USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=12 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= -0.541 X(o=-0.54,f=-0.88) USER MOD Single : A 1 HIS N :NH3+ 144:sc= 0.0409 (180deg=-0.933) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0175 X(o=-0.017,f=-0.16) 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 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot -106:sc= -5.49! USER MOD Single : A 19 THR OG1 : rot -170:sc= 0.101 USER MOD Single : A 25 GLN : amide:sc= -0.131 K(o=-0.13,f=-3.9!) USER MOD Single : A 26 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.048) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 84:sc= -1.89! USER MOD Single : B 1 HIS : no HD1:sc= -0.58 X(o=-0.58,f=-0.88) USER MOD Single : B 1 HIS N :NH3+ 144:sc= 0.0572 (180deg=-0.984) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 HIS : no HD1:sc=-0.00915 X(o=-0.0091,f=-0.12) 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 USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 18 TYR OH : rot -107:sc= -5.51! USER MOD Single : B 19 THR OG1 : rot -170:sc= 0.126 USER MOD Single : B 25 GLN : amide:sc= -0.0899 K(o=-0.09,f=-3.8!) USER MOD Single : B 26 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.017) USER MOD Single : B 37 TYR OH : rot 45:sc= 0.0006 USER MOD Single : B 39 THR OG1 : rot 93:sc= -1.8! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 89.673 47.841 62.202 1.00 0.00 N ATOM 2 CA HIS A 1 90.018 49.278 61.998 1.00 0.00 C ATOM 3 C HIS A 1 89.634 50.095 63.235 1.00 0.00 C ATOM 4 O HIS A 1 88.884 49.645 64.079 1.00 0.00 O ATOM 5 CB HIS A 1 89.193 49.715 60.786 1.00 0.00 C ATOM 6 CG HIS A 1 87.734 49.467 61.055 1.00 0.00 C ATOM 7 ND1 HIS A 1 86.936 50.391 61.711 1.00 0.00 N ATOM 8 CD2 HIS A 1 86.914 48.406 60.761 1.00 0.00 C ATOM 9 CE1 HIS A 1 85.696 49.873 61.789 1.00 0.00 C ATOM 10 NE2 HIS A 1 85.628 48.664 61.225 1.00 0.00 N ATOM 0 H1 HIS A 1 89.350 47.431 61.303 1.00 0.00 H new ATOM 0 H2 HIS A 1 90.513 47.326 62.535 1.00 0.00 H new ATOM 0 H3 HIS A 1 88.916 47.763 62.910 1.00 0.00 H new ATOM 0 HA HIS A 1 91.086 49.429 61.839 1.00 0.00 H new ATOM 0 HB2 HIS A 1 89.361 50.772 60.581 1.00 0.00 H new ATOM 0 HB3 HIS A 1 89.509 49.164 59.900 1.00 0.00 H new ATOM 0 HD2 HIS A 1 87.221 47.507 60.247 1.00 0.00 H new ATOM 0 HE1 HIS A 1 84.858 50.374 62.251 1.00 0.00 H new ATOM 0 HE2 HIS A 1 84.809 48.060 61.151 1.00 0.00 H new ATOM 20 N MET A 2 90.143 51.291 63.349 1.00 0.00 N ATOM 21 CA MET A 2 89.807 52.135 64.533 1.00 0.00 C ATOM 22 C MET A 2 89.107 53.421 64.087 1.00 0.00 C ATOM 23 O MET A 2 88.270 53.958 64.786 1.00 0.00 O ATOM 24 CB MET A 2 91.152 52.455 65.185 1.00 0.00 C ATOM 25 CG MET A 2 90.927 53.348 66.409 1.00 0.00 C ATOM 26 SD MET A 2 91.774 52.638 67.843 1.00 0.00 S ATOM 27 CE MET A 2 93.443 53.194 67.419 1.00 0.00 C ATOM 0 H MET A 2 90.776 51.721 62.675 1.00 0.00 H new ATOM 0 HA MET A 2 89.130 51.629 65.221 1.00 0.00 H new ATOM 0 HB2 MET A 2 91.653 51.533 65.481 1.00 0.00 H new ATOM 0 HB3 MET A 2 91.804 52.957 64.470 1.00 0.00 H new ATOM 0 HG2 MET A 2 91.302 54.352 66.213 1.00 0.00 H new ATOM 0 HG3 MET A 2 89.860 53.441 66.613 1.00 0.00 H new ATOM 0 HE1 MET A 2 94.143 52.860 68.184 1.00 0.00 H new ATOM 0 HE2 MET A 2 93.732 52.775 66.455 1.00 0.00 H new ATOM 0 HE3 MET A 2 93.460 54.282 67.362 1.00 0.00 H new ATOM 37 N GLY A 3 89.442 53.921 62.928 1.00 0.00 N ATOM 38 CA GLY A 3 88.794 55.172 62.441 1.00 0.00 C ATOM 39 C GLY A 3 89.164 55.405 60.975 1.00 0.00 C ATOM 40 O GLY A 3 89.684 54.532 60.310 1.00 0.00 O ATOM 0 H GLY A 3 90.136 53.518 62.298 1.00 0.00 H new ATOM 0 HA2 GLY A 3 87.712 55.097 62.546 1.00 0.00 H new ATOM 0 HA3 GLY A 3 89.115 56.019 63.047 1.00 0.00 H new ATOM 44 N HIS A 4 88.899 56.577 60.466 1.00 0.00 N ATOM 45 CA HIS A 4 89.236 56.865 59.041 1.00 0.00 C ATOM 46 C HIS A 4 90.499 57.728 58.956 1.00 0.00 C ATOM 47 O HIS A 4 90.767 58.353 57.949 1.00 0.00 O ATOM 48 CB HIS A 4 88.028 57.628 58.496 1.00 0.00 C ATOM 49 CG HIS A 4 87.415 56.854 57.361 1.00 0.00 C ATOM 50 ND1 HIS A 4 88.135 56.511 56.227 1.00 0.00 N ATOM 51 CD2 HIS A 4 86.153 56.349 57.171 1.00 0.00 C ATOM 52 CE1 HIS A 4 87.308 55.830 55.413 1.00 0.00 C ATOM 53 NE2 HIS A 4 86.087 55.703 55.940 1.00 0.00 N ATOM 0 H HIS A 4 88.464 57.347 60.974 1.00 0.00 H new ATOM 0 HA HIS A 4 89.436 55.956 58.473 1.00 0.00 H new ATOM 0 HB2 HIS A 4 87.293 57.778 59.286 1.00 0.00 H new ATOM 0 HB3 HIS A 4 88.334 58.616 58.153 1.00 0.00 H new ATOM 0 HD2 HIS A 4 85.335 56.439 57.871 1.00 0.00 H new ATOM 0 HE1 HIS A 4 87.596 55.434 54.450 1.00 0.00 H new ATOM 0 HE2 HIS A 4 85.280 55.234 55.529 1.00 0.00 H new ATOM 61 N ILE A 5 91.278 57.766 60.003 1.00 0.00 N ATOM 62 CA ILE A 5 92.522 58.587 59.976 1.00 0.00 C ATOM 63 C ILE A 5 93.693 57.784 60.549 1.00 0.00 C ATOM 64 O ILE A 5 93.850 57.665 61.748 1.00 0.00 O ATOM 65 CB ILE A 5 92.215 59.805 60.852 1.00 0.00 C ATOM 66 CG1 ILE A 5 91.137 60.655 60.176 1.00 0.00 C ATOM 67 CG2 ILE A 5 93.482 60.645 61.031 1.00 0.00 C ATOM 68 CD1 ILE A 5 89.759 60.248 60.701 1.00 0.00 C ATOM 0 H ILE A 5 91.107 57.265 60.875 1.00 0.00 H new ATOM 0 HA ILE A 5 92.805 58.880 58.965 1.00 0.00 H new ATOM 0 HB ILE A 5 91.863 59.469 61.827 1.00 0.00 H new ATOM 0 HG12 ILE A 5 91.315 61.712 60.374 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.179 60.522 59.095 1.00 0.00 H new ATOM 0 HG21 ILE A 5 93.259 61.511 61.655 1.00 0.00 H new ATOM 0 HG22 ILE A 5 94.254 60.042 61.509 1.00 0.00 H new ATOM 0 HG23 ILE A 5 93.836 60.981 60.057 1.00 0.00 H new ATOM 0 HD11 ILE A 5 88.992 60.854 60.219 1.00 0.00 H new ATOM 0 HD12 ILE A 5 89.582 59.195 60.480 1.00 0.00 H new ATOM 0 HD13 ILE A 5 89.720 60.404 61.779 1.00 0.00 H new ATOM 80 N GLN A 6 94.515 57.231 59.699 1.00 0.00 N ATOM 81 CA GLN A 6 95.675 56.435 60.192 1.00 0.00 C ATOM 82 C GLN A 6 96.817 56.482 59.173 1.00 0.00 C ATOM 83 O GLN A 6 97.362 55.466 58.790 1.00 0.00 O ATOM 84 CB GLN A 6 95.143 55.009 60.338 1.00 0.00 C ATOM 85 CG GLN A 6 96.127 54.179 61.165 1.00 0.00 C ATOM 86 CD GLN A 6 95.382 53.500 62.315 1.00 0.00 C ATOM 87 OE1 GLN A 6 95.046 52.335 62.234 1.00 0.00 O ATOM 88 NE2 GLN A 6 95.109 54.184 63.393 1.00 0.00 N ATOM 0 H GLN A 6 94.433 57.296 58.684 1.00 0.00 H new ATOM 0 HA GLN A 6 96.072 56.819 61.132 1.00 0.00 H new ATOM 0 HB2 GLN A 6 94.166 55.022 60.821 1.00 0.00 H new ATOM 0 HB3 GLN A 6 95.007 54.558 59.355 1.00 0.00 H new ATOM 0 HG2 GLN A 6 96.606 53.429 60.535 1.00 0.00 H new ATOM 0 HG3 GLN A 6 96.918 54.818 61.557 1.00 0.00 H new ATOM 0 HE21 GLN A 6 95.391 55.162 63.462 1.00 0.00 H new ATOM 0 HE22 GLN A 6 94.614 53.740 64.167 1.00 0.00 H new ATOM 97 N ILE A 7 97.182 57.654 58.732 1.00 0.00 N ATOM 98 CA ILE A 7 98.282 57.773 57.743 1.00 0.00 C ATOM 99 C ILE A 7 99.574 57.168 58.313 1.00 0.00 C ATOM 100 O ILE A 7 99.958 57.479 59.423 1.00 0.00 O ATOM 101 CB ILE A 7 98.434 59.279 57.535 1.00 0.00 C ATOM 102 CG1 ILE A 7 99.513 59.536 56.493 1.00 0.00 C ATOM 103 CG2 ILE A 7 98.835 59.939 58.853 1.00 0.00 C ATOM 104 CD1 ILE A 7 99.010 60.562 55.477 1.00 0.00 C ATOM 0 H ILE A 7 96.761 58.538 59.018 1.00 0.00 H new ATOM 0 HA ILE A 7 98.076 57.245 56.812 1.00 0.00 H new ATOM 0 HB ILE A 7 97.487 59.697 57.194 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.419 59.901 56.976 1.00 0.00 H new ATOM 0 HG13 ILE A 7 99.774 58.606 55.988 1.00 0.00 H new ATOM 0 HG21 ILE A 7 98.943 61.013 58.704 1.00 0.00 H new ATOM 0 HG22 ILE A 7 98.066 59.752 59.602 1.00 0.00 H new ATOM 0 HG23 ILE A 7 99.783 59.523 59.195 1.00 0.00 H new ATOM 0 HD11 ILE A 7 99.784 60.745 54.731 1.00 0.00 H new ATOM 0 HD12 ILE A 7 98.116 60.179 54.985 1.00 0.00 H new ATOM 0 HD13 ILE A 7 98.772 61.494 55.989 1.00 0.00 H new ATOM 116 N PRO A 8 100.209 56.320 57.538 1.00 0.00 N ATOM 117 CA PRO A 8 101.466 55.677 57.994 1.00 0.00 C ATOM 118 C PRO A 8 102.618 56.693 57.993 1.00 0.00 C ATOM 119 O PRO A 8 102.753 57.467 57.067 1.00 0.00 O ATOM 120 CB PRO A 8 101.708 54.581 56.962 1.00 0.00 C ATOM 121 CG PRO A 8 100.996 55.045 55.735 1.00 0.00 C ATOM 122 CD PRO A 8 99.829 55.883 56.189 1.00 0.00 C ATOM 0 HA PRO A 8 101.403 55.289 59.011 1.00 0.00 H new ATOM 0 HB2 PRO A 8 102.773 54.444 56.773 1.00 0.00 H new ATOM 0 HB3 PRO A 8 101.320 53.622 57.305 1.00 0.00 H new ATOM 0 HG2 PRO A 8 101.664 55.627 55.099 1.00 0.00 H new ATOM 0 HG3 PRO A 8 100.653 54.195 55.144 1.00 0.00 H new ATOM 0 HD2 PRO A 8 99.665 56.732 55.526 1.00 0.00 H new ATOM 0 HD3 PRO A 8 98.904 55.306 56.202 1.00 0.00 H new ATOM 130 N PRO A 9 103.416 56.662 59.034 1.00 0.00 N ATOM 131 CA PRO A 9 104.561 57.600 59.135 1.00 0.00 C ATOM 132 C PRO A 9 105.669 57.201 58.154 1.00 0.00 C ATOM 133 O PRO A 9 105.560 56.222 57.444 1.00 0.00 O ATOM 134 CB PRO A 9 105.031 57.442 60.578 1.00 0.00 C ATOM 135 CG PRO A 9 104.583 56.074 60.984 1.00 0.00 C ATOM 136 CD PRO A 9 103.334 55.768 60.199 1.00 0.00 C ATOM 0 HA PRO A 9 104.294 58.628 58.890 1.00 0.00 H new ATOM 0 HB2 PRO A 9 106.114 57.541 60.653 1.00 0.00 H new ATOM 0 HB3 PRO A 9 104.595 58.207 61.221 1.00 0.00 H new ATOM 0 HG2 PRO A 9 105.359 55.337 60.777 1.00 0.00 H new ATOM 0 HG3 PRO A 