MET A 2 85.435 48.512 62.086 1.00 0.00 H new ATOM 0 HG3 MET A 2 85.559 48.479 63.834 1.00 0.00 H new ATOM 0 HE1 MET A 2 81.965 47.932 64.339 1.00 0.00 H new ATOM 0 HE2 MET A 2 83.311 47.036 63.594 1.00 0.00 H new ATOM 0 HE3 MET A 2 83.585 47.989 65.072 1.00 0.00 H new ATOM 37 N GLY A 3 87.975 52.482 64.052 1.00 0.00 N ATOM 38 CA GLY A 3 89.370 52.965 64.257 1.00 0.00 C ATOM 39 C GLY A 3 89.813 53.786 63.046 1.00 0.00 C ATOM 40 O GLY A 3 89.140 53.831 62.034 1.00 0.00 O ATOM 0 H GLY A 3 87.399 53.062 63.442 1.00 0.00 H new ATOM 0 HA2 GLY A 3 89.426 53.572 65.161 1.00 0.00 H new ATOM 0 HA3 GLY A 3 90.041 52.118 64.400 1.00 0.00 H new ATOM 44 N HIS A 4 90.940 54.438 63.140 1.00 0.00 N ATOM 45 CA HIS A 4 91.426 55.256 61.992 1.00 0.00 C ATOM 46 C HIS A 4 92.957 55.267 61.960 1.00 0.00 C ATOM 47 O HIS A 4 93.592 56.163 62.478 1.00 0.00 O ATOM 48 CB HIS A 4 90.884 56.662 62.251 1.00 0.00 C ATOM 49 CG HIS A 4 89.399 56.677 62.017 1.00 0.00 C ATOM 50 ND1 HIS A 4 88.832 56.223 60.836 1.00 0.00 N ATOM 51 CD2 HIS A 4 88.350 57.087 62.803 1.00 0.00 C ATOM 52 CE1 HIS A 4 87.499 56.370 60.944 1.00 0.00 C ATOM 53 NE2 HIS A 4 87.151 56.892 62.123 1.00 0.00 N ATOM 0 H HIS A 4 91.545 54.440 63.961 1.00 0.00 H new ATOM 0 HA HIS A 4 91.092 54.861 61.032 1.00 0.00 H new ATOM 0 HB2 HIS A 4 91.105 56.966 63.274 1.00 0.00 H new ATOM 0 HB3 HIS A 4 91.374 57.379 61.593 1.00 0.00 H new ATOM 0 HD2 HIS A 4 88.441 57.498 63.797 1.00 0.00 H new ATOM 0 HE1 HIS A 4 86.795 56.099 60.171 1.00 0.00 H new ATOM 0 HE2 HIS A 4 86.209 57.102 62.454 1.00 0.00 H new ATOM 61 N ILE A 5 93.553 54.277 61.354 1.00 0.00 N ATOM 62 CA ILE A 5 95.043 54.231 61.286 1.00 0.00 C ATOM 63 C ILE A 5 95.512 54.423 59.840 1.00 0.00 C ATOM 64 O ILE A 5 96.128 53.554 59.256 1.00 0.00 O ATOM 65 CB ILE A 5 95.423 52.840 61.799 1.00 0.00 C ATOM 66 CG1 ILE A 5 96.948 52.720 61.861 1.00 0.00 C ATOM 67 CG2 ILE A 5 94.864 51.769 60.857 1.00 0.00 C ATOM 68 CD1 ILE A 5 97.368 52.305 63.273 1.00 0.00 C ATOM 0 H ILE A 5 93.074 53.498 60.903 1.00 0.00 H new ATOM 0 HA ILE A 5 95.509 55.020 61.876 1.00 0.00 H new ATOM 0 HB ILE A 5 95.004 52.696 62.795 1.00 0.00 H new ATOM 0 HG12 ILE A 5 97.296 51.985 61.135 1.00 0.00 H new ATOM 0 HG13 ILE A 5 97.410 53.671 61.597 1.00 0.00 H new ATOM 0 HG21 ILE A 5 95.137 50.781 61.227 1.00 0.00 H new ATOM 0 HG22 ILE A 5 93.778 51.853 60.814 1.00 0.00 H new ATOM 0 HG23 ILE A 5 95.278 51.910 59.859 1.00 0.00 H new ATOM 0 HD11 ILE A 5 98.454 52.219 63.319 1.00 0.00 H new ATOM 0 HD12 ILE A 5 97.033 53.056 63.988 1.00 0.00 H new ATOM 0 HD13 ILE A 5 96.917 51.344 63.519 1.00 0.00 H new ATOM 80 N GLN A 6 95.223 55.556 59.259 1.00 0.00 N ATOM 81 CA GLN A 6 95.650 55.802 57.852 1.00 0.00 C ATOM 82 C GLN A 6 96.770 56.845 57.813 1.00 0.00 C ATOM 83 O GLN A 6 96.793 57.713 56.962 1.00 0.00 O ATOM 84 CB GLN A 6 94.401 56.327 57.147 1.00 0.00 C ATOM 85 CG GLN A 6 93.606 55.153 56.572 1.00 0.00 C ATOM 86 CD GLN A 6 92.575 55.673 55.569 1.00 0.00 C ATOM 87 OE1 GLN A 6 92.892 55.902 54.418 1.00 0.00 O ATOM 88 NE2 GLN A 6 91.346 55.872 55.959 1.00 0.00 N ATOM 0 H GLN A 6 94.710 56.321 59.697 1.00 0.00 H new ATOM 0 HA GLN A 6 96.040 54.903 57.375 1.00 0.00 H new ATOM 0 HB2 GLN A 6 93.784 56.889 57.848 1.00 0.00 H new ATOM 0 HB3 GLN A 6 94.683 57.014 56.349 1.00 0.00 H new ATOM 0 HG2 GLN A 6 94.280 54.449 56.084 1.00 0.00 H new ATOM 0 HG3 GLN A 6 93.106 54.611 57.375 1.00 0.00 H new ATOM 0 HE21 GLN A 6 91.080 55.680 56.925 1.00 0.00 H new ATOM 0 HE22 GLN A 6 90.651 56.220 55.298 1.00 0.00 H new ATOM 97 N ILE A 7 97.698 56.767 58.726 1.00 0.00 N ATOM 98 CA ILE A 7 98.816 57.753 58.740 1.00 0.00 C ATOM 99 C ILE A 7 100.162 57.022 58.820 1.00 0.00 C ATOM 100 O ILE A 7 100.707 56.850 59.892 1.00 0.00 O ATOM 101 CB ILE A 7 98.585 58.596 59.995 1.00 0.00 C ATOM 102 CG1 ILE A 7 97.240 59.317 59.882 1.00 0.00 C ATOM 103 CG2 ILE A 7 99.706 59.627 60.132 1.00 0.00 C ATOM 104 CD1 ILE A 7 97.252 60.230 58.654 1.00 0.00 C ATOM 0 H ILE A 7 97.731 56.063 59.463 1.00 0.00 H new ATOM 0 HA ILE A 7 98.840 58.366 57.839 1.00 0.00 H new ATOM 0 HB ILE A 7 98.579 57.949 60.872 1.00 0.00 H new ATOM 0 HG12 ILE A 7 96.432 58.590 59.800 1.00 0.00 H new ATOM 0 HG13 ILE A 7 97.052 59.903 60.782 1.00 0.00 H new ATOM 0 HG21 ILE A 7 99.541 60.227 61.027 1.00 0.00 H new ATOM 0 HG22 ILE A 7 100.664 59.114 60.211 1.00 0.00 H new ATOM 0 HG23 ILE A 7 99.713 60.276 59.256 1.00 0.00 H new ATOM 0 HD11 ILE A 7 96.294 60.744 58.573 1.00 0.00 H new ATOM 0 HD12 ILE A 7 98.051 60.965 58.755 1.00 0.00 H new ATOM 0 HD13 ILE A 7 97.420 59.632 57.758 1.00 0.00 H new ATOM 116 N PRO A 8 100.657 56.614 57.677 1.00 0.00 N ATOM 117 CA PRO A 8 101.955 55.893 57.628 1.00 0.00 C ATOM 118 C PRO A 8 103.116 56.858 57.910 1.00 0.00 C ATOM 119 O PRO A 8 103.368 57.758 57.133 1.00 0.00 O ATOM 120 CB PRO A 8 102.021 55.368 56.197 1.00 0.00 C ATOM 121 CG PRO A 8 101.146 56.287 55.410 1.00 0.00 C ATOM 122 CD PRO A 8 100.071 56.780 56.341 1.00 0.00 C ATOM 0 HA PRO A 8 102.032 55.100 58.372 1.00 0.00 H new ATOM 0 HB2 PRO A 8 103.044 55.377 55.820 1.00 0.00 H new ATOM 0 HB3 PRO A 8 101.668 54.339 56.137 1.00 0.00 H new ATOM 0 HG2 PRO A 8 101.723 57.122 55.012 1.00 0.00 H new ATOM 0 HG3 PRO A 8 100.709 55.767 54.558 1.00 0.00 H new ATOM 0 HD2 PRO A 8 99.817 57.821 56.143 1.00 0.00 H new ATOM 0 HD3 PRO A 8 99.153 56.202 56.233 1.00 0.00 H new ATOM 130 N PRO A 9 103.790 56.643 59.016 1.00 0.00 N ATOM 131 CA PRO A 9 104.932 57.518 59.383 1.00 0.00 C ATOM 132 C PRO A 9 106.135 57.235 58.479 1.00 0.00 C ATOM 133 O PRO A 9 106.205 56.214 57.824 1.00 0.00 O ATOM 134 CB PRO A 9 105.233 57.131 60.828 1.00 0.00 C ATOM 135 CG PRO A 9 104.719 55.735 60.971 1.00 0.00 C ATOM 136 CD PRO A 9 103.565 55.588 60.013 1.00 0.00 C ATOM 0 HA PRO A 9 104.711 58.579 59.270 1.00 0.00 H new ATOM 0 HB2 PRO A 9 106.302 57.181 61.035 1.00 0.00 H new ATOM 0 HB3 PRO A 9 104.741 57.806 61.528 1.00 0.00 H new ATOM 0 HG2 PRO A 9 105.502 55.011 60.745 1.00 0.00 H new ATOM 0 HG3 PRO A 9 104.396 55.546 61.995 1.00 0.00 H new ATOM 0 HD2 PRO A 9 103.553 54.600 59.552 1.00 0.00 H new ATOM 0 HD3 PRO A 9 102.608 55.715 60.519 1.00 0.00 H new ATOM 144 N GLY A 10 107.081 58.133 58.438 1.00 0.00 N ATOM 145 CA GLY A 10 108.276 57.918 57.574 1.00 0.00 C ATOM 146 C GLY A 10 108.064 58.621 56.233 1.00 0.00 C ATOM 147 O GLY A 10 109.001 59.054 55.591 1.00 0.00 O ATOM 0 H GLY A 10 107.078 59.006 58.965 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.168 58.307 58.064 1.00 0.00 H new ATOM 0 HA3 GLY A 10 108.438 56.852 57.417 1.00 0.00 H new ATOM 151 N LEU A 11 106.837 58.740 55.804 1.00 0.00 N ATOM 152 CA LEU A 11 106.561 59.417 54.505 1.00 0.00 C ATOM 153 C LEU A 11 106.981 60.887 54.577 1.00 0.00 C ATOM 154 O LEU A 11 107.506 61.441 53.632 1.00 0.00 O ATOM 155 CB LEU A 11 105.049 59.300 54.313 1.00 0.00 C ATOM 156 CG LEU A 11 104.726 59.221 52.820 1.00 0.00 C ATOM 157 CD1 LEU A 11 103.477 58.362 52.614 1.00 0.00 C ATOM 158 CD2 LEU A 11 104.470 60.630 52.281 1.00 0.00 C ATOM 0 H LEU A 11 106.013 58.397 56.298 1.00 0.00 H new ATOM 0 HA LEU A 11 107.113 58.969 53.679 1.00 0.00 H new ATOM 0 HB2 LEU A 11 104.675 58.413 54.824 1.00 0.00 H new ATOM 0 HB3 LEU A 11 104.548 60.159 54.759 1.00 0.00 H new ATOM 0 HG LEU A 11 105.566 58.774 52.288 1.00 0.00 H new ATOM 0 HD11 LEU A 11 103.246 58.305 51.550 1.00 0.00 H new ATOM 0 HD12 LEU A 11 103.658 57.359 53.000 1.00 0.00 H new ATOM 0 HD13 LEU A 11 102.636 58.809 53.144 1.00 0.00 H new ATOM 0 HD21 LEU A 11 104.240 60.576 51.217 1.00 0.00 H new ATOM 0 HD22 LEU A 11 103.629 61.076 52.812 1.00 0.00 H new ATOM 0 HD23 LEU A 11 105.359 61.243 52.429 1.00 0.00 H new ATOM 170 N THR A 12 106.752 61.523 55.694 1.00 0.00 N ATOM 171 CA THR A 12 107.136 62.957 55.825 1.00 0.00 C ATOM 172 C THR A 12 108.635 63.128 55.566 1.00 0.00 C ATOM 173 O THR A 12 109.044 63.881 54.706 1.00 0.00 O ATOM 174 CB THR A 12 106.795 63.330 57.269 1.00 0.00 C ATOM 175 OG1 THR A 12 105.430 63.027 57.524 1.00 0.00 O ATOM 176 CG2 THR A 12 107.038 64.824 57.485 1.00 0.00 C ATOM 0 H THR A 12 106.316 61.112 56.520 1.00 0.00 H new ATOM 0 HA THR A 12 106.615 63.591 55.107 1.00 0.00 H new ATOM 0 HB THR A 12 107.428 62.761 57.950 1.00 0.00 H new ATOM 0 HG1 THR A 12 105.210 63.264 58.449 1.00 0.00 H new ATOM 0 HG21 THR A 12 106.794 65.087 58.514 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.085 65.054 57.290 1.00 0.00 H new ATOM 0 HG23 THR A 12 106.408 65.397 56.805 1.00 0.00 H new ATOM 184 N GLU A 13 109.454 62.430 56.304 1.00 0.00 N ATOM 185 CA GLU A 13 110.929 62.548 56.103 1.00 0.00 C ATOM 186 C GLU A 13 111.283 62.372 54.623 1.00 0.00 C ATOM 187 O GLU A 13 111.992 63.172 54.044 1.00 0.00 O ATOM 188 CB GLU A 13 111.532 61.415 56.934 1.00 0.00 C ATOM 189 CG GLU A 13 113.010 61.706 57.199 1.00 0.00 C ATOM 190 CD GLU A 13 113.167 62.316 58.594 1.00 0.00 C ATOM 191 OE1 GLU A 13 112.853 63.484 58.747 1.00 0.00 O ATOM 192 OE2 GLU A 13 113.599 61.602 59.485 1.00 0.00 O ATOM 0 H GLU A 13 109.167 61.783 57.038 1.00 0.00 H new ATOM 0 HA GLU A 13 111.308 63.525 56.404 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.995 61.317 57.878 1.00 0.00 H new ATOM 0 HB3 GLU A 13 111.426 60.467 56.407 1.00 0.00 H new ATOM 0 HG2 GLU A 13 113.592 60.787 57.124 1.00 0.00 H new ATOM 0 HG3 GLU A 13 113.398 62.391 56.445 1.00 0.00 H new ATOM 199 N LEU A 14 110.795 61.330 54.006 1.00 0.00 N ATOM 200 CA LEU A 14 111.103 61.104 52.565 1.00 0.00 C ATOM 201 C LEU A 14 110.726 62.339 51.743 1.00 0.00 C ATOM 202 O LEU A 14 111.539 62.897 51.031 1.00 0.00 O ATOM 203 CB LEU A 14 110.243 59.907 52.159 1.00 0.00 C ATOM 204 CG LEU A 14 110.993 59.065 51.126 1.00 0.00 C ATOM 205 CD1 LEU A 14 112.287 58.532 51.745 1.00 0.00 C ATOM 206 CD2 LEU A 14 110.115 57.889 50.691 1.00 0.00 C ATOM 0 H LEU A 14 110.197 60.626 54.438 1.00 0.00 H new ATOM 0 HA LEU A 14 112.164 60.921 52.394 1.00 0.00 H new ATOM 0 HB2 LEU A 14 110.007 59.302 53.034 1.00 0.00 H new ATOM 0 HB3 LEU A 14 109.295 60.251 51.744 1.00 0.00 H new ATOM 0 HG LEU A 14 111.231 59.681 50.259 1.00 0.00 H new ATOM 0 HD11 LEU A 14 112.822 57.932 51.009 1.00 0.00 H new ATOM 0 HD12 LEU A 14 112.913 59.368 52.056 1.00 0.00 H new ATOM 0 HD13 LEU A 14 112.049 57.916 52.612 1.00 0.00 H new ATOM 0 HD21 LEU A 14 110.649 57.289 49.955 1.00 0.00 H new ATOM 0 HD22 LEU A 14 109.877 57.273 51.558 1.00 0.00 H new ATOM 0 HD23 LEU A 14 109.193 58.267 50.250 1.00 0.00 H new ATOM 218 N LEU A 15 109.498 62.770 51.834 1.00 0.00 N ATOM 219 CA LEU A 15 109.069 63.967 51.056 1.00 0.00 C ATOM 220 C LEU A 15 109.879 65.194 51.478 1.00 0.00 C ATOM 221 O LEU A 15 110.453 65.880 50.656 1.00 0.00 O ATOM 