9 104.384 56.035 62.055 1.00 0.00 H new ATOM 0 HD2 PRO A 9 103.299 54.721 59.897 1.00 0.00 H new ATOM 0 HD3 PRO A 9 102.436 55.960 60.787 1.00 0.00 H new ATOM 144 N GLY A 10 106.735 57.953 58.111 1.00 0.00 N ATOM 145 CA GLY A 10 107.848 57.617 57.179 1.00 0.00 C ATOM 146 C GLY A 10 107.700 58.426 55.889 1.00 0.00 C ATOM 147 O GLY A 10 108.672 58.793 55.260 1.00 0.00 O ATOM 0 H GLY A 10 106.883 58.786 58.681 1.00 0.00 H new ATOM 0 HA2 GLY A 10 108.807 57.835 57.649 1.00 0.00 H new ATOM 0 HA3 GLY A 10 107.838 56.550 56.954 1.00 0.00 H new ATOM 151 N LEU A 11 106.490 58.708 55.490 1.00 0.00 N ATOM 152 CA LEU A 11 106.282 59.495 54.240 1.00 0.00 C ATOM 153 C LEU A 11 106.756 60.937 54.438 1.00 0.00 C ATOM 154 O LEU A 11 107.602 61.427 53.717 1.00 0.00 O ATOM 155 CB LEU A 11 104.774 59.456 53.992 1.00 0.00 C ATOM 156 CG LEU A 11 104.470 58.492 52.844 1.00 0.00 C ATOM 157 CD1 LEU A 11 103.988 57.157 53.413 1.00 0.00 C ATOM 158 CD2 LEU A 11 103.379 59.091 51.954 1.00 0.00 C ATOM 0 H LEU A 11 105.637 58.428 55.974 1.00 0.00 H new ATOM 0 HA LEU A 11 106.843 59.089 53.399 1.00 0.00 H new ATOM 0 HB2 LEU A 11 104.254 59.137 54.896 1.00 0.00 H new ATOM 0 HB3 LEU A 11 104.409 60.454 53.749 1.00 0.00 H new ATOM 0 HG LEU A 11 105.373 58.330 52.255 1.00 0.00 H new ATOM 0 HD11 LEU A 11 103.771 56.470 52.595 1.00 0.00 H new ATOM 0 HD12 LEU A 11 104.764 56.731 54.049 1.00 0.00 H new ATOM 0 HD13 LEU A 11 103.084 57.317 54.001 1.00 0.00 H new ATOM 0 HD21 LEU A 11 103.161 58.406 51.135 1.00 0.00 H new ATOM 0 HD22 LEU A 11 102.476 59.252 52.543 1.00 0.00 H new ATOM 0 HD23 LEU A 11 103.722 60.043 51.549 1.00 0.00 H new ATOM 170 N THR A 12 106.216 61.621 55.410 1.00 0.00 N ATOM 171 CA THR A 12 106.635 63.032 55.653 1.00 0.00 C ATOM 172 C THR A 12 108.159 63.119 55.776 1.00 0.00 C ATOM 173 O THR A 12 108.760 64.129 55.465 1.00 0.00 O ATOM 174 CB THR A 12 105.968 63.422 56.973 1.00 0.00 C ATOM 175 OG1 THR A 12 104.556 63.371 56.820 1.00 0.00 O ATOM 176 CG2 THR A 12 106.389 64.840 57.361 1.00 0.00 C ATOM 0 H THR A 12 105.503 61.264 56.046 1.00 0.00 H new ATOM 0 HA THR A 12 106.344 63.694 54.838 1.00 0.00 H new ATOM 0 HB THR A 12 106.276 62.728 57.755 1.00 0.00 H new ATOM 0 HG1 THR A 12 104.126 63.619 57.665 1.00 0.00 H new ATOM 0 HG21 THR A 12 105.913 65.116 58.302 1.00 0.00 H new ATOM 0 HG22 THR A 12 107.472 64.879 57.477 1.00 0.00 H new ATOM 0 HG23 THR A 12 106.083 65.537 56.581 1.00 0.00 H new ATOM 184 N GLU A 13 108.788 62.068 56.224 1.00 0.00 N ATOM 185 CA GLU A 13 110.273 62.090 56.365 1.00 0.00 C ATOM 186 C GLU A 13 110.936 62.046 54.986 1.00 0.00 C ATOM 187 O GLU A 13 111.678 62.934 54.614 1.00 0.00 O ATOM 188 CB GLU A 13 110.614 60.830 57.163 1.00 0.00 C ATOM 189 CG GLU A 13 110.193 61.017 58.621 1.00 0.00 C ATOM 190 CD GLU A 13 111.052 60.123 59.518 1.00 0.00 C ATOM 191 OE1 GLU A 13 110.982 58.916 59.359 1.00 0.00 O ATOM 192 OE2 GLU A 13 111.766 60.662 60.348 1.00 0.00 O ATOM 0 H GLU A 13 108.339 61.194 56.499 1.00 0.00 H new ATOM 0 HA GLU A 13 110.627 62.995 56.859 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.104 59.967 56.735 1.00 0.00 H new ATOM 0 HB3 GLU A 13 111.684 60.629 57.106 1.00 0.00 H new ATOM 0 HG2 GLU A 13 110.308 62.061 58.913 1.00 0.00 H new ATOM 0 HG3 GLU A 13 109.139 60.766 58.742 1.00 0.00 H new ATOM 199 N LEU A 14 110.674 61.020 54.224 1.00 0.00 N ATOM 200 CA LEU A 14 111.290 60.920 52.870 1.00 0.00 C ATOM 201 C LEU A 14 110.975 62.175 52.052 1.00 0.00 C ATOM 202 O LEU A 14 111.810 62.680 51.326 1.00 0.00 O ATOM 203 CB LEU A 14 110.646 59.689 52.232 1.00 0.00 C ATOM 204 CG LEU A 14 111.701 58.595 52.058 1.00 0.00 C ATOM 205 CD1 LEU A 14 111.778 57.754 53.333 1.00 0.00 C ATOM 206 CD2 LEU A 14 111.317 57.699 50.879 1.00 0.00 C ATOM 0 H LEU A 14 110.060 60.247 54.480 1.00 0.00 H new ATOM 0 HA LEU A 14 112.376 60.835 52.915 1.00 0.00 H new ATOM 0 HB2 LEU A 14 109.830 59.326 52.858 1.00 0.00 H new ATOM 0 HB3 LEU A 14 110.215 59.950 51.266 1.00 0.00 H new ATOM 0 HG LEU A 14 112.671 59.053 51.865 1.00 0.00 H new ATOM 0 HD11 LEU A 14 112.530 56.974 53.210 1.00 0.00 H new ATOM 0 HD12 LEU A 14 112.051 58.392 54.174 1.00 0.00 H new ATOM 0 HD13 LEU A 14 110.808 57.296 53.526 1.00 0.00 H new ATOM 0 HD21 LEU A 14 112.069 56.919 50.755 1.00 0.00 H new ATOM 0 HD22 LEU A 14 110.347 57.241 51.071 1.00 0.00 H new ATOM 0 HD23 LEU A 14 111.262 58.298 49.970 1.00 0.00 H new ATOM 218 N LEU A 15 109.779 62.685 52.163 1.00 0.00 N ATOM 219 CA LEU A 15 109.417 63.908 51.391 1.00 0.00 C ATOM 220 C LEU A 15 110.294 65.083 51.832 1.00 0.00 C ATOM 221 O LEU A 15 110.799 65.831 51.018 1.00 0.00 O ATOM 222 CB LEU A 15 107.949 64.171 51.726 1.00 0.00 C ATOM 223 CG LEU A 15 107.102 62.981 51.272 1.00 0.00 C ATOM 224 CD1 LEU A 15 105.690 63.110 51.844 1.00 0.00 C ATOM 225 CD2 LEU A 15 107.031 62.960 49.743 1.00 0.00 C ATOM 0 H LEU A 15 109.038 62.309 52.754 1.00 0.00 H new ATOM 0 HA LEU A 15 109.568 63.783 50.319 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.832 64.327 52.798 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.610 65.082 51.233 1.00 0.00 H new ATOM 0 HG LEU A 15 107.555 62.056 51.629 1.00 0.00 H new ATOM 0 HD11 LEU A 15 105.087 62.262 51.520 1.00 0.00 H new ATOM 0 HD12 LEU A 15 105.739 63.126 52.933 1.00 0.00 H new ATOM 0 HD13 LEU A 15 105.236 64.035 51.488 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.428 62.112 49.418 1.00 0.00 H new ATOM 0 HD22 LEU A 15 106.578 63.885 49.387 1.00 0.00 H new ATOM 0 HD23 LEU A 15 108.037 62.867 49.333 1.00 0.00 H new ATOM 237 N GLN A 16 110.488 65.248 53.113 1.00 0.00 N ATOM 238 CA GLN A 16 111.343 66.372 53.595 1.00 0.00 C ATOM 239 C GLN A 16 112.712 66.306 52.914 1.00 0.00 C ATOM 240 O GLN A 16 113.291 67.315 52.562 1.00 0.00 O ATOM 241 CB GLN A 16 111.480 66.153 55.102 1.00 0.00 C ATOM 242 CG GLN A 16 111.218 67.470 55.836 1.00 0.00 C ATOM 243 CD GLN A 16 111.965 67.468 57.171 1.00 0.00 C ATOM 244 OE1 GLN A 16 111.773 66.588 57.986 1.00 0.00 O ATOM 245 NE2 GLN A 16 112.816 68.423 57.430 1.00 0.00 N ATOM 0 H GLN A 16 110.093 64.656 53.844 1.00 0.00 H new ATOM 0 HA GLN A 16 110.916 67.349 53.369 1.00 0.00 H new ATOM 0 HB2 GLN A 16 110.774 65.392 55.435 1.00 0.00 H new ATOM 0 HB3 GLN A 16 112.479 65.786 55.337 1.00 0.00 H new ATOM 0 HG2 GLN A 16 111.546 68.311 55.225 1.00 0.00 H new ATOM 0 HG3 GLN A 16 110.149 67.598 56.006 1.00 0.00 H new ATOM 0 HE21 GLN A 16 112.977 69.162 56.746 1.00 0.00 H new ATOM 0 HE22 GLN A 16 113.320 68.430 58.317 1.00 0.00 H new ATOM 254 N GLY A 17 113.228 65.122 52.717 1.00 0.00 N ATOM 255 CA GLY A 17 114.553 64.990 52.049 1.00 0.00 C ATOM 256 C GLY A 17 114.494 65.681 50.687 1.00 0.00 C ATOM 257 O GLY A 17 115.281 66.558 50.390 1.00 0.00 O ATOM 0 H GLY A 17 112.789 64.243 52.990 1.00 0.00 H new ATOM 0 HA2 GLY A 17 115.332 65.439 52.665 1.00 0.00 H new ATOM 0 HA3 GLY A 17 114.810 63.938 51.927 1.00 0.00 H new ATOM 261 N TYR A 18 113.555 65.300 49.861 1.00 0.00 N ATOM 262 CA TYR A 18 113.425 65.937 48.518 1.00 0.00 C ATOM 263 C TYR A 18 113.468 67.463 48.648 1.00 0.00 C ATOM 264 O TYR A 18 114.050 68.152 47.834 1.00 0.00 O ATOM 265 CB TYR A 18 112.054 65.488 48.013 1.00 0.00 C ATOM 266 CG TYR A 18 112.096 65.348 46.515 1.00 0.00 C ATOM 267 CD1 TYR A 18 113.116 64.584 45.912 1.00 0.00 C ATOM 268 CD2 TYR A 18 111.119 65.983 45.718 1.00 0.00 C ATOM 269 CE1 TYR A 18 113.161 64.452 44.506 1.00 0.00 C ATOM 270 CE2 TYR A 18 111.162 65.853 44.313 1.00 0.00 C ATOM 271 CZ TYR A 18 112.183 65.087 43.705 1.00 0.00 C ATOM 272 OH TYR A 18 112.229 64.961 42.330 1.00 0.00 O ATOM 0 H TYR A 18 112.870 64.571 50.060 1.00 0.00 H new ATOM 0 HA TYR A 18 114.232 65.653 47.842 1.00 0.00 H new ATOM 0 HB2 TYR A 18 111.779 64.538 48.471 1.00 0.00 H new ATOM 0 HB3 TYR A 18 111.293 66.213 48.301 1.00 0.00 H new ATOM 0 HD1 TYR A 18 113.862 64.100 46.524 1.00 0.00 H new ATOM 0 HD2 TYR A 18 110.339 66.568 46.183 1.00 0.00 H new ATOM 0 HE1 TYR A 18 113.942 63.867 44.043 1.00 0.00 H new ATOM 0 HE2 TYR A 18 110.415 66.339 43.703 1.00 0.00 H new ATOM 0 HH TYR A 18 112.542 65.801 41.935 1.00 0.00 H new ATOM 282 N THR A 19 112.855 67.989 49.670 1.00 0.00 N ATOM 283 CA THR A 19 112.851 69.466 49.867 1.00 0.00 C ATOM 284 C THR A 19 114.280 69.974 50.081 1.00 0.00 C ATOM 285 O THR A 19 114.642 71.046 49.638 1.00 0.00 O ATOM 286 CB THR A 19 112.009 69.694 51.126 1.00 0.00 C ATOM 287 OG1 THR A 19 111.015 68.682 51.226 1.00 0.00 O ATOM 288 CG2 THR A 19 111.333 71.063 51.052 1.00 0.00 C ATOM 0 H THR A 19 112.354 67.457 50.382 1.00 0.00 H new ATOM 0 HA THR A 19 112.449 69.997 49.004 1.00 0.00 H new ATOM 0 HB THR A 19 112.657 69.656 52.002 1.00 0.00 H new ATOM 0 HG1 THR A 19 110.382 68.914 51.937 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.735 71.222 51.949 1.00 0.00 H new ATOM 0 HG22 THR A 19 112.093 71.841 50.980 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.688 71.103 50.174 1.00 0.00 H new ATOM 296 N VAL A 20 115.093 69.212 50.762 1.00 0.00 N ATOM 297 CA VAL A 20 116.496 69.652 51.013 1.00 0.00 C ATOM 298 C VAL A 20 117.380 69.373 49.792 1.00 0.00 C ATOM 299 O VAL A 20 118.387 70.021 49.587 1.00 0.00 O ATOM 300 CB VAL A 20 116.961 68.820 52.207 1.00 0.00 C ATOM 301 CG1 VAL A 20 118.420 69.152 52.525 1.00 0.00 C ATOM 302 CG2 VAL A 20 116.088 69.142 53.422 1.00 0.00 C ATOM 0 H VAL A 20 114.846 68.304 51.155 1.00 0.00 H new ATOM 0 HA VAL A 20 116.558 70.723 51.205 1.00 0.00 H new ATOM 0 HB VAL A 20 116.875 67.760 51.967 1.00 0.00 H new ATOM 0 HG11 VAL A 20 118.751 68.558 53.377 1.00 0.00 H new ATOM 0 HG12 VAL A 20 119.042 68.923 51.660 1.00 0.00 H new ATOM 0 HG13 VAL A 20 118.508 70.212 52.765 1.00 0.00 H new ATOM 0 HG21 VAL A 20 116.418 68.549 54.275 1.00 0.00 H new ATOM 0 HG22 VAL A 20 116.174 70.202 53.661 1.00 0.00 H new ATOM 0 HG23 VAL A 20 115.048 68.905 53.196 1.00 0.00 H new ATOM 312 N GLU A 21 117.015 68.418 48.982 1.00 0.00 N ATOM 313 CA GLU A 21 117.850 68.108 47.776 1.00 0.00 C ATOM 314 C GLU A 21 117.491 69.074 46.654 1.00 0.00 C ATOM 315 O GLU A 21 118.327 69.780 46.126 1.00 0.00 O ATOM 316 CB GLU A 21 117.499 66.675 47.332 1.00 0.00 C ATOM 317 CG GLU A 21 117.155 65.783 48.529 1.00 0.00 C ATOM 318 CD GLU A 21 117.841 64.425 48.369 1.00 0.00 C ATOM 319 OE1 GLU A 21 117.935 63.959 47.246 1.00 0.00 O ATOM 320 OE2 GLU A 21 118.262 63.874 49.374 1.00 0.00 O ATOM 0 H GLU A 21 116.182 67.840 49.097 1.00 0.00 H new ATOM 0 HA GLU A 21 118.912 68.201 48.005 1.00 0.00 H new ATOM 0 HB2 GLU A 21 116.654 66.703 46.644 1.00 0.00 H new ATOM 0 HB3 GLU A 21 118.340 66.246 46.787 1.00 0.00 H new ATOM 0 HG2 GLU A 21 117.478 66.259 49.455 1.00 0.00 H new ATOM 0 HG3 GLU A 21 116.075 65.651 48.599 1.00 0.00 H new ATOM 327 N VAL A 22 116.244 69.098 46.288 1.00 0.00 N ATOM 328 CA VAL A 22 115.798 70.002 45.196 1.00 0.00 C ATOM 329 C VAL A 22 116.185 71.448 45.518 1.00 0.00 C ATOM 330 O VAL A 22 116.480 72.233 44.639 1.00 0.00 O ATOM 331 CB VAL A 22 114.277 69.847 45.150 1.00 0.00 C ATOM 332 CG1 VAL A 22 113.735 70.595 43.940 1.00 0.00 C ATOM 333 CG2 VAL A 22 113.905 68.364 45.028 1.00 0.00 C ATOM 0 H VAL A 22 115.508 68.526 46.702 1.00 0.00 H new ATOM 0 HA VAL A 22 116.260 69.757 44.240 1.00 0.00 H new ATOM 0 HB VAL A 22 113.848 70.253 46.066 1.00 0.00 H new ATOM 0 HG11 VAL A 22 112.651 70.488 43.902 1.00 0.00 H new ATOM 0 HG12 VAL A 22 113.993 71.651 44.020 1.00 0.00 H new ATOM 0 HG13 VAL A 22 114.173 70.182 43.031 1.00 0.00 H new ATOM 0 HG21 VAL A 22 112.820 68.262 44.996 1.00 0.00 H new ATOM 0 HG22 VAL A 22 114.335 67.955 44.114 1.00 0.00 H new ATOM 0 HG23 VAL A 22 114.295 67.819 45.888 1.00 0.00 H new ATOM 343 N LEU A 23 116.187 71.805 46.774 1.00 0.00 N ATOM 344 CA LEU A 23 116.558 73.200 47.150 1.00 0.00 C ATOM 345 C LEU A 23 118.069 73.402 47.010 1.00 0.00 C ATOM 346 O LEU A 23 118.532 74.467 46.654 1.00 0.00 O ATOM 347 CB LEU A 23 116.132 73.341 48.612 1.00 0.00 C ATOM 348 CG LEU A 23 116.224 74.809 49.030 1.00 0.00 C ATOM 349 CD1 LEU A 23 115.128 75.610 48.324 1.00 0.00 C ATOM 350 CD2 LEU A 23 116.041 74.919 50.545 1.00 0.00 C ATOM 0 H LEU A 23 115.948 71.193 47.554 1.00 0.00 H new ATOM 0 HA LEU A 23 116.078 73.942 46.511 1.00 0.00 H new ATOM 0 HB2 LEU A 23 115.112 72.978 48.742 1.00 0.00 H new ATOM 0 HB3 LEU A 23 116.771 72.730 49.249 1.00 0.00 H new ATOM 0 HG LEU A 23 117.200 75.206 48.752 1.00 0.00 H new ATOM 0 HD11 LEU A 23 115.193 76.657 48.622 1.00 0.00 H new ATOM 0 HD12 LEU A 23 115.258 75.531 47.245 1.00 0.00 H new ATOM 0 HD13 LEU A 23 114.151 75.214 48.602 1.00 0.00 H new ATOM 0 HD21 LEU A 23 116.106 75.965 50.844 1.00 0.00 H new ATOM 0 HD22 LEU A 23 115.065 74.522 50.823 1.00 0.00 H new ATOM 0 HD23 LEU A 23 116.821 74.348 51.048 1.00 0.00 H new ATOM 362 N ARG A 24 118.842 72.388 47.289 1.00 0.00 N ATOM 363 CA ARG A 24 120.323 72.524 47.172 1.00 0.00 C ATOM 364 C ARG A 24 120.790 72.085 45.782 1.00 0.00 C ATOM 365 O ARG A 24 121.331 72.864 45.023 1.00 0.00 O ATOM 366 CB ARG A 24 120.890 71.595 48.245 1.00 0.00 C ATOM 367 CG ARG A 24 121.441 72.427 49.405 1.00 0.00 C ATOM 368 CD ARG A 24 120.297 73.192 50.075 1.00 0.00 C ATOM 369 NE ARG A 24 120.862 73.674 51.366 1.00 0.00 N ATOM 370 CZ ARG A 24 121.722 74.656 51.376 1.00 0.00 C ATOM 371 NH1 ARG A 24 121.507 75.719 50.650 1.00 0.00 N ATOM 372 NH2 ARG A 24 122.796 74.574 52.112 1.00 0.00 N ATOM 0 H ARG A 24 118.513 71.472 47.593 1.00 0.00 H new ATOM 0 HA ARG A 24 120.654 73.554 47.305 1.00 0.00 H new ATOM 0 HB2 ARG A 24 120.112 70.921 48.605 1.00 0.00 H new ATOM 0 HB3 ARG A 24 121.680 70.974 47.822 1.00 0.00 H new ATOM 0 HG2 ARG A 24 121.932 71.778 50.130 1.00 0.00 H new ATOM 0 HG3 ARG A 24 122.194 73.125 49.040 1.00 0.00 H new ATOM 0 HD2 ARG A 24 119.962 74.024 49.455 1.00 0.00 H new ATOM 0 HD3 ARG A 24 119.433 72.548 50.238 1.00 0.00 H new ATOM 0 HE ARG A 24 120.577 73.237 52.242 1.00 0.00 H new ATOM 0 HH11 ARG A 24 120.667 75.782 50.075 1.00 0.00 H new ATOM 0 HH12 ARG A 24 122.179 76.486 50.658 1.00 0.00 H new ATOM 0 HH21 ARG A 24 122.963 73.743 52.679 1.00 0.00 H new ATOM 0 HH22 ARG A 24 123.468 75.341 52.120 1.00 0.00 H new ATOM 386 N GLN A 25 120.585 70.840 45.442 1.00 0.00 N ATOM 387 CA GLN A 25 121.019 70.350 44.101 1.00 0.00 C ATOM 388 C GLN A 25 120.472 71.261 43.000 1.00 0.00 C ATOM 389 O GLN A 25 121.166 71.608 42.065 1.00 0.00 O ATOM 390 CB GLN A 25 120.423 68.947 43.981 1.00 0.00 C ATOM 391 CG GLN A 25 121.492 67.977 43.472 1.00 0.00 C ATOM 392 CD GLN A 25 121.532 68.016 41.943 1.00 0.00 C ATOM 393 OE1 GLN A 25 120.763 68.721 41.321 1.00 0.00 O ATOM 394 NE2 GLN A 25 122.404 67.281 41.307 1.00 0.00 N ATOM 0 H GLN A 25 120.136 70.142 46.035 1.00 0.00 H new ATOM 0 HA GLN A 25 122.104 70.344 43.996 1.00 0.00 H new ATOM 0 HB2 GLN A 25 120.049 68.616 44.950 1.00 0.00 H new ATOM 0 HB3 GLN A 25 119.574 68.959 43.298 1.00 0.00 H new ATOM 0 HG2 GLN A 25 122.466 68.247 43.879 1.00 0.00 H new ATOM 0 HG3 GLN A 25 121.273 66.966 43.815 1.00 0.00 H new ATOM 0 HE21 GLN A 25 123.050 66.689 41.829 1.00 0.00 H new ATOM 0 HE22 GLN A 25 122.439 67.299 40.288 1.00 0.00 H new ATOM 403 N GLN A 26 119.233 71.652 43.107 1.00 0.00 N ATOM 404 CA GLN A 26 118.636 72.543 42.070 1.00 0.00 C ATOM 405 C GLN A 26 118.866 71.958 40.669 1.00 0.00 C ATOM 406 O GLN A 26 119.526 72.565 39.849 1.00 0.00 O ATOM 407 CB GLN A 26 119.373 73.874 42.224 1.00 0.00 C ATOM 408 CG GLN A 26 118.456 74.890 42.909 1.00 0.00 C ATOM 409 CD GLN A 26 118.485 76.208 42.135 1.00 0.00 C ATOM 410 OE1 GLN A 26 117.466 76.846 41.958 1.00 0.00 O ATOM 411 NE2 GLN A 26 119.619 76.648 41.661 1.00 0.00 N ATOM 0 H GLN A 26 118.606 71.393 43.869 1.00 0.00 H new ATOM 0 HA GLN A 26 117.559 72.656 42.192 1.00 0.00 H new ATOM 0 HB2 GLN A 26 120.280 73.733 42.811 1.00 0.00 H new ATOM 0 HB3 GLN A 26 119.680 74.247 41.247 1.00 0.00 H new ATOM 0 HG2 GLN A 26 117.437 74.504 42.953 1.00 0.00 H new ATOM 0 HG3 GLN A 26 118.780 75.053 43.937 1.00 0.00 H new ATOM 0 HE21 GLN A 26 120.475 76.114 41.809 1.00 0.00 H new ATOM 0 HE22 GLN A 26 119.649 77.526 41.143 1.00 0.00 H new ATOM 420 N PRO A 27 118.312 70.792 40.439 1.00 0.00 N ATOM 421 CA PRO A 27 118.467 70.127 39.122 1.00 0.00 C ATOM 422 C PRO A 27 117.655 70.863 38.049 1.00 0.00 C ATOM 423 O PRO A 27 116.760 71.621 38.365 1.00 0.00 O ATOM 424 CB PRO A 27 117.912 68.725 39.358 1.00 0.00 C ATOM 425 CG PRO A 27 116.968 68.875 40.507 1.00 0.00 C ATOM 426 CD PRO A 27 117.501 69.991 41.366 1.00 0.00 C ATOM 0 HA PRO A 27 119.498 70.117 38.768 1.00 0.00 H new ATOM 0 HB2 PRO A 27 117.400 68.348 38.472 1.00 0.00 H new ATOM 0 HB3 PRO A 27 118.709 68.018 39.591 1.00 0.00 H new ATOM 0 HG2 PRO A 27 115.963 69.105 40.154 1.00 0.00 H new ATOM 0 HG3 PRO A 27 116.901 67.948 41.076 1.00 0.00 H new ATOM 0 HD2 PRO A 27 116.694 70.580 41.802 1.00 0.00 H new ATOM 0 HD3 PRO A 27 118.100 69.608 42.193 1.00 0.00 H new ATOM 434 N PRO A 28 117.993 70.616 36.806 1.00 0.00 N ATOM 435 CA PRO A 28 117.278 71.270 35.682 1.00 0.00 C ATOM 436 C PRO A 28 115.864 70.698 35.543 1.00 0.00 C ATOM 437 O PRO A 28 114.935 71.394 35.184 1.00 0.00 O ATOM 438 CB PRO A 28 118.129 70.923 34.463 1.00 0.00 C ATOM 439 CG PRO A 28 118.849 69.669 34.842 1.00 0.00 C ATOM 440 CD PRO A 28 119.056 69.720 36.332 1.00 0.00 C ATOM 0 HA PRO A 28 117.158 72.345 35.818 1.00 0.00 H new ATOM 0 HB2 PRO A 28 117.510 70.771 33.579 1.00 0.00 H new ATOM 0 HB3 PRO A 28 118.829 71.725 34.228 1.00 0.00 H new ATOM 0 HG2 PRO A 28 118.268 68.790 34.562 1.00 0.00 H new ATOM 0 HG3 PRO A 28 119.804 69.599 34.321 1.00 0.00 H new ATOM 0 HD2 PRO A 28 118.974 68.730 36.781 1.00 0.00 H new ATOM 0 HD3 PRO A 28 120.044 70.104 36.585 1.00 0.00 H new ATOM 448 N ASP A 29 115.695 69.435 35.824 1.00 0.00 N ATOM 449 CA ASP A 29 114.342 68.819 35.708 1.00 0.00 C ATOM 450 C ASP A 29 113.988 68.069 36.995 1.00 0.00 C ATOM 451 O ASP A 29 114.707 67.193 37.432 1.00 0.00 O ATOM 452 CB ASP A 29 114.448 67.846 34.533 1.00 0.00 C ATOM 453 CG ASP A 29 114.409 68.626 33.218 1.00 0.00 C ATOM 454 OD1 ASP A 29 113.322 68.991 32.801 1.00 0.00 O ATOM 455 OD2 ASP A 29 115.466 68.844 32.650 1.00 0.00 O ATOM 0 H ASP A 29 116.435 68.803 36.129 1.00 0.00 H new ATOM 0 HA ASP A 29 113.563 69.565 35.551 1.00 0.00 H new ATOM 0 HB2 ASP A 29 115.374 67.276 34.602 1.00 0.00 H new