222 CB LEU A 15 107.589 64.149 51.395 1.00 0.00 C ATOM 223 CG LEU A 15 106.734 63.583 50.260 1.00 0.00 C ATOM 224 CD1 LEU A 15 107.049 62.097 50.074 1.00 0.00 C ATOM 225 CD2 LEU A 15 105.253 63.749 50.606 1.00 0.00 C ATOM 0 H LEU A 15 108.773 62.346 52.413 1.00 0.00 H new ATOM 0 HA LEU A 15 109.227 63.843 49.985 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.354 63.641 52.330 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.365 65.206 51.541 1.00 0.00 H new ATOM 0 HG LEU A 15 106.955 64.120 49.337 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.439 61.694 49.265 1.00 0.00 H new ATOM 0 HD12 LEU A 15 108.104 61.977 49.828 1.00 0.00 H new ATOM 0 HD13 LEU A 15 106.828 61.560 50.997 1.00 0.00 H new ATOM 0 HD21 LEU A 15 104.643 63.346 49.798 1.00 0.00 H new ATOM 0 HD22 LEU A 15 105.033 63.213 51.529 1.00 0.00 H new ATOM 0 HD23 LEU A 15 105.027 64.807 50.738 1.00 0.00 H new ATOM 237 N GLN A 16 109.943 65.476 52.754 1.00 0.00 N ATOM 238 CA GLN A 16 110.732 66.659 53.212 1.00 0.00 C ATOM 239 C GLN A 16 112.149 66.585 52.640 1.00 0.00 C ATOM 240 O GLN A 16 112.778 67.590 52.379 1.00 0.00 O ATOM 241 CB GLN A 16 110.760 66.558 54.737 1.00 0.00 C ATOM 242 CG GLN A 16 110.204 67.846 55.345 1.00 0.00 C ATOM 243 CD GLN A 16 109.779 67.588 56.792 1.00 0.00 C ATOM 244 OE1 GLN A 16 108.629 67.297 57.058 1.00 0.00 O ATOM 245 NE2 GLN A 16 110.665 67.680 57.746 1.00 0.00 N ATOM 0 H GLN A 16 109.487 64.943 53.494 1.00 0.00 H new ATOM 0 HA GLN A 16 110.298 67.603 52.882 1.00 0.00 H new ATOM 0 HB2 GLN A 16 110.169 65.703 55.066 1.00 0.00 H new ATOM 0 HB3 GLN A 16 111.780 66.392 55.082 1.00 0.00 H new ATOM 0 HG2 GLN A 16 110.959 68.631 55.312 1.00 0.00 H new ATOM 0 HG3 GLN A 16 109.352 68.197 54.762 1.00 0.00 H new ATOM 0 HE21 GLN A 16 111.630 67.924 57.524 1.00 0.00 H new ATOM 0 HE22 GLN A 16 110.392 67.508 58.714 1.00 0.00 H new ATOM 254 N GLY A 17 112.649 65.396 52.430 1.00 0.00 N ATOM 255 CA GLY A 17 114.017 65.256 51.862 1.00 0.00 C ATOM 256 C GLY A 17 114.063 65.965 50.510 1.00 0.00 C ATOM 257 O GLY A 17 114.861 66.854 50.293 1.00 0.00 O ATOM 0 H GLY A 17 112.168 64.518 52.628 1.00 0.00 H new ATOM 0 HA2 GLY A 17 114.753 65.688 52.540 1.00 0.00 H new ATOM 0 HA3 GLY A 17 114.271 64.203 51.745 1.00 0.00 H new ATOM 261 N TYR A 18 113.202 65.583 49.602 1.00 0.00 N ATOM 262 CA TYR A 18 113.178 66.238 48.260 1.00 0.00 C ATOM 263 C TYR A 18 113.201 67.762 48.411 1.00 0.00 C ATOM 264 O TYR A 18 113.836 68.465 47.650 1.00 0.00 O ATOM 265 CB TYR A 18 111.860 65.786 47.633 1.00 0.00 C ATOM 266 CG TYR A 18 112.039 65.621 46.146 1.00 0.00 C ATOM 267 CD1 TYR A 18 113.124 64.870 45.647 1.00 0.00 C ATOM 268 CD2 TYR A 18 111.120 66.217 45.255 1.00 0.00 C ATOM 269 CE1 TYR A 18 113.293 64.715 44.253 1.00 0.00 C ATOM 270 CE2 TYR A 18 111.287 66.064 43.861 1.00 0.00 C ATOM 271 CZ TYR A 18 112.375 65.313 43.360 1.00 0.00 C ATOM 272 OH TYR A 18 112.540 65.163 41.998 1.00 0.00 O ATOM 0 H TYR A 18 112.512 64.843 49.733 1.00 0.00 H new ATOM 0 HA TYR A 18 114.041 65.968 47.651 1.00 0.00 H new ATOM 0 HB2 TYR A 18 111.538 64.844 48.078 1.00 0.00 H new ATOM 0 HB3 TYR A 18 111.079 66.518 47.837 1.00 0.00 H new ATOM 0 HD1 TYR A 18 113.825 64.414 46.330 1.00 0.00 H new ATOM 0 HD2 TYR A 18 110.289 66.790 45.640 1.00 0.00 H new ATOM 0 HE1 TYR A 18 114.123 64.140 43.870 1.00 0.00 H new ATOM 0 HE2 TYR A 18 110.585 66.520 43.179 1.00 0.00 H new ATOM 0 HH TYR A 18 113.495 65.101 41.789 1.00 0.00 H new ATOM 282 N THR A 19 112.514 68.272 49.394 1.00 0.00 N ATOM 283 CA THR A 19 112.494 69.746 49.606 1.00 0.00 C ATOM 284 C THR A 19 113.898 70.238 49.970 1.00 0.00 C ATOM 285 O THR A 19 114.298 71.327 49.609 1.00 0.00 O ATOM 286 CB THR A 19 111.528 69.963 50.774 1.00 0.00 C ATOM 287 OG1 THR A 19 110.503 68.979 50.730 1.00 0.00 O ATOM 288 CG2 THR A 19 110.903 71.355 50.673 1.00 0.00 C ATOM 0 H THR A 19 111.964 67.731 50.061 1.00 0.00 H new ATOM 0 HA THR A 19 112.183 70.293 48.716 1.00 0.00 H new ATOM 0 HB THR A 19 112.073 69.880 51.714 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.802 69.208 51.375 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.216 71.507 51.506 1.00 0.00 H new ATOM 0 HG22 THR A 19 111.688 72.110 50.709 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.358 71.442 49.733 1.00 0.00 H new ATOM 296 N VAL A 20 114.648 69.440 50.681 1.00 0.00 N ATOM 297 CA VAL A 20 116.025 69.858 51.070 1.00 0.00 C ATOM 298 C VAL A 20 117.006 69.593 49.924 1.00 0.00 C ATOM 299 O VAL A 20 118.017 70.256 49.794 1.00 0.00 O ATOM 300 CB VAL A 20 116.373 68.994 52.281 1.00 0.00 C ATOM 301 CG1 VAL A 20 117.778 69.345 52.772 1.00 0.00 C ATOM 302 CG2 VAL A 20 115.362 69.258 53.399 1.00 0.00 C ATOM 0 H VAL A 20 114.366 68.516 51.009 1.00 0.00 H new ATOM 0 HA VAL A 20 116.083 70.923 51.296 1.00 0.00 H new ATOM 0 HB VAL A 20 116.340 67.942 51.999 1.00 0.00 H new ATOM 0 HG11 VAL A 20 118.026 68.728 53.636 1.00 0.00 H new ATOM 0 HG12 VAL A 20 118.499 69.160 51.975 1.00 0.00 H new ATOM 0 HG13 VAL A 20 117.812 70.397 53.055 1.00 0.00 H new ATOM 0 HG21 VAL A 20 115.608 68.643 54.265 1.00 0.00 H new ATOM 0 HG22 VAL A 20 115.397 70.311 53.680 1.00 0.00 H new ATOM 0 HG23 VAL A 20 114.360 69.009 53.050 1.00 0.00 H new ATOM 312 N GLU A 21 116.718 68.633 49.089 1.00 0.00 N ATOM 313 CA GLU A 21 117.641 68.337 47.949 1.00 0.00 C ATOM 314 C GLU A 21 117.341 69.298 46.806 1.00 0.00 C ATOM 315 O GLU A 21 118.186 70.052 46.364 1.00 0.00 O ATOM 316 CB GLU A 21 117.354 66.894 47.482 1.00 0.00 C ATOM 317 CG GLU A 21 116.903 66.004 48.644 1.00 0.00 C ATOM 318 CD GLU A 21 117.570 64.632 48.531 1.00 0.00 C ATOM 319 OE1 GLU A 21 117.144 63.856 47.693 1.00 0.00 O ATOM 320 OE2 GLU A 21 118.496 64.382 49.286 1.00 0.00 O ATOM 0 H GLU A 21 115.889 68.042 49.143 1.00 0.00 H new ATOM 0 HA GLU A 21 118.682 68.447 48.252 1.00 0.00 H new ATOM 0 HB2 GLU A 21 116.582 66.907 46.712 1.00 0.00 H new ATOM 0 HB3 GLU A 21 118.251 66.473 47.027 1.00 0.00 H new ATOM 0 HG2 GLU A 21 117.165 66.469 49.594 1.00 0.00 H new ATOM 0 HG3 GLU A 21 115.819 65.894 48.631 1.00 0.00 H new ATOM 327 N VAL A 22 116.132 69.267 46.328 1.00 0.00 N ATOM 328 CA VAL A 22 115.736 70.162 45.211 1.00 0.00 C ATOM 329 C VAL A 22 116.024 71.623 45.566 1.00 0.00 C ATOM 330 O VAL A 22 116.330 72.429 44.712 1.00 0.00 O ATOM 331 CB VAL A 22 114.234 69.932 45.053 1.00 0.00 C ATOM 332 CG1 VAL A 22 113.723 70.729 43.859 1.00 0.00 C ATOM 333 CG2 VAL A 22 113.963 68.444 44.817 1.00 0.00 C ATOM 0 H VAL A 22 115.393 68.652 46.668 1.00 0.00 H new ATOM 0 HA VAL A 22 116.286 69.952 44.294 1.00 0.00 H new ATOM 0 HB VAL A 22 113.723 70.256 45.959 1.00 0.00 H new ATOM 0 HG11 VAL A 22 112.651 70.566 43.745 1.00 0.00 H new ATOM 0 HG12 VAL A 22 113.914 71.790 44.021 1.00 0.00 H new ATOM 0 HG13 VAL A 22 114.238 70.402 42.956 1.00 0.00 H new ATOM 0 HG21 VAL A 22 112.891 68.283 44.705 1.00 0.00 H new ATOM 0 HG22 VAL A 22 114.476 68.120 43.911 1.00 0.00 H new ATOM 0 HG23 VAL A 22 114.329 67.868 45.667 1.00 0.00 H new ATOM 343 N LEU A 23 115.925 71.973 46.820 1.00 0.00 N ATOM 344 CA LEU A 23 116.191 73.385 47.218 1.00 0.00 C ATOM 345 C LEU A 23 117.694 73.610 47.407 1.00 0.00 C ATOM 346 O LEU A 23 118.178 74.722 47.333 1.00 0.00 O ATOM 347 CB LEU A 23 115.450 73.572 48.542 1.00 0.00 C ATOM 348 CG LEU A 23 115.379 75.062 48.879 1.00 0.00 C ATOM 349 CD1 LEU A 23 113.944 75.559 48.691 1.00 0.00 C ATOM 350 CD2 LEU A 23 115.806 75.277 50.333 1.00 0.00 C ATOM 0 H LEU A 23 115.673 71.345 47.583 1.00 0.00 H new ATOM 0 HA LEU A 23 115.858 74.095 46.461 1.00 0.00 H new ATOM 0 HB2 LEU A 23 114.445 73.156 48.471 1.00 0.00 H new ATOM 0 HB3 LEU A 23 115.963 73.032 49.338 1.00 0.00 H new ATOM 0 HG LEU A 23 116.046 75.616 48.218 1.00 0.00 H new ATOM 0 HD11 LEU A 23 113.892 76.621 48.931 1.00 0.00 H new ATOM 0 HD12 LEU A 23 113.638 75.406 47.656 1.00 0.00 H new ATOM 0 HD13 LEU A 23 113.278 75.005 49.352 1.00 0.00 H new ATOM 0 HD21 LEU A 23 115.756 76.339 50.574 1.00 0.00 H new ATOM 0 HD22 LEU A 23 115.139 74.723 50.994 1.00 0.00 H new ATOM 0 HD23 LEU A 23 116.828 74.922 50.468 1.00 0.00 H new ATOM 362 N ARG A 24 118.436 72.564 47.652 1.00 0.00 N ATOM 363 CA ARG A 24 119.906 72.722 47.847 1.00 0.00 C ATOM 364 C ARG A 24 120.633 72.676 46.499 1.00 0.00 C ATOM 365 O ARG A 24 121.325 73.602 46.126 1.00 0.00 O ATOM 366 CB ARG A 24 120.318 71.535 48.719 1.00 0.00 C ATOM 367 CG ARG A 24 121.829 71.577 48.962 1.00 0.00 C ATOM 368 CD ARG A 24 122.112 72.240 50.312 1.00 0.00 C ATOM 369 NE ARG A 24 123.587 72.443 50.337 1.00 0.00 N ATOM 370 CZ ARG A 24 124.114 73.303 51.167 1.00 0.00 C ATOM 371 NH1 ARG A 24 124.175 74.567 50.845 1.00 0.00 N ATOM 372 NH2 ARG A 24 124.578 72.899 52.318 1.00 0.00 N ATOM 0 H ARG A 24 118.088 71.608 47.726 1.00 0.00 H new ATOM 0 HA ARG A 24 120.159 73.677 48.308 1.00 0.00 H new ATOM 0 HB2 ARG A 24 119.785 71.567 49.670 1.00 0.00 H new ATOM 0 HB3 ARG A 24 120.044 70.600 48.231 1.00 0.00 H new ATOM 0 HG2 ARG A 24 122.238 70.567 48.948 1.00 0.00 H new ATOM 0 HG3 ARG A 24 122.321 72.131 48.163 1.00 0.00 H new ATOM 0 HD2 ARG A 24 121.581 73.187 50.406 1.00 0.00 H new ATOM 0 HD3 ARG A 24 121.786 71.609 51.138 1.00 0.00 H new ATOM 0 HE ARG A 24 124.186 71.910 49.706 1.00 0.00 H new ATOM 0 HH11 ARG A 24 123.811 74.882 49.946 1.00 0.00 H new ATOM 0 HH12 ARG A 24 124.586 75.239 51.493 1.00 0.00 H new ATOM 0 HH21 ARG A 24 124.529 71.912 52.569 1.00 0.00 H new ATOM 0 HH22 ARG A 24 124.990 73.571 52.966 1.00 0.00 H new ATOM 386 N GLN A 25 120.487 71.605 45.769 1.00 0.00 N ATOM 387 CA GLN A 25 121.177 71.499 44.451 1.00 0.00 C ATOM 388 C GLN A 25 120.368 72.210 43.361 1.00 0.00 C ATOM 389 O GLN A 25 120.895 72.590 42.334 1.00 0.00 O ATOM 390 CB GLN A 25 121.260 69.998 44.166 1.00 0.00 C ATOM 391 CG GLN A 25 119.849 69.422 44.025 1.00 0.00 C ATOM 392 CD GLN A 25 119.740 68.126 44.829 1.00 0.00 C ATOM 393 OE1 GLN A 25 119.368 67.098 44.300 1.00 0.00 O ATOM 394 NE2 GLN A 25 120.051 68.132 46.097 1.00 0.00 N ATOM 0 H GLN A 25 119.920 70.798 46.028 1.00 0.00 H new ATOM 0 HA GLN A 25 122.161 71.968 44.466 1.00 0.00 H new ATOM 0 HB2 GLN A 25 121.828 69.822 43.253 1.00 0.00 H new ATOM 0 HB3 GLN A 25 121.790 69.493 44.973 1.00 0.00 H new ATOM 0 HG2 GLN A 25 119.114 70.144 44.379 1.00 0.00 H new ATOM 0 HG3 GLN A 25 119.627 69.230 42.975 1.00 0.00 H new ATOM 0 HE21 GLN A 25 120.363 68.995 46.541 1.00 0.00 H new ATOM 0 HE22 GLN A 25 119.982 67.273 46.643 1.00 0.00 H new ATOM 403 N GLN A 26 119.092 72.388 43.570 1.00 0.00 N ATOM 404 CA GLN A 26 118.256 73.067 42.538 1.00 0.00 C ATOM 405 C GLN A 26 118.423 72.367 41.184 1.00 0.00 C ATOM 406 O GLN A 26 119.129 72.852 40.322 1.00 0.00 O ATOM 407 CB GLN A 26 118.784 74.500 42.473 1.00 0.00 C ATOM 408 CG GLN A 26 117.668 75.473 42.857 1.00 0.00 C ATOM 409 CD GLN A 26 117.695 76.680 41.918 1.00 0.00 C ATOM 410 OE1 GLN A 26 116.902 76.770 41.002 1.00 0.00 O ATOM 411 NE2 GLN A 26 118.581 77.621 42.107 1.00 0.00 N ATOM 0 H GLN A 26 118.592 72.093 44.409 1.00 0.00 H new ATOM 0 HA GLN A 26 117.194 73.040 42.783 1.00 0.00 H new ATOM 0 HB2 GLN A 26 119.632 74.617 43.148 1.00 0.00 H new ATOM 0 HB3 GLN A 26 119.144 74.721 41.468 1.00 0.00 H new ATOM 0 HG2 GLN A 26 116.700 74.975 42.797 1.00 0.00 H new ATOM 0 HG3 GLN A 26 117.795 75.799 43.889 1.00 0.00 H new ATOM 0 HE21 GLN A 26 119.247 77.547 42.876 1.00 0.00 H new ATOM 0 HE22 GLN A 26 118.606 78.430 41.486 1.00 0.00 H new ATOM 420 N PRO A 27 117.769 71.240 41.039 1.00 0.00 N ATOM 421 CA PRO A 27 117.855 70.471 39.774 1.00 0.00 C ATOM 422 C PRO A 27 117.116 71.203 38.647 1.00 0.00 C ATOM 423 O PRO A 27 116.202 71.962 38.901 1.00 0.00 O ATOM 424 CB PRO A 27 117.168 69.148 40.107 1.00 0.00 C ATOM 425 CG PRO A 27 116.248 69.470 41.240 1.00 0.00 C ATOM 426 CD PRO A 27 116.896 70.582 42.021 1.00 0.00 C ATOM 0 HA PRO A 27 118.879 70.337 39.426 1.00 0.00 H new ATOM 0 HB2 PRO A 27 116.618 68.761 39.249 1.00 0.00 H new ATOM 0 HB3 PRO A 27 117.894 68.386 40.391 1.00 0.00 H new ATOM 0 HG2 PRO A 27 115.270 69.777 40.869 1.00 0.00 H new ATOM 0 HG3 PRO A 27 116.090 68.595 41.871 1.00 0.00 H new ATOM 0 HD2 PRO A 27 116.155 71.273 42.423 1.00 0.00 H new ATOM 0 HD3 PRO A 27 117.465 70.197 42.867 1.00 0.00 H new ATOM 434 N PRO A 28 117.537 70.952 37.430 1.00 0.00 N ATOM 435 CA PRO A 28 116.898 71.602 36.259 1.00 0.00 C ATOM 436 C PRO A 28 115.493 71.035 36.033 1.00 0.00 C ATOM 437 O PRO A 28 114.621 71.702 35.515 1.00 0.00 O ATOM 438 CB PRO A 28 117.824 71.246 35.099 1.00 0.00 C ATOM 439 CG PRO A 28 118.516 69.993 35.530 1.00 0.00 C ATOM 440 CD PRO A 28 118.628 70.053 37.031 1.00 0.00 C ATOM 0 HA PRO A 28 116.774 72.678 36.381 1.00 0.00 H new ATOM 0 HB2 PRO A 28 117.262 71.090 34.178 1.00 0.00 H new ATOM 0 HB3 PRO A 28 118.539 72.045 34.905 1.00 0.00 H new ATOM 0 HG2 PRO A 28 117.952 69.113 35.219 1.00 0.00 H new ATOM 0 HG3 PRO A 28 119.502 69.918 35.071 1.00 0.00 H new ATOM 0 HD2 PRO A 28 118.517 69.066 37.480 1.00 0.00 H new ATOM 0 HD3 PRO A 28 119.598 70.438 37.344 1.00 0.00 H new ATOM 448 N ASP A 29 115.270 69.810 36.421 1.00 0.00 N ATOM 449 CA ASP A 29 113.922 69.202 36.228 1.00 0.00 C ATOM 450 C ASP A 29 113.615 68.227 37.368 1.00 0.00 C ATOM 451 O ASP A 29 114.371 67.315 37.636 1.00 0.00 O ATOM 452 CB ASP A 29 114.008 68.460 34.894 1.00 0.00 C ATOM 453 CG ASP A 29 113.261 69.251 33.819 1.00 0.00 C ATOM 454 OD1 ASP A 29 113.868 70.128 33.227 1.00 0.00 O ATOM 455 OD2 ASP A 29 112.094 68.966 33.605 1.00 0.00 O ATOM 0 H ASP A 29 115.961 69.204 36.863 1.00 0.00 H new ATOM 0 HA ASP A 29 113.128 69.949 36.227 1.00 0.00 H new ATOM 0 HB2 ASP A 29 115.051 68.330 34.605 1.00 0.00 H new ATOM 0 HB3 ASP A 29 113.577 67.463 34.992 1.00 0.00 H new ATOM 460 N LEU A 30 112.512 68.412 38.039 1.00 0.00 N ATOM 461 CA LEU A 30 112.159 67.494 39.161 1.00 0.00 C ATOM 462 C LEU A 30 111.627 66.172 38.607 1.00 0.00 C ATOM 463 O LEU A 30 111.803 65.125 39.198 1.00 0.00 O ATOM 464 CB LEU A 30 111.068 68.224 39.949 1.00 0.00 C ATOM 465 CG LEU A 30 111.555 69.622 40.331 1.00 0.00 C ATOM 466 CD1 LEU A 30 110.693 70.674 39.631 1.00 0.00 C ATOM 467 CD2 LEU A 30 111.442 69.803 41.846 1.00 0.00 C ATOM 0 H LEU A 30 111.840 69.158 37.860 1.00 0.00 H new ATOM 0 HA LEU A 30 113.019 67.257 39.787 1.00 0.00 H new ATOM 0 HB2 LEU A 30 110.160 68.296 39.350 1.00 0.00 H new ATOM 0 HB3 LEU A 30 110.814 67.659 40.846 1.00 0.00 H new ATOM 0 HG LEU A 30 112.594 69.740 40.024 1.00 0.00 H new ATOM 0 HD11 LEU A 30 111.041 71.670 39.904 1.00 0.00 H new ATOM 0 HD12 LEU A 30 110.769 70.547 38.551 1.00 0.00 H new ATOM 0 HD13 LEU A 30 109.654 70.556 39.938 1.00 0.00 H new ATOM 0 HD21 LEU A 30 111.789 70.799 42.120 1.00 0.00 H new ATOM 0 HD22 LEU A 30 110.402 69.684 42.150 1.00 0.00 H new ATOM 0 HD23 LEU A 30 112.055 69.054 42.349 1.00 0.00 H new ATOM 479 N VAL A 31 110.981 66.209 37.474 1.00 0.00 N ATOM 480 CA VAL A 31 110.445 64.949 36.882 1.00 0.00 C ATOM 481 C VAL A 31 111.566 63.921 36.748 1.00 0.00 C ATOM 482 O VAL A 31 111.524 62.856 37.332 1.00 0.00 O ATOM 483 CB VAL A 31 109.932 65.354 35.501 1.00 0.00 C ATOM 484 CG1 VAL A 31 109.268 64.150 34.830 1.00 0.00 C ATOM 485 CG2 VAL A 31 108.910 66.483 35.650 1.00 0.00 C ATOM 0 H VAL A 31 110.801 67.055 36.933 1.00 0.00 H new ATOM 0 HA VAL A 31 109.664 64.499 37.495 1.00 0.00 H new ATOM 0 HB VAL A 31 110.766 65.696 34.888 1.00 0.00 H new ATOM 0 HG11 VAL A 31 108.902 64.439 33.845 1.00 0.00 H new ATOM 0 HG12 VAL A 31 109.995 63.345 34.725 1.00 0.00 H new ATOM 0 HG13 VAL A 31 108.433 63.807 35.441 1.00 0.00 H new ATOM 0 HG21 VAL A 31 108.543 66.774 34.666 1.00 0.00 H new ATOM 0 HG22 VAL A 31 108.076 66.140 36.262 1.00 0.00 H new ATOM 0 HG23 VAL A 31 109.383 67.341 36.129 1.00 0.00 H new ATOM 495 N ASP A 32 112.571 64.238 35.983 1.00 0.00 N ATOM 496 CA ASP A 32 113.705 63.292 35.805 1.00 0.00 C ATOM 497 C ASP A 32 114.442 63.104 37.133 1.00 0.00 C ATOM 498 O ASP A 32 114.753 61.998 37.529 1.00 0.00 O ATOM 499 CB ASP A 32 114.608 63.966 34.772 1.00 0.00 C ATOM 500 CG ASP A 32 115.200 62.908 33.840 1.00 0.00 C ATOM 501 OD1 ASP A 32 115.355 61.780 34.279 1.00 0.00 O ATOM 502 OD2 ASP A 32 115.489 63.243 32.703 1.00 0.00 O ATOM 0 H ASP A 32 112.656 65.116 35.471 1.00 0.00 H new ATOM 0 HA ASP A 32 113.383 62.302 35.482 1.00 0.00 H new ATOM 0 HB2 ASP A 32 114.038 64.695 34.196 1.00 0.00 H new ATOM 0 HB3 ASP A 32 115.407 64.512 35.274 1.00 0.00 H new ATOM 507 N PHE A 33 114.718 64.174 37.828 1.00 0.00 N ATOM 508 CA PHE A 33 115.427 64.047 39.133 1.00 0.00 C ATOM 509 C PHE A 33 114.622 63.153 40.077 1.00 0.00 C ATOM 510 O PHE A 33 115.150 62.254 40.701 1.00 0.00 O ATOM 511 CB PHE A 33 115.511 65.470 39.686 1.00 0.00 C ATOM 512 CG PHE A 33 116.175 65.437 41.042 1.00 0.00 C ATOM 513 CD1 PHE A 33 117.493 64.943 41.170 1.00 0.00 C ATOM 514 CD2 PHE A 33 115.479 65.894 42.184 1.00 0.00 C ATOM 515 CE1 PHE A 33 118.115 64.907 42.437 1.00 0.00 C ATOM 516 CE2 PHE A 33 116.101 65.856 43.452 1.00 0.00 C ATOM 517 CZ PHE A 33 117.418 65.364 43.579 1.00 0.00 C ATOM 0 H PHE A 33 114.484 65.127 37.550 1.00 0.00 H new ATOM 0 HA PHE A 33 116.414 63.598 39.025 1.00 0.00 H new ATOM 0 HB2 PHE A 33 116.078 66.105 39.005 1.00 0.00 H new ATOM 0 HB3 PHE A 33 114.513 65.901 39.767 1.00 0.00 H new ATOM 0 HD1 PHE A 33 118.025 64.593 40.298 1.00 0.00 H new ATOM 0 HD2 PHE A 33 114.472 66.272 42.087 1.00 0.00 H new ATOM 0 HE1 PHE A 33 119.123 64.531 42.534 1.00 0.00 H new ATOM 0 HE2 PHE A 33 115.568 66.204 44.325 1.00 0.00 H new ATOM 0 HZ PHE A 33 117.893 65.337 44.548 1.00 0.00 H new ATOM 527 N ALA A 34 113.345 63.394 40.183 1.00 0.00 N ATOM 528 CA ALA A 34 112.496 62.562 41.083 1.00 0.00 C ATOM 529 C ALA A 34 112.689 61.076 40.767 1.00 0.00 C ATOM 530 O ALA A 34 112.659 60.236 41.645 1.00 0.00 O ATOM 531 CB ALA A 34 111.060 62.994 40.780 1.00 0.00 C ATOM 0 H ALA A 34 112.851 64.133 39.684 1.00 0.00 H new ATOM 0 HA ALA A 34 112.750 62.698 42.134 1.00 0.00 H new ATOM 0 HB1 ALA A 34 110.370 62.426 41.404 1.00 0.00 H new ATOM 0 HB2 ALA A 34 110.948 64.058 40.990 1.00 0.00 H new ATOM 0 HB3 ALA A 34 110.838 62.806 39.730 1.00 0.00 H new ATOM 537 N VAL A 35 112.889 60.744 39.520 1.00 0.00 N ATOM 538 CA VAL A 35 113.084 59.319 39.151 1.00 0.00 C ATOM 539 C VAL A 35 114.531 58.896 39.426 1.00 0.00 C ATOM 540 O VAL A 35 114.785 57.914 40.093 1.00 0.00 O ATOM 541 CB VAL A 35 112.782 59.270 37.654 1.00 0.00 C ATOM 542 CG1 VAL A 35 113.051 57.866 37.127 1.00 0.00 C ATOM 543 CG2 VAL A 35 111.313 59.631 37.418 1.00 0.00 C ATOM 0 H VAL A 35 112.925 61.402 38.742 1.00 0.00 H new ATOM 0 HA VAL A 35 112.447 58.644 39.722 1.00 0.00 H new ATOM 0 HB VAL A 35 113.420 59.982 37.131 1.00 0.00 H new ATOM 0 HG11 VAL A 35 112.836 57.831 36.059 1.00 0.00 H new ATOM 0 HG12 VAL A 35 114.097 57.608 37.295 1.00 0.00 H new ATOM 0 HG13 VAL A 35 112.413 57.153 37.649 1.00 0.00 H new ATOM 0 HG21 VAL A 35 111.097 59.596 36.350 1.00 0.00 H new ATOM 0 HG22 VAL A 35 110.675 58.919 37.941 1.00 0.00 H new ATOM 0 HG23 VAL A 35 111.120 60.635 37.795 1.00 0.00 H new ATOM 553 N GLU A 36 115.479 59.633 38.916 1.00 0.00 N ATOM 554 CA GLU A 36 116.909 59.276 39.144 1.00 0.00 C ATOM 555 C GLU A 36 117.194 59.128 40.641 1.00 0.00 C ATOM 556 O GLU A 36 117.913 58.244 41.061 1.00 0.00 O ATOM 557 CB GLU A 36 117.705 60.445 38.562 1.00 0.00 C ATOM 558 CG GLU A 36 117.430 60.553 37.061 1.00 0.00 C ATOM 559 CD GLU A 36 118.756 60.654 36.306 1.00 0.00 C ATOM 560 OE1 GLU A 36 119.578 61.467 36.697 1.00 0.00 O ATOM 561 OE2 GLU A 36 118.928 59.917 35.348 1.00 0.00 O ATOM 0 H GLU A 36 115.326 60.468 38.351 1.00 0.00 H new ATOM 0 HA GLU A 36 117.173 58.326 38.679 1.00 0.00 H new ATOM 0 HB2 GLU A 36 117.426 61.373 39.061 1.00 0.00 H new ATOM 0 HB3 GLU A 36 118.770 60.296 38.737 1.00 0.00 H new ATOM 0 HG2 GLU A 36 116.870 59.682 36.719 1.00 0.00 H new ATOM 0 HG3 GLU A 36 116.814 61.429 36.855 1.00 0.00 H new ATOM 568 N TYR A 37 116.640 59.990 41.451 1.00 0.00 N ATOM 569 CA TYR A 37 116.886 59.895 42.919 1.00 0.00 C ATOM 570 C TYR A 37 116.180 58.665 43.499 1.00 0.00 C ATOM 571 O TYR A 37 116.812 57.720 43.926 1.00 0.00 O ATOM 572 CB TYR A 37 116.295 61.182 43.504 1.00 0.00 C ATOM 573 CG TYR A 37 116.368 61.134 45.013 1.00 0.00 C ATOM 574 CD1 TYR A 37 117.614 61.266 45.665 1.00 0.00 C ATOM 575 CD2 TYR A 37 115.189 60.953 45.770 1.00 0.00 C ATOM 576 CE1 TYR A 37 117.681 61.218 47.076 1.00 0.00 C ATOM 577 CE2 TYR A 37 115.256 60.904 47.180 1.00 0.00 C ATOM 578 CZ TYR A 37 116.502 61.037 47.833 1.00 0.00 C ATOM 579 OH TYR A 37 116.567 60.989 49.211 1.00 0.00 O ATOM 0 H TYR A 37 116.029 60.754 41.161 1.00 0.00 H new ATOM 0 HA TYR A 37 117.945 59.789 43.154 1.00 0.00 H new ATOM 0 HB2 TYR A 37 116.842 62.048 43.131 1.00 0.00 H new ATOM 0 HB3 TYR A 37 115.260 61.297 43.184 1.00 0.00 H new ATOM 0 HD1 TYR A 37 118.515 61.404 45.086 1.00 0.00 H new ATOM 0 HD2 TYR A 37 114.237 60.852 45.271 1.00 0.00 H new ATOM 0 HE1 TYR A 37 118.633 61.320 47.575 1.00 0.00 H new ATOM 0 HE2 TYR A 37 114.355 60.765 47.759 1.00 0.00 H new ATOM 0 HH TYR A 37 115.667 60.860 49.577 1.00 0.00 H new ATOM 589 N PHE A 38 114.875 58.674 43.522 1.00 0.00 N ATOM 590 CA PHE A 38 114.128 57.509 44.080 1.00 0.00 C ATOM 591 C PHE A 38 114.628 56.202 43.458 1.00 0.00 C ATOM 592 O PHE A 38 114.809 55.211 44.137 1.00 0.00 O ATOM 593 CB PHE A 38 112.668 57.762 43.711 1.00 0.00 C ATOM 594 CG PHE A 38 