ATOM 0 HB3 ASP A 29 113.628 67.128 34.567 1.00 0.00 H new ATOM 460 N LEU A 30 112.885 68.407 37.605 1.00 0.00 N ATOM 461 CA LEU A 30 112.485 67.713 38.863 1.00 0.00 C ATOM 462 C LEU A 30 111.888 66.341 38.542 1.00 0.00 C ATOM 463 O LEU A 30 112.154 65.365 39.215 1.00 0.00 O ATOM 464 CB LEU A 30 111.433 68.622 39.497 1.00 0.00 C ATOM 465 CG LEU A 30 111.007 68.045 40.847 1.00 0.00 C ATOM 466 CD1 LEU A 30 111.812 68.712 41.963 1.00 0.00 C ATOM 467 CD2 LEU A 30 109.515 68.310 41.066 1.00 0.00 C ATOM 0 H LEU A 30 112.243 69.133 37.287 1.00 0.00 H new ATOM 0 HA LEU A 30 113.331 67.542 39.529 1.00 0.00 H new ATOM 0 HB2 LEU A 30 111.837 69.626 39.630 1.00 0.00 H new ATOM 0 HB3 LEU A 30 110.569 68.710 38.838 1.00 0.00 H new ATOM 0 HG LEU A 30 111.191 66.971 40.858 1.00 0.00 H new ATOM 0 HD11 LEU A 30 111.509 68.301 42.926 1.00 0.00 H new ATOM 0 HD12 LEU A 30 112.874 68.525 41.807 1.00 0.00 H new ATOM 0 HD13 LEU A 30 111.627 69.786 41.953 1.00 0.00 H new ATOM 0 HD21 LEU A 30 109.210 67.899 42.028 1.00 0.00 H new ATOM 0 HD22 LEU A 30 109.331 69.384 41.055 1.00 0.00 H new ATOM 0 HD23 LEU A 30 108.941 67.836 40.270 1.00 0.00 H new ATOM 479 N VAL A 31 111.087 66.257 37.513 1.00 0.00 N ATOM 480 CA VAL A 31 110.478 64.944 37.144 1.00 0.00 C ATOM 481 C VAL A 31 111.563 63.871 37.053 1.00 0.00 C ATOM 482 O VAL A 31 111.596 62.934 37.826 1.00 0.00 O ATOM 483 CB VAL A 31 109.852 65.174 35.770 1.00 0.00 C ATOM 484 CG1 VAL A 31 109.124 63.907 35.321 1.00 0.00 C ATOM 485 CG2 VAL A 31 108.856 66.331 35.854 1.00 0.00 C ATOM 0 H VAL A 31 110.828 67.039 36.912 1.00 0.00 H new ATOM 0 HA VAL A 31 109.748 64.606 37.879 1.00 0.00 H new ATOM 0 HB VAL A 31 110.634 65.417 35.050 1.00 0.00 H new ATOM 0 HG11 VAL A 31 108.678 64.072 34.340 1.00 0.00 H new ATOM 0 HG12 VAL A 31 109.833 63.081 35.263 1.00 0.00 H new ATOM 0 HG13 VAL A 31 108.341 63.663 36.039 1.00 0.00 H new ATOM 0 HG21 VAL A 31 108.408 66.497 34.874 1.00 0.00 H new ATOM 0 HG22 VAL A 31 108.075 66.087 36.574 1.00 0.00 H new ATOM 0 HG23 VAL A 31 109.374 67.235 36.174 1.00 0.00 H new ATOM 495 N ASP A 32 112.453 64.009 36.113 1.00 0.00 N ATOM 496 CA ASP A 32 113.544 63.011 35.963 1.00 0.00 C ATOM 497 C ASP A 32 114.324 62.885 37.273 1.00 0.00 C ATOM 498 O ASP A 32 114.715 61.806 37.672 1.00 0.00 O ATOM 499 CB ASP A 32 114.429 63.576 34.854 1.00 0.00 C ATOM 500 CG ASP A 32 115.014 62.428 34.029 1.00 0.00 C ATOM 501 OD1 ASP A 32 114.324 61.947 33.146 1.00 0.00 O ATOM 502 OD2 ASP A 32 116.143 62.049 34.296 1.00 0.00 O ATOM 0 H ASP A 32 112.471 64.774 35.439 1.00 0.00 H new ATOM 0 HA ASP A 32 113.175 62.014 35.723 1.00 0.00 H new ATOM 0 HB2 ASP A 32 113.847 64.238 34.213 1.00 0.00 H new ATOM 0 HB3 ASP A 32 115.232 64.174 35.285 1.00 0.00 H new ATOM 507 N PHE A 33 114.548 63.978 37.950 1.00 0.00 N ATOM 508 CA PHE A 33 115.296 63.912 39.238 1.00 0.00 C ATOM 509 C PHE A 33 114.523 63.060 40.245 1.00 0.00 C ATOM 510 O PHE A 33 115.077 62.204 40.906 1.00 0.00 O ATOM 511 CB PHE A 33 115.393 65.358 39.724 1.00 0.00 C ATOM 512 CG PHE A 33 116.102 65.389 41.058 1.00 0.00 C ATOM 513 CD1 PHE A 33 117.457 64.995 41.146 1.00 0.00 C ATOM 514 CD2 PHE A 33 115.412 65.807 42.218 1.00 0.00 C ATOM 515 CE1 PHE A 33 118.120 65.020 42.393 1.00 0.00 C ATOM 516 CE2 PHE A 33 116.076 65.832 43.465 1.00 0.00 C ATOM 517 CZ PHE A 33 117.430 65.438 43.552 1.00 0.00 C ATOM 0 H PHE A 33 114.247 64.911 37.668 1.00 0.00 H new ATOM 0 HA PHE A 33 116.281 63.460 39.120 1.00 0.00 H new ATOM 0 HB2 PHE A 33 115.935 65.963 38.997 1.00 0.00 H new ATOM 0 HB3 PHE A 33 114.397 65.790 39.818 1.00 0.00 H new ATOM 0 HD1 PHE A 33 117.985 64.675 40.260 1.00 0.00 H new ATOM 0 HD2 PHE A 33 114.377 66.107 42.152 1.00 0.00 H new ATOM 0 HE1 PHE A 33 119.155 64.719 42.460 1.00 0.00 H new ATOM 0 HE2 PHE A 33 115.549 66.152 44.351 1.00 0.00 H new ATOM 0 HZ PHE A 33 117.937 65.457 44.505 1.00 0.00 H new ATOM 527 N ALA A 34 113.244 63.289 40.365 1.00 0.00 N ATOM 528 CA ALA A 34 112.430 62.494 41.326 1.00 0.00 C ATOM 529 C ALA A 34 112.606 60.997 41.056 1.00 0.00 C ATOM 530 O ALA A 34 112.577 60.186 41.960 1.00 0.00 O ATOM 531 CB ALA A 34 110.985 62.920 41.064 1.00 0.00 C ATOM 0 H ALA A 34 112.727 63.993 39.838 1.00 0.00 H new ATOM 0 HA ALA A 34 112.726 62.666 42.361 1.00 0.00 H new ATOM 0 HB1 ALA A 34 110.318 62.378 41.735 1.00 0.00 H new ATOM 0 HB2 ALA A 34 110.884 63.991 41.240 1.00 0.00 H new ATOM 0 HB3 ALA A 34 110.721 62.696 40.031 1.00 0.00 H new ATOM 537 N VAL A 35 112.789 60.627 39.818 1.00 0.00 N ATOM 538 CA VAL A 35 112.966 59.189 39.488 1.00 0.00 C ATOM 539 C VAL A 35 114.367 58.720 39.895 1.00 0.00 C ATOM 540 O VAL A 35 114.527 57.715 40.558 1.00 0.00 O ATOM 541 CB VAL A 35 112.790 59.126 37.972 1.00 0.00 C ATOM 542 CG1 VAL A 35 113.073 57.709 37.485 1.00 0.00 C ATOM 543 CG2 VAL A 35 111.354 59.512 37.610 1.00 0.00 C ATOM 0 H VAL A 35 112.823 61.262 39.021 1.00 0.00 H new ATOM 0 HA VAL A 35 112.260 58.545 40.012 1.00 0.00 H new ATOM 0 HB VAL A 35 113.484 59.819 37.496 1.00 0.00 H new ATOM 0 HG11 VAL A 35 112.947 57.664 36.403 1.00 0.00 H new ATOM 0 HG12 VAL A 35 114.095 57.433 37.743 1.00 0.00 H new ATOM 0 HG13 VAL A 35 112.379 57.016 37.960 1.00 0.00 H new ATOM 0 HG21 VAL A 35 111.227 59.468 36.528 1.00 0.00 H new ATOM 0 HG22 VAL A 35 110.660 58.819 38.086 1.00 0.00 H new ATOM 0 HG23 VAL A 35 111.151 60.525 37.958 1.00 0.00 H new ATOM 553 N GLU A 36 115.382 59.441 39.503 1.00 0.00 N ATOM 554 CA GLU A 36 116.771 59.035 39.867 1.00 0.00 C ATOM 555 C GLU A 36 116.941 59.025 41.390 1.00 0.00 C ATOM 556 O GLU A 36 117.563 58.144 41.948 1.00 0.00 O ATOM 557 CB GLU A 36 117.672 60.094 39.233 1.00 0.00 C ATOM 558 CG GLU A 36 117.518 60.050 37.712 1.00 0.00 C ATOM 559 CD GLU A 36 118.656 59.226 37.107 1.00 0.00 C ATOM 560 OE1 GLU A 36 119.043 58.246 37.723 1.00 0.00 O ATOM 561 OE2 GLU A 36 119.121 59.588 36.039 1.00 0.00 O ATOM 0 H GLU A 36 115.310 60.293 38.947 1.00 0.00 H new ATOM 0 HA GLU A 36 117.012 58.032 39.516 1.00 0.00 H new ATOM 0 HB2 GLU A 36 117.408 61.083 39.608 1.00 0.00 H new ATOM 0 HB3 GLU A 36 118.711 59.915 39.509 1.00 0.00 H new ATOM 0 HG2 GLU A 36 116.556 59.612 37.446 1.00 0.00 H new ATOM 0 HG3 GLU A 36 117.531 61.061 37.305 1.00 0.00 H new ATOM 568 N TYR A 37 116.395 60.000 42.065 1.00 0.00 N ATOM 569 CA TYR A 37 116.528 60.046 43.550 1.00 0.00 C ATOM 570 C TYR A 37 115.881 58.809 44.180 1.00 0.00 C ATOM 571 O TYR A 37 116.529 58.034 44.855 1.00 0.00 O ATOM 572 CB TYR A 37 115.787 61.314 43.976 1.00 0.00 C ATOM 573 CG TYR A 37 115.793 61.420 45.483 1.00 0.00 C ATOM 574 CD1 TYR A 37 117.016 61.372 46.189 1.00 0.00 C ATOM 575 CD2 TYR A 37 114.576 61.566 46.187 1.00 0.00 C ATOM 576 CE1 TYR A 37 117.022 61.469 47.599 1.00 0.00 C ATOM 577 CE2 TYR A 37 114.582 61.663 47.597 1.00 0.00 C ATOM 578 CZ TYR A 37 115.805 61.614 48.303 1.00 0.00 C ATOM 579 OH TYR A 37 115.812 61.708 49.680 1.00 0.00 O ATOM 0 H TYR A 37 115.863 60.766 41.653 1.00 0.00 H new ATOM 0 HA TYR A 37 117.570 60.056 43.870 1.00 0.00 H new ATOM 0 HB2 TYR A 37 116.263 62.191 43.537 1.00 0.00 H new ATOM 0 HB3 TYR A 37 114.762 61.290 43.607 1.00 0.00 H new ATOM 0 HD1 TYR A 37 117.946 61.261 45.651 1.00 0.00 H new ATOM 0 HD2 TYR A 37 113.641 61.603 45.647 1.00 0.00 H new ATOM 0 HE1 TYR A 37 117.957 61.432 48.139 1.00 0.00 H new ATOM 0 HE2 TYR A 37 113.652 61.775 48.135 1.00 0.00 H new ATOM 0 HH TYR A 37 114.893 61.805 50.006 1.00 0.00 H new ATOM 589 N PHE A 38 114.608 58.620 43.967 1.00 0.00 N ATOM 590 CA PHE A 38 113.922 57.435 44.557 1.00 0.00 C ATOM 591 C PHE A 38 114.504 56.141 43.981 1.00 0.00 C ATOM 592 O PHE A 38 114.825 55.220 44.705 1.00 0.00 O ATOM 593 CB PHE A 38 112.454 57.590 44.162 1.00 0.00 C ATOM 594 CG PHE A 38 111.761 58.490 45.157 1.00 0.00 C ATOM 595 CD1 PHE A 38 111.802 58.182 46.535 1.00 0.00 C ATOM 596 CD2 PHE A 38 111.071 59.639 44.710 1.00 0.00 C ATOM 597 CE1 PHE A 38 111.154 59.024 47.467 1.00 0.00 C ATOM 598 CE2 PHE A 38 110.422 60.480 45.641 1.00 0.00 C ATOM 599 CZ PHE A 38 110.463 60.173 47.020 1.00 0.00 C ATOM 0 H PHE A 38 114.013 59.234 43.411 1.00 0.00 H new ATOM 0 HA PHE A 38 114.048 57.381 45.638 1.00 0.00 H new ATOM 0 HB2 PHE A 38 112.378 58.011 43.159 1.00 0.00 H new ATOM 0 HB3 PHE A 38 111.968 56.615 44.136 1.00 0.00 H new ATOM 0 HD1 PHE A 38 112.329 57.303 46.876 1.00 0.00 H new ATOM 0 HD2 PHE A 38 111.040 59.874 43.656 1.00 0.00 H new ATOM 0 HE1 PHE A 38 111.187 58.789 48.521 1.00 0.00 H new ATOM 0 HE2 PHE A 38 109.894 61.358 45.299 1.00 0.00 H new ATOM 0 HZ PHE A 38 109.967 60.816 47.732 1.00 0.00 H new ATOM 609 N THR A 39 114.647 56.064 42.685 1.00 0.00 N ATOM 610 CA THR A 39 115.212 54.826 42.072 1.00 0.00 C ATOM 611 C THR A 39 116.548 54.477 42.736 1.00 0.00 C ATOM 612 O THR A 39 116.923 53.325 42.831 1.00 0.00 O ATOM 613 CB THR A 39 115.413 55.169 40.594 1.00 0.00 C ATOM 614 OG1 THR A 39 114.148 55.390 39.986 1.00 0.00 O ATOM 615 CG2 THR A 39 116.122 54.012 39.888 1.00 0.00 C ATOM 0 H THR A 39 114.398 56.802 42.026 1.00 0.00 H new ATOM 0 HA THR A 39 114.559 53.963 42.199 1.00 0.00 H new ATOM 0 HB THR A 39 116.022 56.069 40.511 1.00 0.00 H