112.003 58.550 44.814 1.00 0.00 C ATOM 595 CD1 PHE A 38 112.024 58.063 46.141 1.00 0.00 C ATOM 596 CD2 PHE A 38 111.361 59.774 44.522 1.00 0.00 C ATOM 597 CE1 PHE A 38 111.404 58.800 47.174 1.00 0.00 C ATOM 598 CE2 PHE A 38 110.739 60.511 45.556 1.00 0.00 C ATOM 599 CZ PHE A 38 110.762 60.024 46.882 1.00 0.00 C ATOM 0 H PHE A 38 114.293 59.438 43.178 1.00 0.00 H new ATOM 0 HA PHE A 38 114.264 57.411 45.157 1.00 0.00 H new ATOM 0 HB2 PHE A 38 112.608 58.310 42.771 1.00 0.00 H new ATOM 0 HB3 PHE A 38 112.149 56.815 43.562 1.00 0.00 H new ATOM 0 HD1 PHE A 38 112.514 57.127 46.365 1.00 0.00 H new ATOM 0 HD2 PHE A 38 111.345 60.147 43.509 1.00 0.00 H new ATOM 0 HE1 PHE A 38 111.421 58.428 48.188 1.00 0.00 H new ATOM 0 HE2 PHE A 38 110.247 61.446 45.332 1.00 0.00 H new ATOM 0 HZ PHE A 38 110.289 60.588 47.672 1.00 0.00 H new ATOM 609 N THR A 39 114.857 56.190 42.173 1.00 0.00 N ATOM 610 CA THR A 39 115.350 54.944 41.519 1.00 0.00 C ATOM 611 C THR A 39 116.675 54.511 42.156 1.00 0.00 C ATOM 612 O THR A 39 116.946 53.336 42.308 1.00 0.00 O ATOM 613 CB THR A 39 115.552 55.317 40.049 1.00 0.00 C ATOM 614 OG1 THR A 39 114.294 55.622 39.463 1.00 0.00 O ATOM 615 CG2 THR A 39 116.191 54.143 39.303 1.00 0.00 C ATOM 0 H THR A 39 114.725 56.986 41.549 1.00 0.00 H new ATOM 0 HA THR A 39 114.655 54.112 41.630 1.00 0.00 H new ATOM 0 HB THR A 39 116.207 56.186 39.982 1.00 0.00 H new ATOM 0 HG1 THR A 39 114.004 56.512 39.755 1.00 0.00 H new ATOM 0 HG21 THR A 39 116.334 54.411 38.256 1.00 0.00 H new ATOM 0 HG22 THR A 39 117.156 53.908 39.752 1.00 0.00 H new ATOM 0 HG23 THR A 39 115.539 53.272 39.369 1.00 0.00 H new ATOM 623 N ARG A 40 117.498 55.451 42.534 1.00 0.00 N ATOM 624 CA ARG A 40 118.800 55.090 43.164 1.00 0.00 C ATOM 625 C ARG A 40 118.557 54.426 44.522 1.00 0.00 C ATOM 626 O ARG A 40 119.190 53.449 44.868 1.00 0.00 O ATOM 627 CB ARG A 40 119.540 56.417 43.339 1.00 0.00 C ATOM 628 CG ARG A 40 120.947 56.150 43.878 1.00 0.00 C ATOM 629 CD ARG A 40 121.983 56.551 42.826 1.00 0.00 C ATOM 630 NE ARG A 40 122.445 55.265 42.233 1.00 0.00 N ATOM 631 CZ ARG A 40 123.661 55.159 41.770 1.00 0.00 C ATOM 632 NH1 ARG A 40 124.671 55.564 42.491 1.00 0.00 N ATOM 633 NH2 ARG A 40 123.866 54.649 40.587 1.00 0.00 N ATOM 0 H ARG A 40 117.326 56.451 42.434 1.00 0.00 H new ATOM 0 HA ARG A 40 119.372 54.385 42.560 1.00 0.00 H new ATOM 0 HB2 ARG A 40 119.598 56.942 42.385 1.00 0.00 H new ATOM 0 HB3 ARG A 40 118.993 57.063 44.025 1.00 0.00 H new ATOM 0 HG2 ARG A 40 121.109 56.714 44.796 1.00 0.00 H new ATOM 0 HG3 ARG A 40 121.058 55.095 44.129 1.00 0.00 H new ATOM 0 HD2 ARG A 40 121.545 57.201 42.068 1.00 0.00 H new ATOM 0 HD3 ARG A 40 122.811 57.099 43.276 1.00 0.00 H new ATOM 0 HE ARG A 40 121.811 54.467 42.189 1.00 0.00 H new ATOM 0 HH11 ARG A 40 124.510 55.963 43.416 1.00 0.00 H new ATOM 0 HH12 ARG A 40 125.621 55.481 42.130 1.00 0.00 H new ATOM 0 HH21 ARG A 40 123.076 54.333 40.024 1.00 0.00 H new ATOM 0 HH22 ARG A 40 124.816 54.566 40.225 1.00 0.00 H new ATOM 647 N LEU A 41 117.641 54.948 45.292 1.00 0.00 N ATOM 648 CA LEU A 41 117.355 54.344 46.623 1.00 0.00 C ATOM 649 C LEU A 41 116.918 52.885 46.453 1.00 0.00 C ATOM 650 O LEU A 41 117.230 52.036 47.263 1.00 0.00 O ATOM 651 CB LEU A 41 116.215 55.183 47.204 1.00 0.00 C ATOM 652 CG LEU A 41 116.789 56.437 47.861 1.00 0.00 C ATOM 653 CD1 LEU A 41 115.646 57.359 48.290 1.00 0.00 C ATOM 654 CD2 LEU A 41 117.609 56.039 49.090 1.00 0.00 C ATOM 0 H LEU A 41 117.079 55.766 45.056 1.00 0.00 H new ATOM 0 HA LEU A 41 118.229 54.342 47.274 1.00 0.00 H new ATOM 0 HB2 LEU A 41 115.515 55.460 46.416 1.00 0.00 H new ATOM 0 HB3 LEU A 41 115.656 54.600 47.936 1.00 0.00 H new ATOM 0 HG LEU A 41 117.429 56.958 47.149 1.00 0.00 H new ATOM 0 HD11 LEU A 41 116.056 58.253 48.759 1.00 0.00 H new ATOM 0 HD12 LEU A 41 115.060 57.644 47.416 1.00 0.00 H new ATOM 0 HD13 LEU A 41 115.006 56.838 49.002 1.00 0.00 H new ATOM 0 HD21 LEU A 41 118.019 56.933 49.559 1.00 0.00 H new ATOM 0 HD22 LEU A 41 116.969 55.517 49.801 1.00 0.00 H new ATOM 0 HD23 LEU A 41 118.424 55.383 48.786 1.00 0.00 H new ATOM 666 N ARG A 42 116.200 52.593 45.404 1.00 0.00 N ATOM 667 CA ARG A 42 115.744 51.189 45.179 1.00 0.00 C ATOM 668 C ARG A 42 116.948 50.243 45.155 1.00 0.00 C ATOM 669 O ARG A 42 116.891 49.137 45.654 1.00 0.00 O ATOM 670 CB ARG A 42 115.053 51.211 43.815 1.00 0.00 C ATOM 671 CG ARG A 42 113.562 50.914 43.989 1.00 0.00 C ATOM 672 CD ARG A 42 113.382 49.487 44.511 1.00 0.00 C ATOM 673 NE ARG A 42 113.821 48.609 43.390 1.00 0.00 N ATOM 674 CZ ARG A 42 112.938 48.105 42.571 1.00 0.00 C ATOM 675 NH1 ARG A 42 112.588 48.764 41.501 1.00 0.00 N ATOM 676 NH2 ARG A 42 112.406 46.940 42.824 1.00 0.00 N ATOM 0 H ARG A 42 115.909 53.264 44.693 1.00 0.00 H new ATOM 0 HA ARG A 42 115.078 50.838 45.967 1.00 0.00 H new ATOM 0 HB2 ARG A 42 115.187 52.185 43.344 1.00 0.00 H new ATOM 0 HB3 ARG A 42 115.507 50.472 43.155 1.00 0.00 H new ATOM 0 HG2 ARG A 42 113.118 51.626 44.685 1.00 0.00 H new ATOM 0 HG3 ARG A 42 113.044 51.032 43.038 1.00 0.00 H new ATOM 0 HD2 ARG A 42 113.981 49.315 45.405 1.00 0.00 H new ATOM 0 HD3 ARG A 42 112.344 49.293 44.781 1.00 0.00 H new ATOM 0 HE ARG A 42 114.812 48.402 43.262 1.00 0.00 H new ATOM 0 HH11 ARG A 42 113.004 49.674 41.304 1.00 0.00 H new ATOM 0 HH12 ARG A 42 111.898 48.369 40.862 1.00 0.00 H new ATOM 0 HH21 ARG A 42 112.680 46.425 43.661 1.00 0.00 H new ATOM 0 HH22 ARG A 42 111.716 46.545 42.185 1.00 0.00 H new ATOM 690 N GLU A 43 118.036 50.670 44.575 1.00 0.00 N ATOM 691 CA GLU A 43 119.244 49.797 44.518 1.00 0.00 C ATOM 692 C GLU A 43 119.901 49.697 45.899 1.00 0.00 C ATOM 693 O GLU A 43 120.725 48.837 46.142 1.00 0.00 O ATOM 694 CB GLU A 43 120.181 50.487 43.526 1.00 0.00 C ATOM 695 CG GLU A 43 120.037 49.836 42.149 1.00 0.00 C ATOM 696 CD GLU A 43 119.777 50.916 41.097 1.00 0.00 C ATOM 697 OE1 GLU A 43 118.730 51.538 41.160 1.00 0.00 O ATOM 698 OE2 GLU A 43 120.631 51.103 40.244 1.00 0.00 O ATOM 0 H GLU A 43 118.141 51.586 44.138 1.00 0.00 H new ATOM 0 HA GLU A 43 119.001 48.779 44.213 1.00 0.00 H new ATOM 0 HB2 GLU A 43 119.944 51.549 43.464 1.00 0.00 H new ATOM 0 HB3 GLU A 43 121.212 50.410 43.870 1.00 0.00 H new ATOM 0 HG2 GLU A 43 120.942 49.282 41.901 1.00 0.00 H new ATOM 0 HG3 GLU A 43 119.217 49.118 42.159 1.00 0.00 H new ATOM 705 N ALA A 44 119.547 50.567 46.807 1.00 0.00 N ATOM 706 CA ALA A 44 120.157 50.515 48.167 1.00 0.00 C ATOM 707 C ALA A 44 119.332 49.621 49.089 1.00 0.00 C ATOM 708 O ALA A 44 119.800 48.613 49.579 1.00 0.00 O ATOM 709 CB ALA A 44 120.113 51.953 48.680 1.00 0.00 C ATOM 0 H ALA A 44 118.863 51.310 46.666 1.00 0.00 H new ATOM 0 HA ALA A 44 121.169 50.111 48.138 1.00 0.00 H new ATOM 0 HB1 ALA A 44 120.546 51.996 49.679 1.00 0.00 H new ATOM 0 HB2 ALA A 44 120.683 52.596 48.010 1.00 0.00 H new ATOM 0 HB3 ALA A 44 119.079 52.294 48.718 1.00 0.00 H new ATOM 715 N ARG A 45 118.108 49.998 49.342 1.00 0.00 N ATOM 716 CA ARG A 45 117.245 49.191 50.247 1.00 0.00 C ATOM 717 C ARG A 45 117.302 47.705 49.875 1.00 0.00 C ATOM 718 O ARG A 45 117.254 47.344 48.715 1.00 0.00 O ATOM 719 CB ARG A 45 115.834 49.742 50.043 1.00 0.00 C ATOM 720 CG ARG A 45 115.525 50.773 51.131 1.00 0.00 C ATOM 721 CD ARG A 45 114.437 50.227 52.058 1.00 0.00 C ATOM 722 NE ARG A 45 114.085 51.367 52.949 1.00 0.00 N ATOM 723 CZ ARG A 45 113.238 51.193 53.927 1.00 0.00 C ATOM 724 NH1 ARG A 45 113.385 50.186 54.744 1.00 0.00 N ATOM 725 NH2 ARG A 45 112.247 52.026 54.089 1.00 0.00 N ATOM 0 H ARG A 45 117.668 50.834 48.958 1.00 0.00 H new ATOM 0 HA ARG A 45 117.568 49.261 51.286 1.00 0.00 H new ATOM 0 HB2 ARG A 45 115.751 50.201 49.058 1.00 0.00 H new ATOM 0 HB3 ARG A 45 115.107 48.931 50.079 1.00 0.00 H new ATOM 0 HG2 ARG A 45 116.426 50.996 51.702 1.00 0.00 H new ATOM 0 HG3 ARG A 45 115.196 51.708 50.678 1.00 0.00 H new ATOM 0 HD2 ARG A 45 113.570 49.886 51.492 1.00 0.00 H new ATOM 0 HD3 ARG A 45 114.799 49.374 52.632 1.00 0.00 H new ATOM 0 HE ARG A 45 114.506 52.283 52.795 1.00 0.00 H new ATOM 0 HH11 ARG A 45 114.161 49.536 54.618 1.00 0.00 H new ATOM 0 HH12 ARG A 45 112.724 50.049 55.509 1.00 0.00 H new ATOM 0 HH21 ARG A 45 112.134 52.814 53.451 1.00 0.00 H new ATOM 0 HH22 ARG A 45 111.586 51.889 54.853 1.00 0.00 H new ATOM 739 N ARG A 46 117.408 46.843 50.849 1.00 0.00 N ATOM 740 CA ARG A 46 117.471 45.383 50.552 1.00 0.00 C ATOM 741 C ARG A 46 116.093 44.871 50.123 1.00 0.00 C ATOM 742 O ARG A 46 115.425 45.574 49.383 1.00 0.00 O ATOM 743 CB ARG A 46 117.899 44.730 51.866 1.00 0.00 C ATOM 744 CG ARG A 46 118.825 43.548 51.571 1.00 0.00 C ATOM 745 CD ARG A 46 118.547 42.419 52.565 1.00 0.00 C ATOM 746 NE ARG A 46 119.464 41.318 52.161 1.00 0.00 N ATOM 747 CZ ARG A 46 119.578 40.256 52.910 1.00 0.00 C ATOM 748 NH1 ARG A 46 118.640 39.348 52.899 1.00 0.00 N ATOM 749 NH2 ARG A 46 120.627 40.102 53.671 1.00 0.00 N ATOM 750 OXT ARG A 46 115.731 43.783 50.541 1.00 0.00 O ATOM 0 H ARG A 46 117.454 47.086 51.838 1.00 0.00 H new ATOM 0 HA ARG A 46 118.162 45.156 49.740 1.00 0.00 H new ATOM 0 HB2 ARG A 46 118.410 45.458 52.496 1.00 0.00 H new ATOM 0 HB3 ARG A 46 117.023 44.390 52.418 1.00 0.00 H new ATOM 0 HG2 ARG A 46 118.668 43.196 50.552 1.00 0.00 H new ATOM 0 HG3 ARG A 46 119.866 43.862 51.643 1.00 0.00 H new ATOM 0 HD2 ARG A 46 118.740 42.738 53.589 1.00 0.00 H new ATOM 0 HD3 ARG A 46 117.505 42.102 52.521 1.00 0.00 H new ATOM 0 HE ARG A 46 120.003 41.394 51.299 1.00 0.00 H new ATOM 0 HH11 ARG A 46 117.820 39.470 52.305 1.00 0.00 H new ATOM 0 HH12 ARG A 46 118.728 38.517 53.484 1.00 0.00 H new ATOM 0 HH21 ARG A 46 121.359 40.812 53.681 1.00 0.00 H new ATOM 0 HH22 ARG A 46 120.715 39.271 54.256 1.00 0.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 122.273 93.237 51.119 1.00 0.00 N ATOM 766 CA HIS B 1 120.882 92.935 50.674 1.00 0.00 C ATOM 767 C HIS B 1 120.836 92.783 49.151 1.00 0.00 C ATOM 768 O HIS B 1 121.255 93.656 48.418 1.00 0.00 O ATOM 769 CB HIS B 1 120.052 94.138 51.119 1.00 0.00 C ATOM 770 CG HIS B 1 118.602 93.747 51.193 1.00 0.00 C ATOM 771 ND1 HIS B 1 118.155 92.719 52.007 1.00 0.00 N ATOM 772 CD2 HIS B 1 117.487 94.236 50.559 1.00 0.00 C ATOM 773 CE1 HIS B 1 116.823 92.622 51.844 1.00 0.00 C ATOM 774 NE2 HIS B 1 116.364 93.525 50.972 1.00 0.00 N ATOM 0 H1 HIS B 1 122.292 93.338 52.154 1.00 0.00 H new ATOM 0 H2 HIS B 1 122.904 92.461 50.835 1.00 0.00 H new ATOM 0 H3 HIS B 1 122.594 94.123 50.679 1.00 0.00 H new ATOM 0 HA HIS B 1 120.506 92.004 51.097 1.00 0.00 H new ATOM 0 HB2 HIS B 1 120.395 94.490 52.092 1.00 0.00 H new ATOM 0 HB3 HIS B 1 120.182 94.962 50.418 1.00 0.00 H new ATOM 0 HD2 HIS B 1 117.482 95.049 49.848 1.00 0.00 H new ATOM 0 HE1 HIS B 1 116.201 91.902 52.355 1.00 0.00 H new ATOM 0 HE2 HIS B 1 115.399 93.663 50.673 1.00 0.00 H new ATOM 784 N MET B 2 120.330 91.681 48.669 1.00 0.00 N ATOM 785 CA MET B 2 120.259 91.476 47.194 1.00 0.00 C ATOM 786 C MET B 2 118.885 90.925 46.800 1.00 0.00 C ATOM 787 O MET B 2 118.283 91.362 45.839 1.00 0.00 O ATOM 788 CB MET B 2 121.355 90.456 46.885 1.00 0.00 C ATOM 789 CG MET B 2 122.505 91.148 46.150 1.00 0.00 C ATOM 790 SD MET B 2 123.564 91.993 47.350 1.00 0.00 S ATOM 791 CE MET B 2 124.019 93.397 46.302 1.00 0.00 C ATOM 0 H MET B 2 119.963 90.914 49.232 1.00 0.00 H new ATOM 0 HA MET B 2 120.397 92.405 46.640 1.00 0.00 H new ATOM 0 HB2 MET B 2 121.718 90.006 47.809 1.00 0.00 H new ATOM 0 HB3 MET B 2 120.953 89.648 46.274 1.00 0.00 H new ATOM 0 HG2 MET B 2 123.085 90.416 45.589 1.00 0.00 H new ATOM 0 HG3 MET B 2 122.111 91.864 45.428 1.00 0.00 H new ATOM 0 HE1 MET B 2 124.684 94.062 46.853 1.00 0.00 H new ATOM 0 HE2 MET B 2 124.527 93.034 45.409 1.00 0.00 H new ATOM 0 HE3 MET B 2 123.120 93.941 46.012 1.00 0.00 H new ATOM 801 N GLY B 3 118.384 89.970 47.534 1.00 0.00 N ATOM 802 CA GLY B 3 117.049 89.396 47.199 1.00 0.00 C ATOM 803 C GLY B 3 116.970 87.953 47.702 1.00 0.00 C ATOM 804 O GLY B 3 117.951 87.379 48.130 1.00 0.00 O ATOM 0 H GLY B 3 118.840 89.562 48.350 1.00 0.00 H new ATOM 0 HA2 GLY B 3 116.260 89.994 47.655 1.00 0.00 H new ATOM 0 HA3 GLY B 3 116.889 89.425 46.121 1.00 0.00 H new ATOM 808 N HIS B 4 115.807 87.362 47.654 1.00 0.00 N ATOM 809 CA HIS B 4 115.665 85.956 48.129 1.00 0.00 C ATOM 810 C HIS B 4 114.578 85.234 47.328 1.00 0.00 C ATOM 811 O HIS B 4 113.435 85.168 47.734 1.00 0.00 O ATOM 812 CB HIS B 4 115.261 86.075 49.599 1.00 0.00 C ATOM 813 CG HIS B 4 116.441 86.541 50.406 1.00 0.00 C ATOM 814 ND1 HIS B 4 117.667 85.896 50.360 1.00 0.00 N ATOM 815 CD2 HIS B 4 116.599 87.587 51.281 1.00 0.00 C ATOM 816 CE1 HIS B 4 118.502 86.555 51.184 1.00 0.00 C ATOM 817 NE2 HIS B 4 117.902 87.594 51.772 1.00 0.00 N ATOM 0 H HIS B 4 114.950 87.792 47.307 1.00 0.00 H new ATOM 0 HA HIS B 4 116.583 85.382 48.004 1.00 0.00 H new ATOM 0 HB2 HIS B 4 114.434 86.778 49.704 1.00 0.00 H new ATOM 0 HB3 HIS B 4 114.910 85.112 49.970 1.00 0.00 H new ATOM 0 HD2 HIS B 4 115.830 88.296 51.548 1.00 0.00 H new ATOM 0 HE1 HIS B 4 119.533 86.278 51.350 1.00 0.00 H new ATOM 0 HE2 HIS B 4 118.310 88.251 52.437 1.00 0.00 H new ATOM 825 N ILE B 5 114.927 84.689 46.195 1.00 0.00 N ATOM 826 CA ILE B 5 113.915 83.970 45.369 1.00 0.00 C ATOM 827 C ILE B 5 114.232 82.471 45.333 1.00 0.00 C ATOM 828 O ILE B 5 114.498 81.908 44.290 1.00 0.00 O ATOM 829 CB ILE B 5 114.033 84.582 43.971 1.00 0.00 C ATOM 830 CG1 ILE B 5 112.962 83.976 43.060 1.00 0.00 C ATOM 831 CG2 ILE B 5 115.421 84.291 43.392 1.00 0.00 C ATOM 832 CD1 ILE B 5 112.128 85.097 42.436 1.00 0.00 C ATOM 0 H ILE B 5 115.869 84.710 45.805 1.00 0.00 H new ATOM 0 HA ILE B 5 112.907 84.071 45.770 1.00 0.00 H new ATOM 0 HB ILE B 5 113.891 85.661 44.036 1.00 0.00 H new ATOM 0 HG12 ILE B 5 113.430 83.378 42.278 1.00 0.00 H new ATOM 0 HG13 ILE B 5 112.320 83.306 43.632 1.00 0.00 H new ATOM 0 HG21 ILE B 5 115.499 84.729 42.397 1.00 0.00 H new ATOM 0 HG22 ILE B 5 116.183 84.724 44.040 1.00 0.00 H new ATOM 0 HG23 ILE B 5 115.569 83.213 43.327 1.00 0.00 H new ATOM 0 HD11 ILE B 5 111.366 84.665 41.787 1.00 0.00 H new ATOM 0 HD12 ILE B 5 111.648 85.676 43.225 1.00 0.00 H new ATOM 0 HD13 ILE B 5 112.776 85.749 41.850 1.00 0.00 H new ATOM 844 N GLN B 6 114.208 81.824 46.465 1.00 0.00 N ATOM 845 CA GLN B 6 114.510 80.364 46.494 1.00 0.00 C ATOM 846 C GLN B 6 113.237 79.565 46.786 1.00 0.00 C ATOM 847 O GLN B 6 113.250 78.608 47.536 1.00 0.00 O ATOM 848 CB GLN B 6 115.523 80.191 47.626 1.00 0.00 C ATOM 849 CG GLN B 6 116.940 80.351 47.068 1.00 0.00 C ATOM 850 CD GLN B 6 117.951 79.828 48.090 1.00 0.00 C ATOM 851 OE1 GLN B 6 118.209 78.642 48.155 1.00 0.00 O ATOM 852 NE2 GLN B 6 118.539 80.669 48.897 1.00 0.00 N ATOM 0 H GLN B 6 113.993 82.242 47.370 1.00 0.00 H new ATOM 0 HA GLN B 6 114.898 80.004 45.541 1.00 0.00 H new ATOM 0 HB2 GLN B 6 115.342 80.930 48.407 1.00 0.00 H new ATOM 0 HB3 GLN B 6 115.409 79.208 48.084 1.00 0.00 H new ATOM 0 HG2 GLN B 6 117.037 79.803 46.131 1.00 0.00 H new ATOM 0 HG3 GLN B 6 117.139 81.400 46.847 1.00 0.00 H new ATOM 0 HE21 GLN B 6 118.323 81.664 48.842 1.00 0.00 H new ATOM 0 HE22 GLN B 6 119.215 80.331 49.582 1.00 0.00 H new ATOM 861 N ILE B 7 112.137 79.948 46.198 1.00 0.00 N ATOM 862 CA ILE B 7 110.865 79.210 46.441 1.00 0.00 C ATOM 863 C ILE B 7 110.201 78.850 45.106 1.00 0.00 C ATOM 864 O ILE B 7 109.338 79.564 44.634 1.00 0.00 O ATOM 865 CB ILE B 7 109.988 80.180 47.233 1.00 0.00 C ATOM 866 CG1 ILE B 7 110.670 80.513 48.563 1.00 0.00 C ATOM 867 CG2 ILE B 7 108.628 79.537 47.507 1.00 0.00 C ATOM 868 CD1 ILE B 7 110.869 79.228 49.369 1.00 0.00 C ATOM 0 H ILE B 7 112.064 80.740 45.560 1.00 0.00 H new ATOM 0 HA ILE B 7 111.025 78.276 46.979 1.00 0.00 H new ATOM 0 HB ILE B 7 109.847 81.093 46.655 1.00 0.00 H new ATOM 0 HG12 ILE B 7 111.631 80.993 48.381 1.00 0.00 H new ATOM 0 HG13 ILE B 7 110.063 81.220 49.129 1.00 0.00 H new ATOM 0 HG21 ILE B 7 108.005 80.230 48.072 1.00 0.00 H new ATOM 0 HG22 ILE B 7 108.141 79.299 46.561 1.00 0.00 H new ATOM 0 HG23 ILE B 7 108.767 78.623 48.084 1.00 0.00 H new ATOM 0 HD11 ILE B 7 111.354 79.464 50.316 1.00 0.00 H new ATOM 0 HD12 ILE B 7 109.901 78.766 49.563 1.00 0.00 H new ATOM 0 HD13 ILE B 7 111.494 78.537 48.803 1.00 0.00 H new ATOM 880 N PRO B 8 110.626 77.749 44.535 1.00 0.00 N ATOM 881 CA PRO B 8 110.058 77.300 43.241 1.00 0.00 C ATOM 882 C PRO B 8 108.626 76.779 43.433 1.00 0.00 C ATOM 883 O PRO B 8 108.422 75.777 44.091 1.00 0.00 O ATOM 884 CB PRO B 8 110.991 76.174 42.809 1.00 0.00 C ATOM 885 CG PRO B 8 111.593 75.666 44.076 1.00 0.00 C ATOM 886 CD PRO B 8 111.658 76.828 45.031 1.00 0.00 C ATOM 0 HA PRO B 8 109.993 78.100 42.503 1.00 0.00 H new ATOM 0 HB2 PRO B 8 110.446 75.387 42.288 1.00 0.00 H new ATOM 0 HB3 PRO B 8 111.758 76.537 42.125 1.00 0.00 H new ATOM 0 HG2 PRO B 8 110.991 74.858 44.492 1.00 0.00 H new ATOM 0 HG3 PRO B 8 112.588 75.260 43.894 1.00 0.00 H new ATOM 0 HD2 PRO B 8 111.456 76.515 46.055 1.00 0.00 H new ATOM 0 HD3 PRO B 8 112.644 77.293 45.028 1.00 0.00 H new ATOM 894 N PRO B 9 107.674 77.473 42.855 1.00 0.00 N ATOM 895 CA PRO B 9 106.255 77.055 42.980 1.00 0.00 C ATOM 896 C PRO B 9 105.989 75.806 42.134 1.00 0.00 C ATOM 897 O PRO B 9 106.754 75.466 41.254 1.00 0.00 O ATOM 898 CB PRO B 9 105.477 78.253 42.441 1.00 0.00 C ATOM 899 CG PRO B 9 106.428 78.952 41.524 1.00 0.00 C ATOM 900 CD PRO B 9 107.818 78.690 42.044 1.00 0.00 C ATOM 0 HA PRO B 9 105.974 76.796 44.001 1.00 0.00 H new ATOM 0 HB2 PRO B 9 104.580 77.934 41.911 1.00 0.00 H new ATOM 0 HB3 PRO B 9 105.154 78.909 43.249 1.00 0.00 H new ATOM 0 HG2 PRO B 9 106.322 78.582 40.504 1.00 0.00 H new ATOM 0 HG3 PRO B 9 106.222 80.022 41.498 1.00 0.00 H new ATOM 0 HD2 PRO B 9 108.527 78.544 41.229 1.00 0.00 H new ATOM 0 HD3 PRO B 9 108.184 79.525 42.640 1.00 0.00 H new ATOM 908 N GLY B 10 104.911 75.119 42.398 1.00 0.00 N ATOM 909 CA GLY B 10 104.598 73.893 41.612 1.00 0.00 C ATOM 910 C GLY B 10 105.109 72.664 42.365 1.00 0.00 C ATOM 911 O GLY B 10 104.563 71.585 42.258 1.00 0.00 O ATOM 0 H GLY B 10 104.234 75.354 43.124 1.00 0.00 H new ATOM 0 HA2 GLY B 10 103.523 73.814 41.452 1.00 0.00 H new ATOM 0 HA3 GLY B 10 105.063 73.950 40.628 1.00 0.00 H new ATOM 915 N LEU B 11 106.155 72.821 43.129 1.00 0.00 N ATOM 916 CA LEU B 11 106.704 71.665 43.891 1.00 0.00 C ATOM 917 C LEU B 11 105.677 71.172 44.914 1.00 0.00 C ATOM 918 O LEU B 11 105.527 69.987 45.136 1.00 0.00 O ATOM 919 CB LEU B 11 107.944 72.212 44.598 1.00 0.00 C ATOM 920 CG LEU B 11 108.979 71.098 44.752 1.00 0.00 C ATOM 921 CD1 LEU B 11 110.386 71.695 44.691 1.00 0.00 C ATOM 922 CD2 LEU B 11 108.779 70.401 46.101 1.00 0.00 C ATOM 0 H LEU B 11 106.654 73.701 43.258 1.00 0.00 H new ATOM 0 HA LEU B 11 106.942 70.819 43.246 1.00 0.00 H new ATOM 0 HB2 LEU B 11 108.366 73.038 44.026 1.00 0.00 H new ATOM 0 HB3 LEU B 11 107.672 72.608 45.577 1.00 0.00 H new ATOM 0 HG LEU B 11 108.857 70.375 43.946 1.00 0.00 H new ATOM 0 HD11 LEU B 11 111.124 70.900 44.801 1.00 0.00 H new ATOM 0 HD12 LEU B 11 110.529 72.193 43.732 1.00 0.00 H new ATOM 0 HD13 LEU B 11 110.510 72.418 45.497 1.00 0.00 H new ATOM 0 HD21 LEU B 11 109.516 69.606 46.213 1.00 0.00 H new ATOM 0 HD22 LEU B 11 108.901 71.125 46.906 1.00 0.00 H new ATOM 0 HD23 LEU B 11 107.777 69.975 46.145 1.00 0.00 H new ATOM 934 N THR B 12 104.968 72.073 45.536 1.00 0.00 N ATOM 935 CA THR B 12 103.951 71.657 46.542 1.00 0.00 C ATOM 936 C THR B 12 102.930 70.715 45.901 1.00 0.00 C ATOM 937 O THR B 12 102.728 69.605 46.349 1.00 0.00 O ATOM 938 CB THR B 12 103.278 72.956 46.989 1.00 0.00 C ATOM 939 OG1 THR B 12 104.268 73.866 47.446 1.00 0.00 O ATOM 940 CG2 THR B 12 102.291 72.662 48.120 1.00 0.00 C ATOM 0 H THR B 12 105.049 73.079 45.391 1.00 0.00 H new ATOM 0 HA THR B 12 104.395 71.121 47.381 1.00 0.00 H new ATOM 0 HB THR B 12 102.740 73.394 46.148 1.00 0.00 H new ATOM 0 HG1 THR B 12 103.839 74.700 47.731 1.00 0.00 H new ATOM 0 HG21 THR B 12 101.813 73.589 48.436 1.00 0.00 H new ATOM 0 HG22 THR B 12 101.531 71.964 47.768 1.00 0.00 H new ATOM 0 HG23 THR B 12 102.824 72.223 48.963 1.00 0.00 H new ATOM 948 N GLU B 13 102.287 71.151 44.853 1.00 0.00 N ATOM 949 CA GLU B 13 101.277 70.283 44.177 1.00 0.00 C ATOM 950 C GLU B 13 101.868 68.898 43.891 1.00 0.00 C ATOM 951 O GLU B 13 101.282 67.884 44.216 1.00 0.00 O ATOM 952 CB GLU B 13 100.949 71.005 42.868 1.00 0.00 C ATOM 953 CG GLU B 13 99.613 70.492 42.324 1.00 0.00 C ATOM 954 CD GLU B 13 98.498 71.465 42.708 1.00 0.00 C ATOM 955 OE1 GLU B 13 98.095 71.448 43.860 1.00 0.00 O ATOM 956 OE2 GLU B 13 98.066 72.211 41.846 1.00 0.00 O ATOM 0 H GLU B 13 102.416 72.072 44.434 1.00 0.00 H new ATOM 0 HA GLU B 13 100.391 70.127 44.793 1.00 0.00 H new ATOM 0 HB2 GLU B 13 100.896 72.081 43.037 1.00 0.00 H new ATOM 0 HB3 GLU B 13 101.741 70.835 42.138 1.00 0.00 H new ATOM 0 HG2 GLU B 13 99.664 70.391 41.240 1.00 0.00 H new ATOM 0 HG3 GLU B 13 99.401 69.502 42.727 1.00 0.00 H new ATOM 963 N LEU B 14 103.023 68.849 43.286 1.00 0.00 N ATOM 964 CA LEU B 14 103.648 67.529 42.981 1.00 0.00 C ATOM 965 C LEU B 14 103.765 66.689 44.256 1.00 0.00 C ATOM 966 O LEU B 14 103.288 65.572 44.321 1.00 0.00 O ATOM 967 CB LEU B 14 105.036 67.867 42.435 1.00 0.00 C ATOM 968 CG LEU B 14 105.424 66.853 41.359 1.00 0.00 C ATOM 969 CD1 LEU B 14 104.428 66.931 40.201 1.00 0.00 C ATOM 970 CD2 LEU B 14 106.830 67.171 40.844 1.00 0.00 