new ATOM 0 HG1 THR A 39 113.867 56.316 40.142 1.00 0.00 H new ATOM 0 HG21 THR A 39 116.263 54.260 38.836 1.00 0.00 H new ATOM 0 HG22 THR A 39 117.092 53.841 40.354 1.00 0.00 H new ATOM 0 HG23 THR A 39 115.516 53.110 39.970 1.00 0.00 H new ATOM 623 N ARG A 40 117.263 55.464 43.202 1.00 0.00 N ATOM 624 CA ARG A 40 118.569 55.190 43.866 1.00 0.00 C ATOM 625 C ARG A 40 118.333 54.740 45.310 1.00 0.00 C ATOM 626 O ARG A 40 119.053 53.918 45.841 1.00 0.00 O ATOM 627 CB ARG A 40 119.319 56.521 43.834 1.00 0.00 C ATOM 628 CG ARG A 40 120.131 56.619 42.541 1.00 0.00 C ATOM 629 CD ARG A 40 121.186 57.718 42.683 1.00 0.00 C ATOM 630 NE ARG A 40 120.877 58.690 41.598 1.00 0.00 N ATOM 631 CZ ARG A 40 121.796 59.014 40.730 1.00 0.00 C ATOM 632 NH1 ARG A 40 122.127 58.176 39.786 1.00 0.00 N ATOM 633 NH2 ARG A 40 122.385 60.176 40.807 1.00 0.00 N ATOM 0 H ARG A 40 117.000 56.448 43.152 1.00 0.00 H new ATOM 0 HA ARG A 40 119.130 54.398 43.370 1.00 0.00 H new ATOM 0 HB2 ARG A 40 118.614 57.350 43.896 1.00 0.00 H new ATOM 0 HB3 ARG A 40 119.980 56.599 44.697 1.00 0.00 H new ATOM 0 HG2 ARG A 40 120.612 55.664 42.328 1.00 0.00 H new ATOM 0 HG3 ARG A 40 119.472 56.839 41.701 1.00 0.00 H new ATOM 0 HD2 ARG A 40 121.134 58.191 43.664 1.00 0.00 H new ATOM 0 HD3 ARG A 40 122.193 57.315 42.577 1.00 0.00 H new ATOM 0 HE ARG A 40 119.947 59.103 41.533 1.00 0.00 H new ATOM 0 HH11 ARG A 40 121.667 57.267 39.726 1.00 0.00 H new ATOM 0 HH12 ARG A 40 122.845 58.430 39.108 1.00 0.00 H new ATOM 0 HH21 ARG A 40 122.127 60.831 41.545 1.00 0.00 H new ATOM 0 HH22 ARG A 40 123.103 60.430 40.129 1.00 0.00 H new ATOM 647 N LEU A 41 117.327 55.274 45.948 1.00 0.00 N ATOM 648 CA LEU A 41 117.041 54.877 47.356 1.00 0.00 C ATOM 649 C LEU A 41 116.752 53.376 47.430 1.00 0.00 C ATOM 650 O LEU A 41 116.902 52.754 48.463 1.00 0.00 O ATOM 651 CB LEU A 41 115.802 55.681 47.750 1.00 0.00 C ATOM 652 CG LEU A 41 116.218 56.870 48.617 1.00 0.00 C ATOM 653 CD1 LEU A 41 115.373 58.090 48.251 1.00 0.00 C ATOM 654 CD2 LEU A 41 116.001 56.524 50.093 1.00 0.00 C ATOM 0 H LEU A 41 116.691 55.968 45.555 1.00 0.00 H new ATOM 0 HA LEU A 41 117.882 55.073 48.021 1.00 0.00 H new ATOM 0 HB2 LEU A 41 115.285 56.032 46.857 1.00 0.00 H new ATOM 0 HB3 LEU A 41 115.103 55.047 48.295 1.00 0.00 H new ATOM 0 HG LEU A 41 117.271 57.094 48.446 1.00 0.00 H new ATOM 0 HD11 LEU A 41 115.670 58.937 48.869 1.00 0.00 H new ATOM 0 HD12 LEU A 41 115.526 58.336 47.200 1.00 0.00 H new ATOM 0 HD13 LEU A 41 114.320 57.868 48.422 1.00 0.00 H new ATOM 0 HD21 LEU A 41 116.297 57.371 50.712 1.00 0.00 H new ATOM 0 HD22 LEU A 41 114.948 56.301 50.263 1.00 0.00 H new ATOM 0 HD23 LEU A 41 116.603 55.654 50.355 1.00 0.00 H new ATOM 666 N ARG A 42 116.341 52.788 46.340 1.00 0.00 N ATOM 667 CA ARG A 42 116.046 51.334 46.341 1.00 0.00 C ATOM 668 C ARG A 42 117.357 50.540 46.340 1.00 0.00 C ATOM 669 O ARG A 42 117.417 49.420 46.806 1.00 0.00 O ATOM 670 CB ARG A 42 115.260 51.113 45.046 1.00 0.00 C ATOM 671 CG ARG A 42 115.102 49.618 44.786 1.00 0.00 C ATOM 672 CD ARG A 42 113.624 49.290 44.556 1.00 0.00 C ATOM 673 NE ARG A 42 113.603 47.844 44.201 1.00 0.00 N ATOM 674 CZ ARG A 42 112.489 47.168 44.281 1.00 0.00 C ATOM 675 NH1 ARG A 42 111.719 47.302 45.326 1.00 0.00 N ATOM 676 NH2 ARG A 42 112.145 46.360 43.316 1.00 0.00 N ATOM 0 H ARG A 42 116.197 53.258 45.446 1.00 0.00 H new ATOM 0 HA ARG A 42 115.487 51.006 47.217 1.00 0.00 H new ATOM 0 HB2 ARG A 42 114.280 51.584 45.120 1.00 0.00 H new ATOM 0 HB3 ARG A 42 115.778 51.584 44.211 1.00 0.00 H new ATOM 0 HG2 ARG A 42 115.689 49.326 43.916 1.00 0.00 H new ATOM 0 HG3 ARG A 42 115.484 49.049 45.634 1.00 0.00 H new ATOM 0 HD2 ARG A 42 113.032 49.486 45.450 1.00 0.00 H new ATOM 0 HD3 ARG A 42 113.204 49.899 43.756 1.00 0.00 H new ATOM 0 HE ARG A 42 114.459 47.382 43.895 1.00 0.00 H new ATOM 0 HH11 ARG A 42 111.988 47.935 46.080 1.00 0.00 H new ATOM 0 HH12 ARG A 42 110.848 46.774 45.389 1.00 0.00 H new ATOM 0 HH21 ARG A 42 112.747 46.256 42.499 1.00 0.00 H new ATOM 0 HH22 ARG A 42 111.275 45.832 43.379 1.00 0.00 H new ATOM 690 N GLU A 43 118.408 51.117 45.823 1.00 0.00 N ATOM 691 CA GLU A 43 119.715 50.399 45.796 1.00 0.00 C ATOM 692 C GLU A 43 120.668 50.979 46.849 1.00 0.00 C ATOM 693 O GLU A 43 121.833 50.635 46.898 1.00 0.00 O ATOM 694 CB GLU A 43 120.266 50.632 44.389 1.00 0.00 C ATOM 695 CG GLU A 43 119.698 49.577 43.437 1.00 0.00 C ATOM 696 CD GLU A 43 120.840 48.934 42.648 1.00 0.00 C ATOM 697 OE1 GLU A 43 121.256 49.520 41.662 1.00 0.00 O ATOM 698 OE2 GLU A 43 121.279 47.867 43.043 1.00 0.00 O ATOM 0 H GLU A 43 118.418 52.053 45.419 1.00 0.00 H new ATOM 0 HA GLU A 43 119.605 49.338 46.022 1.00 0.00 H new ATOM 0 HB2 GLU A 43 119.999 51.631 44.043 1.00 0.00 H new ATOM 0 HB3 GLU A 43 121.355 50.579 44.400 1.00 0.00 H new ATOM 0 HG2 GLU A 43 119.158 48.816 44.001 1.00 0.00 H new ATOM 0 HG3 GLU A 43 118.983 50.035 42.754 1.00 0.00 H new ATOM 705 N ALA A 44 120.187 51.853 47.695 1.00 0.00 N ATOM 706 CA ALA A 44 121.073 52.443 48.739 1.00 0.00 C ATOM 707 C ALA A 44 120.978 51.632 50.027 1.00 0.00 C ATOM 708 O ALA A 44 121.934 51.022 50.465 1.00 0.00 O ATOM 709 CB ALA A 44 120.528 53.848 48.980 1.00 0.00 C ATOM 0 H ALA A 44 119.222 52.182 47.707 1.00 0.00 H new ATOM 0 HA ALA A 44 122.118 52.450 48.428 1.00 0.00 H new ATOM 0 HB1 ALA A 44 121.131 54.347 49.739 1.00 0.00 H new ATOM 0 HB2 ALA A 44 120.569 54.418 48.052 1.00 0.00 H new ATOM 0 HB3 ALA A 44 119.495 53.784 49.322 1.00 0.00 H new ATOM 715 N ARG A 45 119.827 51.632 50.643 1.00 0.00 N ATOM 716 CA ARG A 45 119.652 50.876 51.914 1.00 0.00 C ATOM 717 C ARG A 45 120.213 49.455 51.778 1.00 0.00 C ATOM 718 O ARG A 45 119.634 48.608 51.127 1.00 0.00 O ATOM 719 CB ARG A 45 118.141 50.834 52.143 1.00 0.00 C ATOM 720 CG ARG A 45 117.851 50.832 53.645 1.00 0.00 C ATOM 721 CD ARG A 45 117.772 49.389 54.149 1.00 0.00 C ATOM 722 NE ARG A 45 116.865 49.444 55.328 1.00 0.00 N ATOM 723 CZ ARG A 45 116.204 48.381 55.693 1.00 0.00 C ATOM 724 NH1 ARG A 45 115.036 48.127 55.170 1.00 0.00 N ATOM 725 NH2 ARG A 45 116.712 47.570 56.580 1.00 0.00 N ATOM 0 H ARG A 45 118.996 52.126 50.318 1.00 0.00 H new ATOM 0 HA ARG A 45 120.181 51.344 52.744 1.00 0.00 H new ATOM 0 HB2 ARG A 45 117.667 51.695 51.672 1.00 0.00 H new ATOM 0 HB3 ARG A 45 117.717 49.943 51.679 1.00 0.00 H new ATOM 0 HG2 ARG A 45 118.634 51.372 54.178 1.00 0.00 H new ATOM 0 HG3 ARG A 45 116.913 51.350 53.846 1.00 0.00 H new ATOM 0 HD2 ARG A 45 117.380 48.723 53.380 1.00 0.00 H new ATOM 0 HD3 ARG A 45 118.757 49.013 54.425 1.00 0.00 H new ATOM 0 HE ARG A 45 116.761 50.314 55.851 1.00 0.00 H new ATOM 0 HH11 ARG A 45 114.640 48.760 54.475 1.00 0.00 H new ATOM 0 HH12 ARG A 45 114.519 47.295 55.456 1.00 0.00 H new ATOM 0 HH21 ARG A 45 117.626 47.768 56.988 1.00 0.00 H new ATOM 0 HH22 ARG A 45 116.195 46.738 56.866 1.00 0.00 H new ATOM 739 N ARG A 46 121.339 49.192 52.383 1.00 0.00 N ATOM 740 CA ARG A 46 121.937 47.829 52.285 1.00 0.00 C ATOM 741 C ARG A 46 122.173 47.252 53.683 1.00 0.00 C ATOM 742 O ARG A 46 122.692 46.151 53.768 1.00 0.00 O ATOM 743 CB ARG A 46 123.267 48.034 51.557 1.00 0.00 C ATOM 744 CG ARG A 46 123.120 47.619 50.092 1.00 0.00 C ATOM 745 CD ARG A 46 124.348 48.080 49.304 1.00 0.00 C ATOM 746 NE ARG A 46 123.951 47.971 47.873 1.00 0.00 N ATOM 747 CZ ARG A 46 124.855 48.057 46.936 1.00 0.00 C ATOM 748 NH1 ARG A 46 125.615 49.115 46.858 1.00 0.00 N ATOM 749 NH2 ARG A 46 124.998 47.087 46.076 1.00 0.00 N ATOM 750 OXT ARG A 46 121.830 47.920 54.645 1.00 0.00 O ATOM 0 H ARG A 46 121.871 49.861 52.940 1.00 0.00 H new ATOM 0 HA ARG A 46 121.287 47.129 51.760 1.00 0.00 H new ATOM 0 HB2 ARG A 46 123.571 49.079 51.621 1.00 0.00 H new ATOM 0 HB3 ARG A 46 124.049 47.445 52.035 1.00 0.00 H new ATOM 0 HG2 ARG A 46 123.013 46.537 50.019 1.00 0.00 H new ATOM 0 HG3 ARG A 46 122.217 48.058 49.668 1.00 0.00 H new ATOM 0 HD2 ARG A 46 124.620 49.104 49.561 1.00 0.00 H new ATOM 0 HD3 ARG A 46 125.214 47.455 49.522 1.00 0.00 H new ATOM 0 HE ARG A 46 122.972 47.829 47.625 1.00 0.00 H new ATOM 0 HH11 ARG A 46 125.502 49.875 47.529 1.00 0.00 H new ATOM 0 HH12 ARG A 46 126.322 49.182 46.126 1.00 0.00 H new ATOM 0 HH21 ARG A 46 124.403 46.261 46.136 1.00 0.00 H new ATOM 0 HH22 ARG A 46 125.705 47.155 45.344 1.00 0.