C ATOM 0 H LEU B 14 103.561 69.664 42.990 1.00 0.00 H new ATOM 0 HA LEU B 14 103.059 66.948 42.272 1.00 0.00 H new ATOM 0 HB2 LEU B 14 105.039 68.874 42.018 1.00 0.00 H new ATOM 0 HB3 LEU B 14 105.768 67.854 43.242 1.00 0.00 H new ATOM 0 HG LEU B 14 105.409 65.849 41.783 1.00 0.00 H new ATOM 0 HD11 LEU B 14 104.705 66.208 39.434 1.00 0.00 H new ATOM 0 HD12 LEU B 14 103.426 66.706 40.567 1.00 0.00 H new ATOM 0 HD13 LEU B 14 104.442 67.935 39.776 1.00 0.00 H new ATOM 0 HD21 LEU B 14 107.108 66.449 40.077 1.00 0.00 H new ATOM 0 HD22 LEU B 14 106.844 68.175 40.420 1.00 0.00 H new ATOM 0 HD23 LEU B 14 107.541 67.116 41.669 1.00 0.00 H new ATOM 982 N LEU B 15 104.397 67.215 45.268 1.00 0.00 N ATOM 983 CA LEU B 15 104.546 66.446 46.535 1.00 0.00 C ATOM 984 C LEU B 15 103.170 66.137 47.133 1.00 0.00 C ATOM 985 O LEU B 15 102.860 65.003 47.438 1.00 0.00 O ATOM 986 CB LEU B 15 105.349 67.358 47.462 1.00 0.00 C ATOM 987 CG LEU B 15 106.814 66.912 47.470 1.00 0.00 C ATOM 988 CD1 LEU B 15 107.379 66.978 46.048 1.00 0.00 C ATOM 989 CD2 LEU B 15 107.622 67.838 48.381 1.00 0.00 C ATOM 0 H LEU B 15 104.817 68.145 45.272 1.00 0.00 H new ATOM 0 HA LEU B 15 105.043 65.488 46.381 1.00 0.00 H new ATOM 0 HB2 LEU B 15 105.274 68.392 47.127 1.00 0.00 H new ATOM 0 HB3 LEU B 15 104.940 67.320 48.472 1.00 0.00 H new ATOM 0 HG LEU B 15 106.879 65.888 47.838 1.00 0.00 H new ATOM 0 HD11 LEU B 15 108.422 66.660 46.056 1.00 0.00 H new ATOM 0 HD12 LEU B 15 106.804 66.320 45.397 1.00 0.00 H new ATOM 0 HD13 LEU B 15 107.314 68.001 45.678 1.00 0.00 H new ATOM 0 HD21 LEU B 15 108.665 67.522 48.388 1.00 0.00 H new ATOM 0 HD22 LEU B 15 107.555 68.861 48.011 1.00 0.00 H new ATOM 0 HD23 LEU B 15 107.222 67.792 49.394 1.00 0.00 H new ATOM 1001 N GLN B 16 102.337 67.132 47.295 1.00 0.00 N ATOM 1002 CA GLN B 16 100.980 66.875 47.865 1.00 0.00 C ATOM 1003 C GLN B 16 100.291 65.763 47.072 1.00 0.00 C ATOM 1004 O GLN B 16 99.503 65.004 47.600 1.00 0.00 O ATOM 1005 CB GLN B 16 100.223 68.196 47.712 1.00 0.00 C ATOM 1006 CG GLN B 16 99.701 68.649 49.076 1.00 0.00 C ATOM 1007 CD GLN B 16 99.383 70.146 49.031 1.00 0.00 C ATOM 1008 OE1 GLN B 16 100.208 70.965 49.383 1.00 0.00 O ATOM 1009 NE2 GLN B 16 98.213 70.540 48.609 1.00 0.00 N ATOM 0 H GLN B 16 102.535 68.105 47.059 1.00 0.00 H new ATOM 0 HA GLN B 16 101.018 66.554 48.906 1.00 0.00 H new ATOM 0 HB2 GLN B 16 100.881 68.957 47.292 1.00 0.00 H new ATOM 0 HB3 GLN B 16 99.393 68.073 47.016 1.00 0.00 H new ATOM 0 HG2 GLN B 16 98.807 68.084 49.341 1.00 0.00 H new ATOM 0 HG3 GLN B 16 100.445 68.448 49.847 1.00 0.00 H new ATOM 0 HE21 GLN B 16 97.520 69.853 48.313 1.00 0.00 H new ATOM 0 HE22 GLN B 16 97.992 71.535 48.575 1.00 0.00 H new ATOM 1018 N GLY B 17 100.596 65.655 45.806 1.00 0.00 N ATOM 1019 CA GLY B 17 99.974 64.585 44.980 1.00 0.00 C ATOM 1020 C GLY B 17 100.304 63.229 45.601 1.00 0.00 C ATOM 1021 O GLY B 17 99.425 62.459 45.937 1.00 0.00 O ATOM 0 H GLY B 17 101.249 66.262 45.310 1.00 0.00 H new ATOM 0 HA2 GLY B 17 98.894 64.725 44.932 1.00 0.00 H new ATOM 0 HA3 GLY B 17 100.348 64.633 43.957 1.00 0.00 H new ATOM 1025 N TYR B 18 101.568 62.934 45.767 1.00 0.00 N ATOM 1026 CA TYR B 18 101.967 61.632 46.379 1.00 0.00 C ATOM 1027 C TYR B 18 101.158 61.373 47.652 1.00 0.00 C ATOM 1028 O TYR B 18 100.765 60.259 47.937 1.00 0.00 O ATOM 1029 CB TYR B 18 103.448 61.802 46.715 1.00 0.00 C ATOM 1030 CG TYR B 18 104.160 60.487 46.529 1.00 0.00 C ATOM 1031 CD1 TYR B 18 103.989 59.757 45.335 1.00 0.00 C ATOM 1032 CD2 TYR B 18 104.997 59.987 47.552 1.00 0.00 C ATOM 1033 CE1 TYR B 18 104.656 58.523 45.158 1.00 0.00 C ATOM 1034 CE2 TYR B 18 105.663 58.753 47.378 1.00 0.00 C ATOM 1035 CZ TYR B 18 105.493 58.021 46.181 1.00 0.00 C ATOM 1036 OH TYR B 18 106.144 56.816 46.011 1.00 0.00 O ATOM 0 H TYR B 18 102.344 63.542 45.504 1.00 0.00 H new ATOM 0 HA TYR B 18 101.787 60.788 45.713 1.00 0.00 H new ATOM 0 HB2 TYR B 18 103.893 62.562 46.073 1.00 0.00 H new ATOM 0 HB3 TYR B 18 103.561 62.147 47.743 1.00 0.00 H new ATOM 0 HD1 TYR B 18 103.348 60.141 44.555 1.00 0.00 H new ATOM 0 HD2 TYR B 18 105.127 60.548 48.466 1.00 0.00 H new ATOM 0 HE1 TYR B 18 104.526 57.965 44.243 1.00 0.00 H new ATOM 0 HE2 TYR B 18 106.302 58.369 48.160 1.00 0.00 H new ATOM 0 HH TYR B 18 105.609 56.234 45.432 1.00 0.00 H new ATOM 1046 N THR B 19 100.904 62.398 48.415 1.00 0.00 N ATOM 1047 CA THR B 19 100.117 62.223 49.669 1.00 0.00 C ATOM 1048 C THR B 19 98.691 61.780 49.330 1.00 0.00 C ATOM 1049 O THR B 19 98.074 61.026 50.056 1.00 0.00 O ATOM 1050 CB THR B 19 100.110 63.605 50.326 1.00 0.00 C ATOM 1051 OG1 THR B 19 101.330 64.275 50.035 1.00 0.00 O ATOM 1052 CG2 THR B 19 99.960 63.457 51.839 1.00 0.00 C ATOM 0 H THR B 19 101.208 63.353 48.225 1.00 0.00 H new ATOM 0 HA THR B 19 100.541 61.464 50.326 1.00 0.00 H new ATOM 0 HB THR B 19 99.273 64.184 49.936 1.00 0.00 H new ATOM 0 HG1 THR B 19 101.395 65.087 50.579 1.00 0.00 H new ATOM 0 HG21 THR B 19 99.956 64.444 52.302 1.00 0.00 H new ATOM 0 HG22 THR B 19 99.024 62.946 52.064 1.00 0.00 H new ATOM 0 HG23 THR B 19 100.794 62.875 52.232 1.00 0.00 H new ATOM 1060 N VAL B 20 98.165 62.245 48.230 1.00 0.00 N ATOM 1061 CA VAL B 20 96.779 61.853 47.842 1.00 0.00 C ATOM 1062 C VAL B 20 96.786 60.495 47.137 1.00 0.00 C ATOM 1063 O VAL B 20 95.816 59.765 47.166 1.00 0.00 O ATOM 1064 CB VAL B 20 96.311 62.951 46.887 1.00 0.00 C ATOM 1065 CG1 VAL B 20 94.886 62.650 46.422 1.00 0.00 C ATOM 1066 CG2 VAL B 20 96.338 64.299 47.609 1.00 0.00 C ATOM 0 H VAL B 20 98.634 62.879 47.583 1.00 0.00 H new ATOM 0 HA VAL B 20 96.122 61.755 48.706 1.00 0.00 H new ATOM 0 HB VAL B 20 96.974 62.988 46.023 1.00 0.00 H new ATOM 0 HG11 VAL B 20 94.552 63.433 45.741 1.00 0.00 H new ATOM 0 HG12 VAL B 20 94.866 61.689 45.908 1.00 0.00 H new ATOM 0 HG13 VAL B 20 94.222 62.613 47.285 1.00 0.00 H new ATOM 0 HG21 VAL B 20 96.004 65.083 46.929 1.00 0.00 H new ATOM 0 HG22 VAL B 20 95.675 64.262 48.473 1.00 0.00 H new ATOM 0 HG23 VAL B 20 97.354 64.514 47.940 1.00 0.00 H new ATOM 1076 N GLU B 21 97.876 60.147 46.506 1.00 0.00 N ATOM 1077 CA GLU B 21 97.938 58.825 45.804 1.00 0.00 C ATOM 1078 C GLU B 21 98.290 57.745 46.817 1.00 0.00 C ATOM 1079 O GLU B 21 97.557 56.798 47.025 1.00 0.00 O ATOM 1080 CB GLU B 21 99.061 58.913 44.750 1.00 0.00 C ATOM 1081 CG GLU B 21 99.207 60.334 44.197 1.00 0.00 C ATOM 1082 CD GLU B 21 99.429 60.276 42.684 1.00 0.00 C ATOM 1083 OE1 GLU B 21 100.530 59.942 42.279 1.00 0.00 O ATOM 1084 OE2 GLU B 21 98.493 60.567 41.957 1.00 0.00 O ATOM 0 H GLU B 21 98.722 60.714 46.444 1.00 0.00 H new ATOM 0 HA GLU B 21 96.984 58.586 45.335 1.00 0.00 H new ATOM 0 HB2 GLU B 21 100.004 58.597 45.196 1.00 0.00 H new ATOM 0 HB3 GLU B 21 98.848 58.224 43.933 1.00 0.00 H new ATOM 0 HG2 GLU B 21 98.313 60.916 44.421 1.00 0.00 H new ATOM 0 HG3 GLU B 21 100.045 60.838 44.679 1.00 0.00 H new ATOM 1091 N VAL B 22 99.419 57.889 47.445 1.00 0.00 N ATOM 1092 CA VAL B 22 99.858 56.889 48.452 1.00 0.00 C ATOM 1093 C VAL B 22 98.783 56.701 49.526 1.00 0.00 C ATOM 1094 O VAL B 22 98.623 55.630 50.075 1.00 0.00 O ATOM 1095 CB VAL B 22 101.125 57.489 49.058 1.00 0.00 C ATOM 1096 CG1 VAL B 22 101.731 56.500 50.046 1.00 0.00 C ATOM 1097 CG2 VAL B 22 102.139 57.779 47.949 1.00 0.00 C ATOM 0 H VAL B 22 100.064 58.666 47.302 1.00 0.00 H new ATOM 0 HA VAL B 22 100.033 55.906 48.014 1.00 0.00 H new ATOM 0 HB VAL B 22 100.874 58.417 49.573 1.00 0.00 H new ATOM 0 HG11 VAL B 22 102.635 56.927 50.479 1.00 0.00 H new ATOM 0 HG12 VAL B 22 101.012 56.291 50.839 1.00 0.00 H new ATOM 0 HG13 VAL B 22 101.979 55.574 49.528 1.00 0.00 H new ATOM 0 HG21 VAL B 22 103.042 58.207 48.384 1.00 0.00 H new ATOM 0 HG22 VAL B 22 102.389 56.852 47.433 1.00 0.00 H new ATOM 0 HG23 VAL B 22 101.709 58.485 47.238 1.00 0.00 H new ATOM 1107 N LEU B 23 98.046 57.734 49.835 1.00 0.00 N ATOM 1108 CA LEU B 23 96.986 57.603 50.876 1.00 0.00 C ATOM 1109 C LEU B 23 95.705 57.029 50.263 1.00 0.00 C ATOM 1110 O LEU B 23 94.875 56.469 50.950 1.00 0.00 O ATOM 1111 CB LEU B 23 96.748 59.026 51.381 1.00 0.00 C ATOM 1112 CG LEU B 23 95.929 58.980 52.671 1.00 0.00 C ATOM 1113 CD1 LEU B 23 96.824 59.344 53.857 1.00 0.00 C ATOM 1114 CD2 LEU B 23 94.774 59.980 52.577 1.00 0.00 C ATOM 0 H LEU B 23 98.131 58.659 49.414 1.00 0.00 H new ATOM 0 HA LEU B 23 97.281 56.929 51.680 1.00 0.00 H new ATOM 0 HB2 LEU B 23 97.701 59.523 51.561 1.00 0.00 H new ATOM 0 HB3 LEU B 23 96.222 59.608 50.624 1.00 0.00 H new ATOM 0 HG LEU B 23 95.530 57.976 52.813 1.00 0.00 H new ATOM 0 HD11 LEU B 23 96.240 59.311 54.777 1.00 0.00 H new ATOM 0 HD12 LEU B 23 97.647 58.632 53.924 1.00 0.00 H new ATOM 0 HD13 LEU B 23 97.224 60.348 53.716 1.00 0.00 H new ATOM 0 HD21 LEU B 23 94.189 59.948 53.496 1.00 0.00 H new ATOM 0 HD22 LEU B 23 95.173 60.984 52.435 1.00 0.00 H new ATOM 0 HD23 LEU B 23 94.136 59.721 51.732 1.00 0.00 H new ATOM 1126 N ARG B 24 95.537 57.165 48.977 1.00 0.00 N ATOM 1127 CA ARG B 24 94.307 56.629 48.325 1.00 0.00 C ATOM 1128 C ARG B 24 94.501 55.157 47.948 1.00 0.00 C ATOM 1129 O ARG B 24 93.761 54.294 48.377 1.00 0.00 O ATOM 1130 CB ARG B 24 94.119 57.484 47.071 1.00 0.00 C ATOM 1131 CG ARG B 24 92.890 57.000 46.298 1.00 0.00 C ATOM 1132 CD ARG B 24 91.681 57.864 46.664 1.00 0.00 C ATOM 1133 NE ARG B 24 90.515 57.167 46.054 1.00 0.00 N ATOM 1134 CZ ARG B 24 89.306 57.426 46.475 1.00 0.00 C ATOM 1135 NH1 ARG B 24 88.834 56.809 47.524 1.00 0.00 N ATOM 1136 NH2 ARG B 24 88.570 58.301 45.847 1.00 0.00 N ATOM 0 H ARG B 24 96.197 57.624 48.349 1.00 0.00 H new ATOM 0 HA ARG B 24 93.440 56.674 48.984 1.00 0.00 H new ATOM 0 HB2 ARG B 24 93.998 58.531 47.348 1.00 0.00 H new ATOM 0 HB3 ARG B 24 95.006 57.422 46.440 1.00 0.00 H new ATOM 0 HG2 ARG B 24 93.078 57.055 45.226 1.00 0.00 H new ATOM 0 HG3 ARG B 24 92.688 55.955 46.534 1.00 0.00 H new ATOM 0 HD2 ARG B 24 91.569 57.950 47.745 1.00 0.00 H new ATOM 0 HD3 ARG B 24 91.785 58.876 46.273 1.00 0.00 H new ATOM 0 HE ARG B 24 90.660 56.487 45.307 1.00 0.00 H new ATOM 0 HH11 ARG B 24 89.409 56.125 48.015 1.00 0.00 H new ATOM 0 HH12 ARG B 24 87.890 57.011 47.853 1.00 0.00 H new ATOM 0 HH21 ARG B 24 88.939 58.783 45.027 1.00 0.00 H new ATOM 0 HH22 ARG B 24 87.626 58.503 46.176 1.00 0.00 H new ATOM 1150 N GLN B 25 95.486 54.863 47.142 1.00 0.00 N ATOM 1151 CA GLN B 25 95.718 53.448 46.732 1.00 0.00 C ATOM 1152 C GLN B 25 96.526 52.703 47.800 1.00 0.00 C ATOM 1153 O GLN B 25 96.497 51.491 47.878 1.00 0.00 O ATOM 1154 CB GLN B 25 96.510 53.540 45.425 1.00 0.00 C ATOM 1155 CG GLN B 25 97.866 54.199 45.690 1.00 0.00 C ATOM 1156 CD GLN B 25 98.137 55.258 44.620 1.00 0.00 C ATOM 1157 OE1 GLN B 25 99.158 55.226 