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 120.103 88.845 42.357 1.00 0.00 N ATOM 766 CA HIS B 1 119.303 88.159 43.413 1.00 0.00 C ATOM 767 C HIS B 1 118.563 89.190 44.270 1.00 0.00 C ATOM 768 O HIS B 1 118.870 90.365 44.246 1.00 0.00 O ATOM 769 CB HIS B 1 120.329 87.398 44.255 1.00 0.00 C ATOM 770 CG HIS B 1 121.353 88.360 44.790 1.00 0.00 C ATOM 771 ND1 HIS B 1 121.164 89.059 45.971 1.00 0.00 N ATOM 772 CD2 HIS B 1 122.582 88.750 44.317 1.00 0.00 C ATOM 773 CE1 HIS B 1 122.252 89.826 46.168 1.00 0.00 C ATOM 774 NE2 HIS B 1 123.147 89.676 45.188 1.00 0.00 N ATOM 0 H1 HIS B 1 120.992 88.327 42.203 1.00 0.00 H new ATOM 0 H2 HIS B 1 119.559 88.870 41.471 1.00 0.00 H new ATOM 0 H3 HIS B 1 120.317 89.817 42.660 1.00 0.00 H new ATOM 0 HA HIS B 1 118.547 87.495 42.993 1.00 0.00 H new ATOM 0 HB2 HIS B 1 119.831 86.886 45.078 1.00 0.00 H new ATOM 0 HB3 HIS B 1 120.815 86.632 43.650 1.00 0.00 H new ATOM 0 HD2 HIS B 1 123.040 88.392 43.407 1.00 0.00 H new ATOM 0 HE1 HIS B 1 122.385 90.483 47.015 1.00 0.00 H new ATOM 0 HE2 HIS B 1 124.051 90.141 45.098 1.00 0.00 H new ATOM 784 N MET B 2 117.589 88.759 45.025 1.00 0.00 N ATOM 785 CA MET B 2 116.831 89.717 45.881 1.00 0.00 C ATOM 786 C MET B 2 116.978 89.341 47.357 1.00 0.00 C ATOM 787 O MET B 2 116.966 90.190 48.227 1.00 0.00 O ATOM 788 CB MET B 2 115.374 89.579 45.436 1.00 0.00 C ATOM 789 CG MET B 2 114.493 90.508 46.276 1.00 0.00 C ATOM 790 SD MET B 2 113.458 91.516 45.185 1.00 0.00 S ATOM 791 CE MET B 2 112.223 90.248 44.808 1.00 0.00 C ATOM 0 H MET B 2 117.286 87.787 45.086 1.00 0.00 H new ATOM 0 HA MET B 2 117.195 90.739 45.777 1.00 0.00 H new ATOM 0 HB2 MET B 2 115.280 89.829 44.379 1.00 0.00 H new ATOM 0 HB3 MET B 2 115.044 88.546 45.550 1.00 0.00 H new ATOM 0 HG2 MET B 2 113.867 89.922 46.948 1.00 0.00 H new ATOM 0 HG3 MET B 2 115.115 91.150 46.899 1.00 0.00 H new ATOM 0 HE1 MET B 2 111.471 90.661 44.135 1.00 0.00 H new ATOM 0 HE2 MET B 2 112.709 89.397 44.331 1.00 0.00 H new ATOM 0 HE3 MET B 2 111.744 89.921 45.731 1.00 0.00 H new ATOM 801 N GLY B 3 117.115 88.076 47.648 1.00 0.00 N ATOM 802 CA GLY B 3 117.260 87.650 49.069 1.00 0.00 C ATOM 803 C GLY B 3 117.650 86.172 49.125 1.00 0.00 C ATOM 804 O GLY B 3 118.019 85.580 48.131 1.00 0.00 O ATOM 0 H GLY B 3 117.133 87.320 46.964 1.00 0.00 H new ATOM 0 HA2 GLY B 3 118.019 88.256 49.565 1.00 0.00 H new ATOM 0 HA3 GLY B 3 116.324 87.810 49.604 1.00 0.00 H new ATOM 808 N HIS B 4 117.571 85.572 50.281 1.00 0.00 N ATOM 809 CA HIS B 4 117.937 84.131 50.400 1.00 0.00 C ATOM 810 C HIS B 4 116.677 83.265 50.486 1.00 0.00 C ATOM 811 O HIS B 4 116.723 82.129 50.914 1.00 0.00 O ATOM 812 CB HIS B 4 118.744 84.034 51.695 1.00 0.00 C ATOM 813 CG HIS B 4 120.130 83.538 51.388 1.00 0.00 C ATOM 814 ND1 HIS B 4 120.358 82.324 50.759 1.00 0.00 N ATOM 815 CD2 HIS B 4 121.370 84.081 51.615 1.00 0.00 C ATOM 816 CE1 HIS B 4 121.689 82.178 50.631 1.00 0.00 C ATOM 817 NE2 HIS B 4 122.353 83.221 51.136 1.00 0.00 N ATOM 0 H HIS B 4 117.269 86.016 51.148 1.00 0.00 H new ATOM 0 HA HIS B 4 118.503 83.778 49.538 1.00 0.00 H new ATOM 0 HB2 HIS B 4 118.794 85.010 52.178 1.00 0.00 H new ATOM 0 HB3 HIS B 4 118.251 83.358 52.393 1.00 0.00 H new ATOM 0 HD2 HIS B 4 121.555 85.032 52.093 1.00 0.00 H new ATOM 0 HE1 HIS B 4 122.163 81.321 50.175 1.00 0.00 H new ATOM 0 HE2 HIS B 4 123.363 83.358 51.164 1.00 0.00 H new ATOM 825 N ILE B 5 115.553 83.789 50.080 1.00 0.00 N ATOM 826 CA ILE B 5 114.296 82.991 50.138 1.00 0.00 C ATOM 827 C ILE B 5 113.520 83.141 48.826 1.00 0.00 C ATOM 828 O ILE B 5 112.837 84.122 48.604 1.00 0.00 O ATOM 829 CB ILE B 5 113.503 83.580 51.308 1.00 0.00 C ATOM 830 CG1 ILE B 5 114.242 83.291 52.617 1.00 0.00 C ATOM 831 CG2 ILE B 5 112.112 82.943 51.362 1.00 0.00 C ATOM 832 CD1 ILE B 5 115.148 84.474 52.965 1.00 0.00 C ATOM 0 H ILE B 5 115.451 84.734 49.711 1.00 0.00 H new ATOM 0 HA ILE B 5 114.485 81.926 50.275 1.00 0.00 H new ATOM 0 HB ILE B 5 113.403 84.657 51.171 1.00 0.00 H new ATOM 0 HG12 ILE B 5 113.526 83.119 53.421 1.00 0.00 H new ATOM 0 HG13 ILE B 5 114.835 82.382 52.519 1.00 0.00 H new ATOM 0 HG21 ILE B 5 111.551 83.365 52.196 1.00 0.00 H new ATOM 0 HG22 ILE B 5 111.583 83.144 50.430 1.00 0.00 H new ATOM 0 HG23 ILE B 5 112.210 81.866 51.498 1.00 0.00 H new ATOM 0 HD11 ILE B 5 115.674 84.268 53.897 1.00 0.00 H new ATOM 0 HD12 ILE B 5 115.873 84.625 52.165 1.00 0.00 H new ATOM 0 HD13 ILE B 5 114.543 85.374 53.081 1.00 0.00 H new ATOM 844 N GLN B 6 113.621 82.175 47.955 1.00 0.00 N ATOM 845 CA GLN B 6 112.891 82.258 46.658 1.00 0.00 C ATOM 846 C GLN B 6 112.577 80.852 46.141 1.00 0.00 C ATOM 847 O GLN B 6 112.848 80.523 45.003 1.00 0.00 O ATOM 848 CB GLN B 6 113.851 82.978 45.709 1.00 0.00 C ATOM 849 CG GLN B 6 113.091 83.435 44.462 1.00 0.00 C ATOM 850 CD GLN B 6 113.340 84.927 44.230 1.00 0.00 C ATOM 851 OE1 GLN B 6 114.157 85.298 43.411 1.00 0.00 O ATOM 852 NE2 GLN B 6 112.665 85.803 44.922 1.00 0.00 N ATOM 0 H GLN B 6 114.178 81.331 48.085 1.00 0.00 H new ATOM 0 HA GLN B 6 111.940 82.783 46.750 1.00 0.00 H new ATOM 0 HB2 GLN B 6 114.298 83.837 46.210 1.00 0.00 H new ATOM 0 HB3 GLN B 6 114.667 82.313 45.427 1.00 0.00 H new ATOM 0 HG2 GLN B 6 113.417 82.862 43.594 1.00 0.00 H new ATOM 0 HG3 GLN B 6 112.024 83.248 44.585 1.00 0.00 H new ATOM 0 HE21 GLN B 6 111.979 85.491 45.609 1.00 0.00 H new ATOM 0 HE22 GLN B 6 112.823 86.800 44.776 1.00 0.00 H new ATOM 861 N ILE B 7 112.007 80.020 46.969 1.00 0.00 N ATOM 862 CA ILE B 7 111.675 78.640 46.533 1.00 0.00 C ATOM 863 C ILE B 7 110.724 78.680 45.327 1.00 0.00 C ATOM 864 O ILE B 7 109.727 79.374 45.356 1.00 0.00 O ATOM 865 CB ILE B 7 110.986 78.020 47.747 1.00 0.00 C ATOM 866 CG1 ILE B 7 110.633 76.572 47.439 1.00 0.00 C ATOM 867 CG2 ILE B 7 109.707 78.798 48.059 1.00 0.00 C ATOM 868 CD1 ILE B 7 111.056 75.680 48.608 1.00 0.00 C ATOM 0 H ILE B 7 111.757 80.241 47.933 1.00 0.00 H new ATOM 0 HA ILE B 7 112.551 78.072 46.219 1.00 0.00 H new ATOM 0 HB ILE B 7 111.655 78.060 48.607 1.00 0.00 H new ATOM 0 HG12 ILE B 7 109.561 76.478 47.266 1.00 0.00 H new ATOM 0 HG13 ILE B 7 111.133 76.252 46.525 1.00 0.00 H new ATOM 0 HG21 ILE B 7 109.215 78.356 48.925 1.00 0.00 H new ATOM 0 HG22 ILE B 7 109.956 79.837 48.274 1.00 0.00 H new ATOM 0 HG23 ILE B 7 109.037 78.756 47.200 1.00 0.00 H new ATOM 0 HD11 ILE B 7 110.802 74.644 48.385 1.00 0.00 H new ATOM 0 HD12 ILE B 7 112.132 75.765 48.760 1.00 0.00 H new ATOM 0 HD13 ILE B 7 110.536 75.995 49.513 1.00 0.00 H new ATOM 880 N PRO B 8 111.058 77.936 44.299 1.00 0.00 N ATOM 881 CA PRO B 8 110.207 77.905 43.083 1.00 0.00 C ATOM 882 C PRO B 8 108.913 77.124 43.353 1.00 0.00 C ATOM 883 O PRO B 8 108.944 76.080 43.974 1.00 0.00 O ATOM 884 CB PRO B 8 111.072 77.182 42.056 1.00 0.00 C ATOM 885 CG PRO B 8 112.013 76.350 42.862 1.00 0.00 C ATOM 886 CD PRO B 8 112.234 77.067 44.167 1.00 0.00 C ATOM 0 HA PRO B 8 109.900 78.897 42.751 1.00 0.00 H new ATOM 0 HB2 PRO B 8 110.466 76.563 41.394 1.00 0.00 H new ATOM 0 HB3 PRO B 8 111.611 77.889 41.426 1.00 0.00 H new ATOM 0 HG2 PRO B 8 111.598 75.357 43.034 1.00 0.00 H new ATOM 0 HG3 PRO B 8 112.956 76.214 42.333 1.00 0.00 H new ATOM 0 HD2 PRO B 8 112.308 76.367 44.999 1.00 0.00 H new ATOM 0 HD3 PRO B 8 113.158 77.645 44.153 1.00 0.00 H new ATOM 894 N PRO B 9 107.810 77.654 42.879 1.00 0.00 N ATOM 895 CA PRO B 9 106.502 76.982 43.084 1.00 0.00 C ATOM 896 C PRO B 9 106.397 75.735 42.200 1.00 0.00 C ATOM 897 O PRO B 9 107.293 75.422 41.442 1.00 0.00 O ATOM 898 CB PRO B 9 105.484 78.036 42.657 1.00 0.00 C ATOM 899 CG PRO B 9 106.222 78.925 41.708 1.00 0.00 C ATOM 900 CD PRO B 9 107.671 78.905 42.120 1.00 0.00 C ATOM 0 HA PRO B 9 106.352 76.643 44.109 1.00 0.00 H new ATOM 0 HB2 PRO B 9 104.619 77.578 42.177 1.00 0.00 H new ATOM 0 HB3 PRO B 9 105.113 78.596 43.515 1.00 0.00 H new ATOM 0 HG2 PRO B 9 106.108 78.573 40.683 1.00 0.00 H new ATOM 0 HG3 PRO B 9 105.825 79.940 41.743 1.00 0.00 H new ATOM 0 HD2 PRO B 9 108.332 78.921 41.254 1.00 0.00 H new ATOM 0 HD3 PRO B 9 107.924 79.772 42.730 1.00 0.00 H new ATOM 908 N GLY B 10 105.308 75.022 42.292 1.00 0.00 N ATOM 909 CA GLY B 10 105.145 73.798 41.457 1.00 0.00 C ATOM 910 C GLY B 10 105.550 72.567 42.270 1.00 0.00 C ATOM 911 O GLY B 10 105.004 71.494 42.103 1.00 0.00 O ATOM 0 H GLY B 10 104.524 75.234 42.909 1.00 0.00 H new ATOM 0 HA2 GLY B 10 104.110 73.705 41.128 1.00 0.00 H new ATOM 0 HA3 GLY B 10 105.760 73.873 40.560 1.00 0.00 H new ATOM 915 N LEU B 11 106.504 72.711 43.149 1.00 0.00 N ATOM 916 CA LEU B 11 106.943 71.547 43.971 1.00 0.00 C ATOM 917 C LEU B 11 105.838 71.144 44.951 1.00 0.00 C ATOM 918 O LEU B 11 105.377 70.020 44.954 1.00 0.00 O ATOM 919 CB LEU B 11 108.178 72.038 44.726 1.00 0.00 C ATOM 920 CG LEU B 11 109.435 71.437 44.097 1.00 0.00 C ATOM 921 CD1 LEU B 11 110.098 72.473 43.187 1.00 0.00 C ATOM 922 CD2 LEU B 11 110.413 71.031 45.202 1.00 0.00 C ATOM 0 H LEU B 11 106.998 73.584 43.334 1.00 0.00 H new ATOM 0 HA LEU B 11 107.161 70.670 43.362 1.00 0.00 H new ATOM 0 HB2 LEU B 11 108.228 73.126 44.694 1.00 0.00 H new ATOM 0 HB3 LEU B 11 108.112 71.753 45.776 1.00 0.00 H new ATOM 0 HG LEU B 11 109.163 70.560 43.510 1.00 0.00 H new ATOM 0 HD11 LEU B 11 110.994 72.043 42.739 1.00 0.00 H new ATOM 0 HD12 LEU B 11 109.403 72.764 42.400 1.00 0.00 H new ATOM 0 HD13 LEU B 11 110.370 73.351 43.773 1.00 0.00 H new ATOM 0 HD21 LEU B 11 111.310 70.602 44.755 1.00 0.00 H new ATOM 0 HD22 LEU B 11 110.684 71.909 45.788 1.00 0.00 H new ATOM 0 HD23 LEU B 11 109.943 70.292 45.851 1.00 0.00 H new ATOM 934 N THR B 12 105.410 72.053 45.785 1.00 0.00 N ATOM 935 CA THR B 12 104.336 71.720 46.765 1.00 0.00 C ATOM 936 C THR B 12 103.133 71.102 46.046 1.00 0.00 C ATOM 937 O THR B 12 102.399 70.312 46.607 1.00 0.00 O ATOM 938 CB THR B 12 103.951 73.056 47.401 1.00 0.00 C ATOM 939 OG1 THR B 12 105.072 73.590 48.092 1.00 0.00 O ATOM 940 CG2 THR B 12 102.797 72.843 48.383 1.00 0.00 C ATOM 0 H THR B 12 105.757 73.011 45.830 1.00 0.00 H new ATOM 0 HA THR B 12 104.668 70.995 47.508 1.00 0.00 H new ATOM 0 HB THR B 12 103.638 73.752 46.623 1.00 0.00 H new ATOM 0 HG1 THR B 12 104.827 74.447 48.499 1.00 0.00 H new ATOM 0 HG21 THR B 12 102.524 73.796 48.836 1.00 0.00 H new ATOM 0 HG22 THR B 12 101.938 72.434 47.851 1.00 0.00 H new ATOM 0 HG23 THR B 12 103.106 72.147 49.163 1.00 0.00 H new ATOM 948 N GLU B 13 102.928 71.455 44.807 1.00 0.00 N ATOM 949 CA GLU B 13 101.774 70.888 44.051 1.00 0.00 C ATOM 950 C GLU B 13 102.033 69.417 43.717 1.00 0.00 C ATOM 951 O GLU B 13 101.285 68.541 44.102 1.00 0.00 O ATOM 952 CB GLU B 13 101.689 71.722 42.772 1.00 0.00 C ATOM 953 CG GLU B 13 101.147 73.113 43.102 1.00 0.00 C ATOM 954 CD GLU B 13 100.469 73.704 41.864 1.00 0.00 C ATOM 955 OE1 GLU B 13 101.154 73.898 40.874 1.00 0.00 O ATOM 956 OE2 GLU B 13 99.276 73.951 41.928 1.00 0.00 O ATOM 0 H GLU B 13 103.509 72.111 44.285 1.00 0.00 H new ATOM 0 HA GLU B 13 100.847 70.925 44.623 1.00 0.00 H new ATOM 0 HB2 GLU B 13 102.674 71.804 42.313 1.00 0.00 H new ATOM 0 HB3 GLU B 13 101.040 71.230 42.048 1.00 0.00 H new ATOM 0 HG2 GLU B 13 100.435 73.052 43.925 1.00 0.00 H new ATOM 0 HG3 GLU B 13 101.958 73.763 43.430 1.00 0.00 H new ATOM 963 N LEU B 14 103.089 69.140 43.002 1.00 0.00 N ATOM 964 CA LEU B 14 103.397 67.726 42.642 1.00 0.00 C ATOM 965 C LEU B 14 103.478 66.863 43.903 1.00 0.00 C ATOM 966 O LEU B 14 103.030 65.734 43.924 1.00 0.00 O ATOM 967 CB LEU B 14 104.755 67.783 41.942 1.00 0.00 C ATOM 968 CG LEU B 14 104.583 67.418 40.467 1.00 0.00 C ATOM 969 CD1 LEU B 14 104.249 68.676 39.665 1.00 0.00 C ATOM 970 CD2 LEU B 14 105.882 66.808 39.937 1.00 0.00 C ATOM 0 H LEU B 14 103.752 69.831 42.651 1.00 0.00 H new ATOM 0 HA LEU B 14 102.629 67.285 42.007 1.00 0.00 H new ATOM 0 HB2 LEU B 14 105.182 68.782 42.033 1.00 0.00 H new ATOM 0 HB3 LEU B 14 105.452 67.094 42.420 1.00 0.00 H new ATOM 0 HG LEU B 14 103.773 66.696 40.365 1.00 0.00 H new ATOM 0 HD11 LEU B 14 104.127 68.415 38.614 1.00 0.00 H new ATOM 0 HD12 LEU B 14 103.324 69.112 40.041 1.00 0.00 H new ATOM 0 HD13 LEU B 14 105.059 69.399 39.768 1.00 0.00 H new ATOM 0 HD21 LEU B 14 105.759 66.548 38.886 1.00 0.00 H new ATOM 0 HD22 LEU B 14 106.692 67.530 40.040 1.00 0.00 H new ATOM 0 HD23 LEU B 14 106.122 65.911 40.507 1.00 0.00 H new ATOM 982 N LEU B 15 104.045 67.386 44.956 1.00 0.00 N ATOM 983 CA LEU B 15 104.150 66.592 46.213 1.00 0.00 C ATOM 984 C LEU B 15 102.752 66.273 46.749 1.00 0.00 C ATOM 985 O LEU B 15 102.472 65.162 47.152 1.00 0.00 O ATOM 986 CB LEU B 15 104.915 67.489 47.187 1.00 0.00 C ATOM 987 CG LEU B 15 106.306 67.783 46.623 1.00 0.00 C ATOM 988 CD1 LEU B 15 106.971 68.886 47.448 1.00 0.00 C ATOM 989 CD2 LEU B 15 107.161 66.514 46.688 1.00 0.00 C ATOM 0 H LEU B 15 104.439 68.326 45.000 1.00 0.00 H new ATOM 0 HA LEU B 15 104.656 65.638 46.063 1.00 0.00 H new ATOM 0 HB2 LEU B 15 104.371 68.420 47.345 1.00 0.00 H new ATOM 0 HB3 LEU B 15 105.000 67.001 48.158 1.00 0.00 H new ATOM 0 HG LEU B 15 106.215 68.110 45.587 1.00 0.00 H new ATOM 0 HD11 LEU B 15 107.962 69.094 47.045 1.00 0.00 H new ATOM 0 HD12 LEU B 15 106.364 69.790 47.403 1.00 0.00 H new ATOM 0 HD13 LEU B 15 107.062 68.561 48.484 1.00 0.00 H new ATOM 0 HD21 LEU B 15 108.153 66.722 46.286 1.00 0.00 H new ATOM 0 HD22 LEU B 15 107.250 66.188 47.724 1.00 0.00 H new ATOM 0 HD23 LEU B 15 106.689 65.727 46.100 1.00 0.00 H new ATOM 1001 N GLN B 16 101.869 67.235 46.748 1.00 0.00 N ATOM 1002 CA GLN B 16 100.488 66.975 47.249 1.00 0.00 C ATOM 1003 C GLN B 16 99.886 65.782 46.503 1.00 0.00 C ATOM 1004 O GLN B 16 99.190 64.966 47.075 1.00 0.00 O ATOM 1005 CB GLN B 16 99.705 68.252 46.943 1.00 0.00 C ATOM 1006 CG GLN B 16 98.908 68.674 48.179 1.00 0.00 C ATOM 1007 CD GLN B 16 97.676 69.469 47.745 1.00 0.00 C ATOM 1008 OE1 GLN B 16 97.793 70.469 47.064 1.00 0.00 O ATOM 1009 NE2 GLN B 16 96.490 69.065 48.112 1.00 0.00 N ATOM 0 H GLN B 16 102.043 68.186 46.423 1.00 0.00 H new ATOM 0 HA GLN B 16 100.467 66.736 48.312 1.00 0.00 H new ATOM 0 HB2 GLN B 16 100.389 69.048 46.649 1.00 0.00 H new ATOM 0 HB3 GLN B 16 99.031 68.085 46.103 1.00 0.00 H new ATOM 0 HG2 GLN B 16 98.605 67.794 48.747 1.00 0.00 H new ATOM 0 HG3 GLN B 16 99.531 69.279 48.837 1.00 0.00 H new ATOM 0 HE21 GLN B 16 96.391 68.226 48.683 1.00 0.00 H new ATOM 0 HE22 GLN B 16 95.662 69.588 47.827 1.00 0.00 H new ATOM 1018 N GLY B 17 100.158 65.668 45.230 1.00 0.00 N ATOM 1019 CA GLY B 17 99.611 64.522 44.451 1.00 0.00 C ATOM 1020 C GLY B 17 100.044 63.217 45.119 1.00 0.00 C ATOM 1021 O GLY B 17 99.230 62.387 45.469 1.00 0.00 O ATOM 0 H GLY B 17 100.735 66.319 44.697 1.00 0.00 H new ATOM 0 HA2 GLY B 17 98.523 64.581 44.408 1.00 0.00 H new ATOM 0 HA3 GLY B 17 99.973 64.558 43.424 1.00 0.00 H new ATOM 1025 N TYR B 18 101.326 63.037 45.308 1.00 0.00 N ATOM 1026 CA TYR B 18 101.825 61.795 45.965 1.00 0.00 C ATOM 1027 C TYR B 18 101.029 61.511 47.242 1.00 0.00 C ATOM 1028 O TYR B 18 100.720 60.380 47.558 1.00 0.00 O ATOM 1029 CB TYR B 18 103.282 62.103 46.308 1.00 0.00 C ATOM 1030 CG TYR B 18 104.095 60.840 46.216 1.00 0.00 C ATOM 1031 CD1 TYR B 18 104.020 60.042 45.056 1.00 0.00 C ATOM 1032 CD2 TYR B 18 104.928 60.455 47.289 1.00 0.00 C ATOM 1033 CE1 TYR B 18 104.780 58.854 44.966 1.00 0.00 C ATOM 1034 CE2 TYR B 18 105.688 59.269 47.202 1.00 0.00 C ATOM 1035 CZ TYR B 18 105.615 58.467 46.040 1.00 0.00 C ATOM 1036 OH TYR B 18 106.357 57.304 45.953 1.00 0.00 O ATOM 0 H TYR B 18 102.050 63.701 45.034 1.00 0.00 H new ATOM 0 HA TYR B 18 101.723 60.917 45.327 1.00 0.00 H new ATOM 0 HB2 TYR B 18 103.677 62.854 45.624 1.00 0.00 H new ATOM 0 HB3 TYR B 18 103.350 62.520 47.313 1.00 0.00 H new ATOM 0 HD1 TYR B 18 103.382 60.339 44.237 1.00 0.00 H new ATOM 0 HD2 TYR B 18 104.984 61.068 48.176 1.00 0.00 H new ATOM 0 HE1 TYR B 18 104.723 58.242 44.078 1.00 0.00 H new ATOM 0 HE2 TYR B 18 106.325 58.974 48.023 1.00 0.00 H new ATOM 0 HH TYR B 18 105.964 56.621 46.536 1.00 0.00 H new ATOM 1046 N THR B 19 100.699 62.537 47.976 1.00 0.00 N ATOM 1047 CA THR B 19 99.924 62.341 49.234 1.00 0.00 C ATOM 1048 C THR B 19 98.550 61.742 48.921 1.00 0.00 C ATOM 1049 O THR B 19 98.027 60.936 49.666 1.00 0.00 O ATOM 1050 CB THR B 19 99.774 63.747 49.827 1.00 0.00 C ATOM 1051 OG1 THR B 19 100.903 64.536 49.474 1.00 0.00 O ATOM 1052 CG2 THR B 19 99.675 63.656 51.349 1.00 0.00 C ATOM 0 H THR B 19 100.933 63.506 47.759 1.00 0.00 H new ATOM 0 HA THR B 19 100.419 61.657 49.923 1.00 0.00 H new ATOM 0 HB THR B 19 98.869 64.208 49.432 1.00 0.00 H new ATOM 0 HG1 THR B 19 100.886 65.376 49.978 1.00 0.00 H new ATOM 0 HG21 THR B 19 99.569 64.657 51.767 1.00 0.00 H new ATOM 0 HG22 THR B 19 98.808 63.055 51.622 1.00 0.00 H new ATOM 0 HG23 THR B 19 100.578 63.191 51.745 1.00 0.00 H new ATOM 1060 N VAL B 20 97.959 62.135 47.826 1.00 0.00 N ATOM 1061 CA VAL B 20 96.615 61.596 47.466 1.00 0.00 C ATOM 1062 C VAL B 20 96.740 60.217 46.810 1.00 0.00 C ATOM 1063 O VAL B 20 95.826 59.418 46.851 1.00 0.00 O ATOM 1064 CB VAL B 20 96.039 62.607 46.475 1.00 0.00 C ATOM 1065 CG1 VAL B 20 94.669 62.125 45.993 1.00 0.00 C ATOM 1066 CG2 VAL B 20 95.888 63.966 47.162 1.00 0.00 C ATOM 0 H VAL B 20 98.348 62.806 47.164 1.00 0.00 H new ATOM 0 HA VAL B 20 95.980 61.467 48.342 1.00 0.00 H new ATOM 0 HB VAL B 20 96.711 62.703 45.623 1.00 0.00 H new ATOM 0 HG11 VAL B 20 94.258 62.846 45.286 1.00 0.00 H new ATOM 0 HG12 VAL B 20 94.775 61.157 45.504 1.00 0.00 H new ATOM 0 HG13 VAL B 20 93.997 62.029 46.845 1.00 0.00 H new ATOM 0 HG21 VAL B 20 95.477 64.687 46.455 1.00 0.00 H new ATOM 0 HG22 VAL B 20 95.216 63.870 48.015 1.00 0.00 H new ATOM 0 HG23 VAL B 20 96.863 64.310 47.506 1.00 0.00 H new ATOM 1076 N GLU B 21 97.860 59.929 46.207 1.00 0.00 N ATOM 1077 CA GLU B 21 98.028 58.593 45.549 1.00 0.00 C ATOM 1078 C GLU B 21 98.429 57.563 46.597 1.00 0.00 C ATOM 1079 O GLU B 21 97.779 56.553 46.785 1.00 0.00 O ATOM 1080 CB GLU B 21 99.167 58.729 44.519 1.00 0.00 C ATOM 1081 CG GLU B 21 99.199 60.128 43.897 1.00 0.00 C ATOM 1082 CD GLU B 21 99.414 60.013 42.387 1.00 0.00 C ATOM 1083 OE1 GLU B 21 100.143 59.123 41.978 1.00 0.00 O ATOM 1084 OE2 GLU B 21 98.847 60.815 41.664 1.00 0.00 O ATOM 0 H GLU B 21 98.664 60.553 46.139 1.00 0.00 H new ATOM 0 HA GLU B 21 97.101 58.277 45.071 1.00 0.00 H new ATOM 0 HB2 GLU B 21 100.122 58.523 45.002 1.00 0.00 H new ATOM 0 HB3 GLU B 21 99.040 57.984 43.734 1.00 0.00 H new ATOM 0 HG2 GLU B 21 98.265 60.650 44.103 1.00 0.00 H new ATOM 0 HG3 GLU B 21 99.999 60.718 44.345 1.00 0.00 H new ATOM 1091 N VAL B 22 99.508 57.818 47.277 1.00 0.00 N ATOM 1092 CA VAL B 22 99.985 56.869 48.317 1.00 0.00 C ATOM 1093 C VAL B 22 98.878 56.612 49.342 1.00 0.00 C ATOM 1094 O VAL B 22 98.765 55.535 49.892 1.00 0.00 O ATOM 1095 CB VAL B 22 101.178 57.567 48.974 1.00 0.00 C ATOM 1096 CG1 VAL B 22 101.856 56.598 49.933 1.00 0.00 C ATOM 1097 CG2 VAL B 22 102.186 58.001 47.904 1.00 0.00 C ATOM 0 H VAL B 22 100.085 58.650 47.156 1.00 0.00 H new ATOM 0 HA VAL B 22 100.262 55.901 47.900 1.00 0.00 H new ATOM 0 HB VAL B 22 100.827 58.446 