43.963 1.00 0.00 O ATOM 1158 NE2 GLN B 25 97.259 56.202 44.418 1.00 0.00 N ATOM 0 H GLN B 25 96.139 55.541 46.750 1.00 0.00 H new ATOM 0 HA GLN B 25 94.785 52.899 46.608 1.00 0.00 H new ATOM 0 HB2 GLN B 25 96.654 52.545 45.005 1.00 0.00 H new ATOM 0 HB3 GLN B 25 95.951 54.118 44.689 1.00 0.00 H new ATOM 0 HG2 GLN B 25 97.873 54.656 46.679 1.00 0.00 H new ATOM 0 HG3 GLN B 25 98.655 53.447 45.681 1.00 0.00 H new ATOM 0 HE21 GLN B 25 96.402 56.228 44.970 1.00 0.00 H new ATOM 0 HE22 GLN B 25 97.430 56.914 43.708 1.00 0.00 H new ATOM 1167 N GLN B 26 97.252 53.414 48.618 1.00 0.00 N ATOM 1168 CA GLN B 26 98.063 52.738 49.672 1.00 0.00 C ATOM 1169 C GLN B 26 98.967 51.675 49.036 1.00 0.00 C ATOM 1170 O GLN B 26 98.677 50.497 49.104 1.00 0.00 O ATOM 1171 CB GLN B 26 97.043 52.088 50.608 1.00 0.00 C ATOM 1172 CG GLN B 26 97.189 52.681 52.011 1.00 0.00 C ATOM 1173 CD GLN B 26 97.087 51.564 53.052 1.00 0.00 C ATOM 1174 OE1 GLN B 26 98.086 51.116 53.579 1.00 0.00 O ATOM 1175 NE2 GLN B 26 95.913 51.094 53.374 1.00 0.00 N ATOM 0 H GLN B 26 97.319 54.432 48.603 1.00 0.00 H new ATOM 0 HA GLN B 26 98.712 53.433 50.204 1.00 0.00 H new ATOM 0 HB2 GLN B 26 96.033 52.254 50.234 1.00 0.00 H new ATOM 0 HB3 GLN B 26 97.198 51.009 50.639 1.00 0.00 H new ATOM 0 HG2 GLN B 26 98.147 53.192 52.103 1.00 0.00 H new ATOM 0 HG3 GLN B 26 96.413 53.426 52.185 1.00 0.00 H new ATOM 0 HE21 GLN B 26 95.074 51.470 52.932 1.00 0.00 H new ATOM 0 HE22 GLN B 26 95.834 50.351 54.068 1.00 0.00 H new ATOM 1184 N PRO B 27 100.041 52.127 48.433 1.00 0.00 N ATOM 1185 CA PRO B 27 100.990 51.195 47.778 1.00 0.00 C ATOM 1186 C PRO B 27 101.758 50.382 48.829 1.00 0.00 C ATOM 1187 O PRO B 27 101.926 50.826 49.948 1.00 0.00 O ATOM 1188 CB PRO B 27 101.931 52.121 47.009 1.00 0.00 C ATOM 1189 CG PRO B 27 101.857 53.427 47.730 1.00 0.00 C ATOM 1190 CD PRO B 27 100.469 53.527 48.305 1.00 0.00 C ATOM 0 HA PRO B 27 100.498 50.466 47.134 1.00 0.00 H new ATOM 0 HB2 PRO B 27 102.949 51.731 47.000 1.00 0.00 H new ATOM 0 HB3 PRO B 27 101.621 52.225 45.969 1.00 0.00 H new ATOM 0 HG2 PRO B 27 102.607 53.476 48.519 1.00 0.00 H new ATOM 0 HG3 PRO B 27 102.055 54.256 47.050 1.00 0.00 H new ATOM 0 HD2 PRO B 27 100.471 54.034 49.270 1.00 0.00 H new ATOM 0 HD3 PRO B 27 99.804 54.090 47.650 1.00 0.00 H new ATOM 1198 N PRO B 28 102.199 49.213 48.434 1.00 0.00 N ATOM 1199 CA PRO B 28 102.954 48.337 49.363 1.00 0.00 C ATOM 1200 C PRO B 28 104.344 48.918 49.635 1.00 0.00 C ATOM 1201 O PRO B 28 104.924 48.702 50.680 1.00 0.00 O ATOM 1202 CB PRO B 28 103.052 47.013 48.611 1.00 0.00 C ATOM 1203 CG PRO B 28 102.922 47.379 47.168 1.00 0.00 C ATOM 1204 CD PRO B 28 102.042 48.600 47.108 1.00 0.00 C ATOM 0 HA PRO B 28 102.475 48.231 50.336 1.00 0.00 H new ATOM 0 HB2 PRO B 28 104.002 46.516 48.808 1.00 0.00 H new ATOM 0 HB3 PRO B 28 102.263 46.326 48.917 1.00 0.00 H new ATOM 0 HG2 PRO B 28 103.899 47.585 46.731 1.00 0.00 H new ATOM 0 HG3 PRO B 28 102.485 46.559 46.599 1.00 0.00 H new ATOM 0 HD2 PRO B 28 102.354 49.279 46.314 1.00 0.00 H new ATOM 0 HD3 PRO B 28 101.003 48.335 46.911 1.00 0.00 H new ATOM 1212 N ASP B 29 104.880 49.655 48.701 1.00 0.00 N ATOM 1213 CA ASP B 29 106.232 50.250 48.906 1.00 0.00 C ATOM 1214 C ASP B 29 106.324 51.607 48.202 1.00 0.00 C ATOM 1215 O ASP B 29 106.073 51.721 47.019 1.00 0.00 O ATOM 1216 CB ASP B 29 107.204 49.252 48.277 1.00 0.00 C ATOM 1217 CG ASP B 29 107.921 48.474 49.381 1.00 0.00 C ATOM 1218 OD1 ASP B 29 107.378 47.475 49.824 1.00 0.00 O ATOM 1219 OD2 ASP B 29 109.002 48.890 49.767 1.00 0.00 O ATOM 0 H ASP B 29 104.441 49.871 47.806 1.00 0.00 H new ATOM 0 HA ASP B 29 106.452 50.423 49.959 1.00 0.00 H new ATOM 0 HB2 ASP B 29 106.665 48.565 47.624 1.00 0.00 H new ATOM 0 HB3 ASP B 29 107.930 49.777 47.657 1.00 0.00 H new ATOM 1224 N LEU B 30 106.681 52.635 48.921 1.00 0.00 N ATOM 1225 CA LEU B 30 106.789 53.983 48.292 1.00 0.00 C ATOM 1226 C LEU B 30 108.078 54.077 47.472 1.00 0.00 C ATOM 1227 O LEU B 30 108.138 54.761 46.472 1.00 0.00 O ATOM 1228 CB LEU B 30 106.826 54.970 49.461 1.00 0.00 C ATOM 1229 CG LEU B 30 105.623 54.731 50.377 1.00 0.00 C ATOM 1230 CD1 LEU B 30 106.111 54.260 51.748 1.00 0.00 C ATOM 1231 CD2 LEU B 30 104.837 56.034 50.537 1.00 0.00 C ATOM 0 H LEU B 30 106.903 52.601 49.916 1.00 0.00 H new ATOM 0 HA LEU B 30 105.961 54.189 47.614 1.00 0.00 H new ATOM 0 HB2 LEU B 30 107.752 54.849 50.022 1.00 0.00 H new ATOM 0 HB3 LEU B 30 106.812 55.993 49.086 1.00 0.00 H new ATOM 0 HG LEU B 30 104.979 53.969 49.939 1.00 0.00 H new ATOM 0 HD11 LEU B 30 105.254 54.090 52.400 1.00 0.00 H new ATOM 0 HD12 LEU B 30 106.672 53.332 51.636 1.00 0.00 H new ATOM 0 HD13 LEU B 30 106.755 55.022 52.186 1.00 0.00 H new ATOM 0 HD21 LEU B 30 103.980 55.864 51.189 1.00 0.00 H new ATOM 0 HD22 LEU B 30 105.481 56.796 50.975 1.00 0.00 H new ATOM 0 HD23 LEU B 30 104.489 56.371 49.561 1.00 0.00 H new ATOM 1243 N VAL B 31 109.106 53.389 47.885 1.00 0.00 N ATOM 1244 CA VAL B 31 110.387 53.436 47.123 1.00 0.00 C ATOM 1245 C VAL B 31 110.133 53.071 45.661 1.00 0.00 C ATOM 1246 O VAL B 31 110.360 53.855 44.762 1.00 0.00 O ATOM 1247 CB VAL B 31 111.277 52.385 47.783 1.00 0.00 C ATOM 1248 CG1 VAL B 31 112.664 52.413 47.141 1.00 0.00 C ATOM 1249 CG2 VAL B 31 111.400 52.691 49.277 1.00 0.00 C ATOM 0 H VAL B 31 109.115 52.797 48.716 1.00 0.00 H new ATOM 0 HA VAL B 31 110.844 54.426 47.137 1.00 0.00 H new ATOM 0 HB VAL B 31 110.836 51.398 47.648 1.00 0.00 H new ATOM 0 HG11 VAL B 31 113.298 51.663 47.613 1.00 0.00 H new ATOM 0 HG12 VAL B 31 112.577 52.197 46.076 1.00 0.00 H new ATOM 0 HG13 VAL B 31 113.107 53.400 47.276 1.00 0.00 H new ATOM 0 HG21 VAL B 31 112.035 51.942 49.751 1.00 0.00 H new ATOM 0 HG22 VAL B 31 111.842 53.678 49.411 1.00 0.00 H new ATOM 0 HG23 VAL B 31 110.411 52.671 49.735 1.00 0.00 H new ATOM 1259 N ASP B 32 109.657 51.881 45.424 1.00 0.00 N ATOM 1260 CA ASP B 32 109.378 51.451 44.027 1.00 0.00 C ATOM 1261 C ASP B 32 108.253 52.302 43.432 1.00 0.00 C ATOM 1262 O ASP B 32 108.342 52.772 42.315 1.00 0.00 O ATOM 1263 CB ASP B 32 108.946 49.992 44.154 1.00 0.00 C ATOM 1264 CG ASP B 32 109.494 49.189 42.973 1.00 0.00 C ATOM 1265 OD1 ASP B 32 109.699 49.779 41.926 1.00 0.00 O ATOM 1266 OD2 ASP B 32 109.699 47.997 43.136 1.00 0.00 O ATOM 0 H ASP B 32 109.449 51.186 46.141 1.00 0.00 H new ATOM 0 HA ASP B 32 110.240 51.566 43.370 1.00 0.00 H new ATOM 0 HB2 ASP B 32 109.312 49.574 45.092 1.00 0.00 H new ATOM 0 HB3 ASP B 32 107.858 49.925 44.179 1.00 0.00 H new ATOM 1271 N PHE B 33 107.197 52.510 44.172 1.00 0.00 N ATOM 1272 CA PHE B 33 106.076 53.339 43.643 1.00 0.00 C ATOM 1273 C PHE B 33 106.588 54.734 43.280 1.00 0.00 C ATOM 1274 O PHE B 33 106.313 55.252 42.215 1.00 0.00 O ATOM 1275 CB PHE B 33 105.062 53.424 44.786 1.00 0.00 C ATOM 1276 CG PHE B 33 103.904 54.294 44.358 1.00 0.00 C ATOM 1277 CD1 PHE B 33 103.126 53.929 43.238 1.00 0.00 C ATOM 1278 CD2 PHE B 33 103.603 55.474 45.075 1.00 0.00 C ATOM 1279 CE1 PHE B 33 102.044 54.743 42.834 1.00 0.00 C ATOM 1280 CE2 PHE B 33 102.522 56.289 44.671 1.00 0.00 C ATOM 1281 CZ PHE B 33 101.742 55.924 43.550 1.00 0.00 C ATOM 0 H PHE B 33 107.062 52.144 45.115 1.00 0.00 H new ATOM 0 HA PHE B 33 105.635 52.911 42.743 1.00 0.00 H new ATOM 0 HB2 PHE B 33 104.707 52.427 45.048 1.00 0.00 H new ATOM 0 HB3 PHE B 33 105.534 53.838 45.677 1.00 0.00 H new ATOM 0 HD1 PHE B 33 103.358 53.028 42.690 1.00 0.00 H new ATOM 0 HD2 PHE B 33 104.199 55.753 45.931 1.00 0.00 H new ATOM 0 HE1 PHE B 33 101.448 54.463 41.978 1.00 0.00 H new ATOM 0 HE2 PHE B 33 102.292 57.191 45.219 1.00 0.00 H new ATOM 0 HZ PHE B 33 100.916 56.547 43.241 1.00 0.00 H new ATOM 1291 N ALA B 34 107.336 55.343 44.158 1.00 0.00 N ATOM 1292 CA ALA B 34 107.874 56.703 43.871 1.00 0.00 C ATOM 1293 C ALA B 34 108.595 56.713 42.520 1.00 0.00 C ATOM 1294 O ALA B 34 108.561 57.687 41.795 1.00 0.00 O ATOM 1295 CB ALA B 34 108.857 56.985 45.009 1.00 0.00 C ATOM 0 H ALA B 34 107.599 54.956 45.065 1.00 0.00 H new ATOM 0 HA ALA B 34 107.088 57.457 43.814 1.00 0.00 H new ATOM 0 HB1 ALA B 34 109.299 57.972 44.872 1.00 0.00 H new ATOM 0 HB2 ALA B 34 108.329 56.953 45.962 1.00 0.00 H new ATOM 0 HB3 ALA B 34 109.644 56.231 45.005 1.00 0.00 H new ATOM 1301 N VAL B 35 109.249 55.636 42.176 1.00 0.00 N ATOM 1302 CA VAL B 35 109.967 55.585 40.876 1.00 0.00 C ATOM 1303 C VAL B 35 108.985 55.272 39.743 1.00 0.00 C ATOM 1304 O VAL B 35 108.916 55.975 38.756 1.00 0.00 O ATOM 1305 CB VAL B 35 110.977 54.452 41.044 1.00 0.00 C ATOM 1306 CG1 VAL B 35 111.714 54.231 39.727 1.00 0.00 C ATOM 1307 CG2 VAL B 35 111.984 54.822 42.134 1.00 0.00 C ATOM 0 H VAL B 35 109.315 54.790 42.742 1.00 0.00 H new ATOM 0 HA VAL B 35 110.447 56.530 40.622 1.00 0.00 H new ATOM 0 HB VAL B 35 110.454 53.539 41.328 1.00 0.00 H new ATOM 0 HG11 VAL B 35 112.435 53.423 39.845 1.00 0.00 H new ATOM 0 HG12 VAL B 35 110.998 53.967 38.949 1.00 0.00 H new ATOM 0 HG13 VAL B 35 112.236 55.145 39.445 1.00 0.00 H new ATOM 0 HG21 VAL B 35 112.705 54.013 42.253 1.00 0.00 H new ATOM 0 HG22 VAL B 35 112.507 55.735 41.851 1.00 0.00 H new ATOM 0 HG23 VAL B 35 111.459 54.982 43.076 1.00 0.00 H new ATOM 1317 N GLU B 36 108.223 54.221 39.882 1.00 0.00 N ATOM 1318 CA GLU B 36 107.246 53.861 38.814 1.00 0.00 C ATOM 1319 C GLU B 36 106.342 55.053 38.488 1.00 0.00 C ATOM 1320 O GLU B 36 106.027 55.310 37.343 1.00 0.00 O ATOM 1321 CB GLU B 36 106.426 52.711 39.402 1.00 0.00 C ATOM 1322 CG GLU B 36 107.346 51.524 39.690 1.00 0.00 C ATOM 1323 CD GLU B 36 106.736 50.250 39.100 1.00 0.00 C ATOM 1324 OE1 GLU B 36 105.564 50.012 39.341 1.00 0.00 O ATOM 1325 OE2 GLU B 36 107.451 49.536 38.418 1.00 0.00 O ATOM 0 H GLU B 36 108.235 53.596 40.688 1.00 0.00 H new ATOM 0 HA GLU B 36 107.740 53.580 37.884 1.00 0.00 H new ATOM 0 HB2 GLU B 36 105.933 53.034 40.319 1.00 0.00 H new ATOM 0 HB3 GLU B 36 105.642 52.416 38.705 1.00 0.00 H new ATOM 0 HG2 GLU B 36 108.331 51.701 39.259 1.00 0.00 H new ATOM 0 HG3 GLU B 36 107.484 51.410 40.765 1.00 0.00 H new ATOM 1332 N TYR B 37 105.917 55.783 39.484 1.00 0.00 N ATOM 1333 CA TYR B 37 105.030 56.954 39.224 1.00 0.00 C ATOM 1334 C TYR B 37 105.816 58.073 38.535 1.00 0.00 C ATOM 1335 O TYR B 37 105.587 58.388 37.383 1.00 0.00 O ATOM 1336 CB TYR B 37 104.550 57.404 40.607 1.00 0.00 C ATOM 1337 CG TYR B 37 103.744 58.676 40.476 1.00 0.00 C ATOM 1338 CD1 TYR B 37 102.452 58.638 39.905 1.00 0.00 C ATOM 1339 CD2 TYR B 37 104.284 59.903 40.921 1.00 0.00 C ATOM 1340 CE1 TYR B 37 101.700 59.827 39.780 1.00 0.00 C ATOM 1341 CE2 TYR B 37 103.533 61.093 40.796 1.00 0.00 C ATOM 1342 CZ TYR B 37 102.241 61.055 40.225 1.00 0.00 C ATOM 1343 OH TYR B 37 101.506 62.217 40.102 1.00 0.00 O ATOM 0 H TYR B 37 106.145 55.620 40.465 1.00 0.00 H new ATOM 0 HA TYR B 37 104.198 56.703 38.567 1.00 0.00 H new ATOM 0 HB2 TYR B 37 103.943 56.623 41.064 1.00 0.00 H new ATOM 0 HB3 TYR B 37 105.404 57.569 41.263 1.00 0.00 H new ATOM 0 HD1 TYR B 37 102.040 57.700 39.564 1.00 0.00 H new ATOM 0 HD2 TYR B 37 105.272 59.931 41.357 1.00 0.00 H new ATOM 0 HE1 TYR B 37 100.712 59.798 39.345 1.00 0.00 H new ATOM 0 HE2 TYR B 37 103.946 62.031 41.137 1.00 0.00 H new ATOM 0 HH TYR B 37 102.023 62.970 40.457 1.00 0.00 H new ATOM 1353 N PHE B 38 106.736 58.683 39.232 1.00 0.00 N ATOM 1354 CA PHE B 38 107.531 59.788 38.620 1.00 0.00 C ATOM 1355 C PHE B 38 108.106 59.350 37.269 1.00 0.00 C ATOM 1356 O PHE B 38 108.093 60.096 36.309 1.00 0.00 O ATOM 1357 CB PHE B 38 108.652 60.070 39.621 1.00 0.00 C ATOM 1358 CG PHE B 38 108.192 61.120 40.603 1.00 0.00 C ATOM 1359 CD1 PHE B 38 107.724 62.368 40.135 1.00 0.00 C ATOM 1360 CD2 PHE B 38 108.228 60.855 41.991 1.00 0.00 C ATOM 1361 CE1 PHE B 38 107.292 63.350 41.053 1.00 0.00 C ATOM 1362 CE2 PHE B 38 107.796 61.837 42.910 1.00 0.00 C ATOM 1363 CZ PHE B 38 107.328 63.085 42.441 1.00 0.00 C ATOM 0 H PHE B 38 106.972 58.464 40.200 1.00 0.00 H new ATOM 0 HA PHE B 38 106.925 60.674 38.428 1.00 0.00 H new ATOM 0 HB2 PHE B 38 108.922 59.155 40.149 1.00 0.00 H new ATOM 0 HB3 PHE B 38 109.545 60.412 39.098 1.00 0.00 H new ATOM 0 HD1 PHE B 38 107.697 62.571 39.075 1.00 0.00 H new ATOM 0 HD2 PHE B 38 108.586 59.901 42.349 1.00 0.00 H new ATOM 0 HE1 PHE B 38 106.934 64.304 40.695 1.00 0.00 H new ATOM 0 HE2 PHE B 38 107.823 61.634 43.970 1.00 0.00 H new ATOM 0 HZ PHE B 38 106.998 63.836 43.143 1.00 0.00 H new ATOM 1373 N THR B 39 108.607 58.148 37.183 1.00 0.00 N ATOM 1374 CA THR B 39 109.174 57.674 35.888 1.00 0.00 C ATOM 1375 C THR B 39 108.101 57.731 34.797 1.00 0.00 C ATOM 1376 O THR B 39 108.381 58.030 33.653 1.00 0.00 O ATOM 1377 CB THR B 39 109.608 56.229 36.147 1.00 0.00 C ATOM 1378 OG1 THR B 39 110.666 56.217 37.094 1.00 0.00 O ATOM 1379 CG2 THR B 39 110.085 55.593 34.840 1.00 0.00 C ATOM 0 H THR B 39 108.648 57.476 37.949 1.00 0.00 H new ATOM 0 HA THR B 39 110.007 58.289 35.548 1.00 0.00 H new ATOM 0 HB THR B 39 108.763 55.661 36.537 1.00 0.00 H new ATOM 0 HG1 THR B 39 110.312 56.427 37.983 1.00 0.00 H new ATOM 0 HG21 THR B 39 110.393 54.564 35.027 1.00 0.00 H new ATOM 0 HG22 THR B 39 109.273 55.602 34.113 1.00 0.00 H new ATOM 0 HG23 THR B 39 110.929 56.159 34.447 1.00 0.00 H new ATOM 1387 N ARG B 40 106.875 57.449 35.143 1.00 0.00 N ATOM 1388 CA ARG B 40 105.785 57.492 34.126 1.00 0.00 C ATOM 1389 C ARG B 40 105.574 58.931 33.647 1.00 0.00 C ATOM 1390 O ARG B 40 105.399 59.184 32.472 1.00 0.00 O ATOM 1391 CB ARG B 40 104.542 56.978 34.853 1.00 0.00 C ATOM 1392 CG ARG B 40 103.379 56.870 33.864 1.00 0.00 C ATOM 1393 CD ARG B 40 102.990 55.400 33.692 1.00 0.00 C ATOM 1394 NE ARG B 40 103.566 55.001 32.377 1.00 0.00 N ATOM 1395 CZ ARG B 40 102.981 54.081 31.659 1.00 0.00 C ATOM 1396 NH1 ARG B 40 101.695 54.142 31.443 1.00 0.00 N ATOM 1397 NH2 ARG B 40 103.681 53.102 31.158 1.00 0.00 N ATOM 0 H ARG B 40 106.580 57.191 36.085 1.00 0.00 H new ATOM 0 HA ARG B 40 106.014 56.892 33.245 1.00 0.00 H new ATOM 0 HB2 ARG B 40 104.745 56.004 35.299 1.00 0.00 H new ATOM 0 HB3 ARG B 40 104.279 57.653 35.667 1.00 0.00 H new ATOM 0 HG2 ARG B 40 102.525 57.443 34.226 1.00 0.00 H new ATOM 0 HG3 ARG B 40 103.665 57.297 32.902 1.00 0.00 H new ATOM 0 HD2 ARG B 40 103.391 54.788 34.500 1.00 0.00 H new ATOM 0 HD3 ARG B 40 101.907 55.274 33.703 1.00 0.00 H new ATOM 0 HE ARG B 40 104.418 55.447 32.038 1.00 0.00 H new ATOM 0 HH11 ARG B 40 101.148 54.908 31.835 1.00 0.00 H new ATOM 0 HH12 ARG B 40 101.237 53.423 30.882 1.00 0.00 H new ATOM 0 HH21 ARG B 40 104.686 53.055 31.327 1.00 0.00 H new ATOM 0 HH22 ARG B 40 103.224 52.383 30.597 1.00 0.00 H new ATOM 1411 N LEU B 41 105.591 59.875 34.549 1.00 0.00 N ATOM 1412 CA LEU B 41 105.395 61.296 34.143 1.00 0.00 C ATOM 1413 C LEU B 41 106.481 61.709 33.145 1.00 0.00 C ATOM 1414 O LEU B 41 106.240 62.473 32.231 1.00 0.00 O ATOM 1415 CB LEU B 41 105.519 62.100 35.438 1.00 0.00 C ATOM 1416 CG LEU B 41 104.179 62.092 36.176 1.00 0.00 C ATOM 1417 CD1 LEU B 41 104.347 62.747 37.547 1.00 0.00 C ATOM 1418 CD2 LEU B 41 103.145 62.872 35.361 1.00 0.00 C ATOM 0 H LEU B 41 105.732 59.724 35.548 1.00 0.00 H new ATOM 0 HA LEU B 41 104.434 61.461 33.656 1.00 0.00 H new ATOM 0 HB2 LEU B 41 106.297 61.672 36.071 1.00 0.00 H new ATOM 0 HB3 LEU B 41 105.817 63.124 35.215 1.00 0.00 H new ATOM 0 HG LEU B 41 103.841 61.064 36.305 1.00 0.00 H new ATOM 0 HD11 LEU B 41 103.392 62.741 38.073 1.00 0.00 H new ATOM 0 HD12 LEU B 41 105.084 62.192 38.127 1.00 0.00 H new ATOM 0 HD13 LEU B 41 104.685 63.775 37.420 1.00 0.00 H new ATOM 0 HD21 LEU B 41 102.190 62.867 35.886 1.00 0.00 H new ATOM 0 HD22 LEU B 41 103.483 63.900 35.233 1.00 0.00 H new ATOM 0 HD23 LEU B 41 103.025 62.405 34.384 1.00 0.00 H new ATOM 1430 N ARG B 42 107.673 61.206 33.312 1.00 0.00 N ATOM 1431 CA ARG B 42 108.773 61.565 32.373 1.00 0.00 C ATOM 1432 C ARG B 42 108.366 61.236 30.934 1.00 0.00 C ATOM 1433 O ARG B 42 108.667 61.965 30.011 1.00 0.00 O ATOM 1434 CB ARG B 42 109.962 60.703 32.804 1.00 0.00 C ATOM 1435 CG ARG B 42 111.081 61.600 33.337 1.00 0.00 C ATOM 1436 CD ARG B 42 111.611 62.483 32.204 1.00 0.00 C ATOM 1437 NE ARG B 42 112.286 61.543 31.267 1.00 0.00 N ATOM 1438 CZ ARG B 42 113.577 61.367 31.337 1.00 0.00 C ATOM 1439 NH1 ARG B 42 114.068 60.443 32.116 1.00 0.00 N ATOM 1440 NH2 ARG B 42 114.377 62.116 30.627 1.00 0.00 N ATOM 0 H ARG B 42 107.933 60.561 34.059 1.00 0.00 H new ATOM 0 HA ARG B 42 109.010 62.629 32.402 1.00 0.00 H new ATOM 0 HB2 ARG B 42 109.651 59.996 33.573 1.00 0.00 H new ATOM 0 HB3 ARG B 42 110.324 60.116 31.959 1.00 0.00 H new ATOM 0 HG2 ARG B 42 110.707 62.220 34.152 1.00 0.00 H new ATOM 0 HG3 ARG B 42 111.887 60.990 33.745 1.00 0.00 H new ATOM 0 HD2 ARG B 42 110.801 63.019 31.710 1.00 0.00 H new ATOM 0 HD3 ARG B 42 112.307 63.233 32.580 1.00 0.00 H new ATOM 0 HE ARG B 42 111.739 61.037 30.570 1.00 0.00 H new ATOM 0 HH11 ARG B 42 113.443 59.858 32.670 1.00 0.00 H new ATOM 0 HH12 ARG B 42 115.077 60.305 32.171 1.00 0.00 H new ATOM 0 HH21 ARG B 42 113.993 62.838 30.018 1.00 0.00 H new ATOM 0 HH22 ARG B 42 115.386 61.979 30.681 1.00 0.00 H new ATOM 1454 N GLU B 43 107.683 60.141 30.739 1.00 0.00 N ATOM 1455 CA GLU B 43 107.255 59.762 29.361 1.00 0.00 C ATOM 1456 C GLU B 43 106.119 60.674 28.882 1.00 0.00 C ATOM 1457 O GLU B 43 105.806 60.723 27.709 1.00 0.00 O ATOM 1458 CB GLU B 43 106.767 58.317 29.484 1.00 0.00 C ATOM 1459 CG GLU B 43 107.884 57.362 29.055 1.00 0.00 C ATOM 1460 CD GLU B 43 108.105 56.311 30.144 1.00 0.00 C ATOM 1461 OE1 GLU B 43 108.534 56.685 31.223 1.00 0.00 O ATOM 1462 OE2 GLU B 43 107.843 55.149 29.880 1.00 0.00 O ATOM 0 H GLU B 43 107.403 59.492 31.474 1.00 0.00 H new ATOM 0 HA GLU B 43 108.064 59.862 28.637 1.00 0.00 H new ATOM 0 HB2 GLU B 43 106.471 58.108 30.512 1.00 0.00 H new ATOM 0 HB3 GLU B 43 105.885 58.165 28.861 1.00 0.00 H new ATOM 0 HG2 GLU B 43 107.621 56.877 28.115 1.00 0.00 H new ATOM 0 HG3 GLU B 43 108.805 57.918 28.880 1.00 0.00 H new ATOM 1469 N ALA B 44 105.497 61.395 29.777 1.00 0.00 N ATOM 1470 CA ALA B 44 104.384 62.297 29.364 1.00 0.00 C ATOM 1471 C ALA B 44 104.921 63.682 29.010 1.00 0.00 C ATOM 1472 O ALA B 44 104.805 64.140 27.891 1.00 0.00 O ATOM 1473 CB ALA B 44 103.477 62.399 30.588 1.00 0.00 C ATOM 0 H ALA B 44 105.712 61.398 30.774 1.00 0.00 H new ATOM 0 HA ALA B 44 103.862 61.915 28.487 1.00 0.00 H new ATOM 0 HB1 ALA B 44 102.632 63.049 30.361 1.00 0.00 H new ATOM 0 HB2 ALA B 44 103.111 61.407 30.854 1.00 0.00 H new ATOM 0 HB3 ALA B 44 104.040 62.814 31.424 1.00 0.00 H new ATOM 1479 N ARG B 45 105.491 64.358 29.969 1.00 0.00 N ATOM 1480 CA ARG B 45 106.024 65.725 29.712 1.00 0.00 C ATOM 1481 C ARG B 45 106.871 65.748 28.433 1.00 0.00 C ATOM 1482 O ARG B 45 107.670 64.867 28.192 1.00 0.00 O ATOM 1483 CB ARG B 45 106.885 66.052 30.932 1.00 0.00 C ATOM 1484 CG ARG B 45 106.064 66.869 31.932 1.00 0.00 C ATOM 1485 CD ARG B 45 106.625 68.290 32.014 1.00 0.00 C ATOM 1486 NE ARG B 45 105.884 68.931 33.136 1.00 0.00 N ATOM 1487 CZ ARG B 45 106.067 70.194 33.404 1.00 0.00 C ATOM 1488 NH1 ARG B 45 106.014 71.080 32.447 1.00 0.00 N ATOM 1489 NH2 ARG B 45 106.303 70.573 34.630 1.00 0.00 N ATOM 0 H ARG B 45 105.611 64.020 30.924 1.00 0.00 H new ATOM 0 HA ARG B 45 105.225 66.452 29.567 1.00 0.00 H new ATOM 0 HB2 ARG B 45 107.236 65.132 31.399 1.00 0.00 H new ATOM 0 HB3 ARG B 45 107.769 66.612 30.627 1.00 0.00 H new ATOM 0 HG2 ARG B 45 105.019 66.897 31.624 1.00 0.00 H new ATOM 0 HG3 ARG B 45 106.094 66.398 32.914 1.00 0.00 H new ATOM 0 HD2 ARG B 45 107.698 68.281 32.204 1.00 0.00 H new ATOM 0 HD3 ARG B 45 106.471 68.830 31.080 1.00 0.00 H new ATOM 0 HE ARG B 45 105.232 68.381 33.696 1.00 0.00 H new ATOM 0 HH11 ARG B 45 105.829 70.785 31.488 1.00 0.00 H new ATOM 0 HH12 ARG B 45 106.157 72.068 32.658 1.00 0.00 H new ATOM 0 HH21 ARG B 45 106.344 69.881 35.379 1.00 0.00 H new ATOM 0 HH22 ARG B 45 106.446 71.561 34.840 1.00 0.00 H new ATOM 1503 N ARG B 46 106.699 66.751 27.616 1.00 0.00 N ATOM 1504 CA ARG B 46 107.492 66.830 26.356 1.00 0.00 C ATOM 1505 C ARG B 46 108.943 67.210 26.664 1.00 0.00 C ATOM 1506 O ARG B 46 109.472 66.703 27.640 1.00 0.00 O ATOM 1507 CB ARG B 46 106.815 67.924 25.530 1.00 0.00 C ATOM 1508 CG ARG B 46 106.856 67.545 24.047 1.00 0.00 C ATOM 1509 CD ARG B 46 107.075 68.803 23.204 1.00 0.00 C ATOM 1510 NE ARG B 46 107.143 68.316 21.798 1.00 0.00 N ATOM 1511 CZ ARG B 46 107.174 69.170 20.811 1.00 0.00 C ATOM 1512 NH1 ARG B 46 108.278 69.811 20.538 1.00 0.00 N ATOM 1513 NH2 ARG B 46 106.102 69.385 20.100 1.00 0.00 N ATOM 1514 OXT ARG B 46 109.497 68.002 25.921 1.00 0.00 O ATOM 0 H ARG B 46 106.044 67.519 27.766 1.00 0.00 H new ATOM 0 HA ARG B 46 107.520 65.878 25.827 1.00 0.00 H new ATOM 0 HB2 ARG B 46 105.783 68.053 25.855 1.00 0.00 H new ATOM 0 HB3 ARG B 46 107.320 68.877 25.687 1.00 0.00 H new ATOM 0 HG2 ARG B 46 107.658 66.829 23.866 1.00 0.00 H new ATOM 0 HG3 ARG B 46 105.924 67.059 23.759 1.00 0.00 H new ATOM 0 HD2 ARG B 46 106.260 69.514 23.337 1.00 0.00 H new ATOM 0 HD3 ARG B 46 107.994 69.315 23.490 1.00 0.00 H new ATOM 0 HE ARG B 46 107.165 67.314 21.606 1.00 0.00 H new ATOM 0 HH11 ARG B 46 109.116 69.644 21.096 1.00 0.00 H new ATOM 0 HH12 ARG B 46 108.303 70.478 19.767 1.00 0.00 H new ATOM 0 HH21 ARG B 46 105.239 68.886 20.315 1.00 0.00 H new ATOM 0 HH22 ARG B 46 106.127 70.052 19.329 1.00 0.00 H new TER 1528 ARG B 46