49.514 1.00 0.00 H new ATOM 0 HG11 VAL B 22 102.707 57.089 50.405 1.00 0.00 H new ATOM 0 HG12 VAL B 22 101.146 56.288 50.699 1.00 0.00 H new ATOM 0 HG13 VAL B 22 102.201 55.723 49.382 1.00 0.00 H new ATOM 0 HG21 VAL B 22 103.032 58.497 48.381 1.00 0.00 H new ATOM 0 HG22 VAL B 22 102.539 57.125 47.360 1.00 0.00 H new ATOM 0 HG23 VAL B 22 101.705 58.690 47.210 1.00 0.00 H new ATOM 1107 N LEU B 23 98.058 57.594 49.603 1.00 0.00 N ATOM 1108 CA LEU B 23 96.959 57.402 50.591 1.00 0.00 C ATOM 1109 C LEU B 23 95.848 56.538 49.986 1.00 0.00 C ATOM 1110 O LEU B 23 95.211 55.762 50.670 1.00 0.00 O ATOM 1111 CB LEU B 23 96.442 58.810 50.887 1.00 0.00 C ATOM 1112 CG LEU B 23 95.487 58.762 52.080 1.00 0.00 C ATOM 1113 CD1 LEU B 23 96.277 58.467 53.356 1.00 0.00 C ATOM 1114 CD2 LEU B 23 94.779 60.111 52.220 1.00 0.00 C ATOM 0 H LEU B 23 98.102 58.519 49.175 1.00 0.00 H new ATOM 0 HA LEU B 23 97.299 56.895 51.494 1.00 0.00 H new ATOM 0 HB2 LEU B 23 97.276 59.478 51.102 1.00 0.00 H new ATOM 0 HB3 LEU B 23 95.929 59.212 50.013 1.00 0.00 H new ATOM 0 HG LEU B 23 94.748 57.977 51.921 1.00 0.00 H new ATOM 0 HD11 LEU B 23 95.596 58.433 54.206 1.00 0.00 H new ATOM 0 HD12 LEU B 23 96.782 57.506 53.257 1.00 0.00 H new ATOM 0 HD13 LEU B 23 97.017 59.251 53.515 1.00 0.00 H new ATOM 0 HD21 LEU B 23 94.098 60.078 53.070 1.00 0.00 H new ATOM 0 HD22 LEU B 23 95.519 60.896 52.378 1.00 0.00 H new ATOM 0 HD23 LEU B 23 94.215 60.322 51.311 1.00 0.00 H new ATOM 1126 N ARG B 24 95.610 56.668 48.709 1.00 0.00 N ATOM 1127 CA ARG B 24 94.540 55.854 48.063 1.00 0.00 C ATOM 1128 C ARG B 24 95.127 54.561 47.491 1.00 0.00 C ATOM 1129 O ARG B 24 94.773 53.472 47.899 1.00 0.00 O ATOM 1130 CB ARG B 24 93.995 56.736 46.939 1.00 0.00 C ATOM 1131 CG ARG B 24 92.615 57.267 47.329 1.00 0.00 C ATOM 1132 CD ARG B 24 92.744 58.177 48.553 1.00 0.00 C ATOM 1133 NE ARG B 24 91.444 58.900 48.631 1.00 0.00 N ATOM 1134 CZ ARG B 24 90.370 58.272 49.024 1.00 0.00 C ATOM 1135 NH1 ARG B 24 90.415 57.491 50.068 1.00 0.00 N ATOM 1136 NH2 ARG B 24 89.250 58.425 48.371 1.00 0.00 N ATOM 0 H ARG B 24 96.110 57.302 48.085 1.00 0.00 H new ATOM 0 HA ARG B 24 93.762 55.564 48.769 1.00 0.00 H new ATOM 0 HB2 ARG B 24 94.676 57.566 46.752 1.00 0.00 H new ATOM 0 HB3 ARG B 24 93.928 56.164 46.014 1.00 0.00 H new ATOM 0 HG2 ARG B 24 92.178 57.819 46.497 1.00 0.00 H new ATOM 0 HG3 ARG B 24 91.943 56.437 47.549 1.00 0.00 H new ATOM 0 HD2 ARG B 24 92.929 57.598 49.458 1.00 0.00 H new ATOM 0 HD3 ARG B 24 93.577 58.872 48.443 1.00 0.00 H new ATOM 0 HE ARG B 24 91.393 59.887 48.377 1.00 0.00 H new ATOM 0 HH11 ARG B 24 91.290 57.371 50.578 1.00 0.00 H new ATOM 0 HH12 ARG B 24 89.575 57.000 50.375 1.00 0.00 H new ATOM 0 HH21 ARG B 24 89.215 59.035 47.554 1.00 0.00 H new ATOM 0 HH22 ARG B 24 88.410 57.934 48.677 1.00 0.00 H new ATOM 1150 N GLN B 25 96.022 54.671 46.547 1.00 0.00 N ATOM 1151 CA GLN B 25 96.632 53.448 45.947 1.00 0.00 C ATOM 1152 C GLN B 25 97.183 52.536 47.045 1.00 0.00 C ATOM 1153 O GLN B 25 97.010 51.334 47.013 1.00 0.00 O ATOM 1154 CB GLN B 25 97.766 53.965 45.062 1.00 0.00 C ATOM 1155 CG GLN B 25 97.703 53.279 43.696 1.00 0.00 C ATOM 1156 CD GLN B 25 98.451 51.946 43.758 1.00 0.00 C ATOM 1157 OE1 GLN B 25 99.006 51.594 44.779 1.00 0.00 O ATOM 1158 NE2 GLN B 25 98.491 51.184 42.699 1.00 0.00 N ATOM 0 H GLN B 25 96.358 55.555 46.165 1.00 0.00 H new ATOM 0 HA GLN B 25 95.908 52.861 45.382 1.00 0.00 H new ATOM 0 HB2 GLN B 25 97.684 55.045 44.942 1.00 0.00 H new ATOM 0 HB3 GLN B 25 98.728 53.769 45.535 1.00 0.00 H new ATOM 0 HG2 GLN B 25 96.665 53.112 43.409 1.00 0.00 H new ATOM 0 HG3 GLN B 25 98.145 53.921 42.934 1.00 0.00 H new ATOM 0 HE21 GLN B 25 98.025 51.479 41.841 1.00 0.00 H new ATOM 0 HE22 GLN B 25 98.988 50.294 42.730 1.00 0.00 H new ATOM 1167 N GLN B 26 97.843 53.100 48.017 1.00 0.00 N ATOM 1168 CA GLN B 26 98.406 52.270 49.121 1.00 0.00 C ATOM 1169 C GLN B 26 99.237 51.114 48.547 1.00 0.00 C ATOM 1170 O GLN B 26 98.911 49.962 48.749 1.00 0.00 O ATOM 1171 CB GLN B 26 97.186 51.735 49.871 1.00 0.00 C ATOM 1172 CG GLN B 26 97.025 52.491 51.191 1.00 0.00 C ATOM 1173 CD GLN B 26 96.804 51.493 52.329 1.00 0.00 C ATOM 1174 OE1 GLN B 26 97.339 51.657 53.408 1.00 0.00 O ATOM 1175 NE2 GLN B 26 96.032 50.460 52.134 1.00 0.00 N ATOM 0 H GLN B 26 98.018 54.102 48.096 1.00 0.00 H new ATOM 0 HA GLN B 26 99.068 52.841 49.772 1.00 0.00 H new ATOM 0 HB2 GLN B 26 96.291 51.853 49.261 1.00 0.00 H new ATOM 0 HB3 GLN B 26 97.303 50.668 50.063 1.00 0.00 H new ATOM 0 HG2 GLN B 26 97.912 53.092 51.388 1.00 0.00 H new ATOM 0 HG3 GLN B 26 96.182 53.179 51.128 1.00 0.00 H new ATOM 0 HE21 GLN B 26 95.583 50.323 51.228 1.00 0.00 H new ATOM 0 HE22 GLN B 26 95.877 49.790 52.887 1.00 0.00 H new ATOM 1184 N PRO B 27 100.290 51.460 47.845 1.00 0.00 N ATOM 1185 CA PRO B 27 101.168 50.428 47.240 1.00 0.00 C ATOM 1186 C PRO B 27 101.975 49.705 48.325 1.00 0.00 C ATOM 1187 O PRO B 27 102.111 50.202 49.426 1.00 0.00 O ATOM 1188 CB PRO B 27 102.087 51.230 46.322 1.00 0.00 C ATOM 1189 CG PRO B 27 102.101 52.608 46.901 1.00 0.00 C ATOM 1190 CD PRO B 27 100.759 52.820 47.550 1.00 0.00 C ATOM 0 HA PRO B 27 100.614 49.654 46.709 1.00 0.00 H new ATOM 0 HB2 PRO B 27 103.089 50.803 46.295 1.00 0.00 H new ATOM 0 HB3 PRO B 27 101.715 51.236 45.297 1.00 0.00 H new ATOM 0 HG2 PRO B 27 102.904 52.713 47.630 1.00 0.00 H new ATOM 0 HG3 PRO B 27 102.277 53.352 46.124 1.00 0.00 H new ATOM 0 HD2 PRO B 27 100.844 53.419 48.457 1.00 0.00 H new ATOM 0 HD3 PRO B 27 100.072 53.344 46.885 1.00 0.00 H new ATOM 1198 N PRO B 28 102.488 48.550 47.980 1.00 0.00 N ATOM 1199 CA PRO B 28 103.290 47.760 48.946 1.00 0.00 C ATOM 1200 C PRO B 28 104.643 48.433 49.195 1.00 0.00 C ATOM 1201 O PRO B 28 105.178 48.388 50.285 1.00 0.00 O ATOM 1202 CB PRO B 28 103.470 46.413 48.250 1.00 0.00 C ATOM 1203 CG PRO B 28 103.326 46.712 46.793 1.00 0.00 C ATOM 1204 CD PRO B 28 102.376 47.875 46.680 1.00 0.00 C ATOM 0 HA PRO B 28 102.814 47.667 49.922 1.00 0.00 H new ATOM 0 HB2 PRO B 28 104.446 45.982 48.470 1.00 0.00 H new ATOM 0 HB3 PRO B 28 102.721 45.693 48.582 1.00 0.00 H new ATOM 0 HG2 PRO B 28 104.292 46.957 46.351 1.00 0.00 H new ATOM 0 HG3 PRO B 28 102.941 45.845 46.256 1.00 0.00 H new ATOM 0 HD2 PRO B 28 102.652 48.538 45.860 1.00 0.00 H new ATOM 0 HD3 PRO B 28 101.356 47.541 46.490 1.00 0.00 H new ATOM 1212 N ASP B 29 105.198 49.058 48.193 1.00 0.00 N ATOM 1213 CA ASP B 29 106.516 49.734 48.374 1.00 0.00 C ATOM 1214 C ASP B 29 106.443 51.179 47.873 1.00 0.00 C ATOM 1215 O ASP B 29 106.097 51.436 46.737 1.00 0.00 O ATOM 1216 CB ASP B 29 107.496 48.922 47.527 1.00 0.00 C ATOM 1217 CG ASP B 29 107.851 47.626 48.258 1.00 0.00 C ATOM 1218 OD1 ASP B 29 108.684 47.680 49.148 1.00 0.00 O ATOM 1219 OD2 ASP B 29 107.283 46.601 47.917 1.00 0.00 O ATOM 0 H ASP B 29 104.797 49.130 47.258 1.00 0.00 H new ATOM 0 HA ASP B 29 106.819 49.776 49.420 1.00 0.00 H new ATOM 0 HB2 ASP B 29 107.053 48.695 46.557 1.00 0.00 H new ATOM 0 HB3 ASP B 29 108.398 49.504 47.338 1.00 0.00 H new ATOM 1224 N LEU B 30 106.768 52.124 48.712 1.00 0.00 N ATOM 1225 CA LEU B 30 106.718 53.552 48.284 1.00 0.00 C ATOM 1226 C LEU B 30 107.943 53.888 47.431 1.00 0.00 C ATOM 1227 O LEU B 30 107.846 54.578 46.435 1.00 0.00 O ATOM 1228 CB LEU B 30 106.732 54.355 49.584 1.00 0.00 C ATOM 1229 CG LEU B 30 106.599 55.844 49.267 1.00 0.00 C ATOM 1230 CD1 LEU B 30 105.132 56.262 49.384 1.00 0.00 C ATOM 1231 CD2 LEU B 30 107.439 56.652 50.258 1.00 0.00 C ATOM 0 H LEU B 30 107.066 51.970 49.675 1.00 0.00 H new ATOM 0 HA LEU B 30 105.839 53.773 47.679 1.00 0.00 H new ATOM 0 HB2 LEU B 30 105.914 54.036 50.230 1.00 0.00 H new ATOM 0 HB3 LEU B 30 107.658 54.170 50.128 1.00 0.00 H new ATOM 0 HG LEU B 30 106.950 56.032 48.253 1.00 0.00 H new ATOM 0 HD11 LEU B 30 105.037 57.324 49.158 1.00 0.00 H new ATOM 0 HD12 LEU B 30 104.532 55.686 48.679 1.00 0.00 H new ATOM 0 HD13 LEU B 30 104.780 56.074 50.398 1.00 0.00 H new ATOM 0 HD21 LEU B 30 107.345 57.714 50.033 1.00 0.00 H new ATOM 0 HD22 LEU B 30 107.087 56.463 51.272 1.00 0.00 H new ATOM 0 HD23 LEU B 30 108.484 56.355 50.176 1.00 0.00 H new ATOM 1243 N VAL B 31 109.095 53.402 47.809 1.00 0.00 N ATOM 1244 CA VAL B 31 110.326 53.689 47.014 1.00 0.00 C ATOM 1245 C VAL B 31 110.081 53.377 45.538 1.00 0.00 C ATOM 1246 O VAL B 31 110.081 54.251 44.695 1.00 0.00 O ATOM 1247 CB VAL B 31 111.389 52.750 47.580 1.00 0.00 C ATOM 1248 CG1 VAL B 31 112.728 53.016 46.890 1.00 0.00 C ATOM 1249 CG2 VAL B 31 111.533 52.996 49.083 1.00 0.00 C ATOM 0 H VAL B 31 109.238 52.819 48.634 1.00 0.00 H new ATOM 0 HA VAL B 31 110.625 54.735 47.079 1.00 0.00 H new ATOM 0 HB VAL B 31 111.091 51.716 47.405 1.00 0.00 H new ATOM 0 HG11 VAL B 31 113.486 52.345 47.295 1.00 0.00 H new ATOM 0 HG12 VAL B 31 112.626 52.843 45.819 1.00 0.00 H new ATOM 0 HG13 VAL B 31 113.028 54.049 47.064 1.00 0.00 H new ATOM 0 HG21 VAL B 31 112.291 52.327 49.490 1.00 0.00 H new ATOM 0 HG22 VAL B 31 111.831 54.030 49.256 1.00 0.00 H new ATOM 0 HG23 VAL B 31 110.579 52.806 49.576 1.00 0.00 H new ATOM 1259 N ASP B 32 109.866 52.131 45.226 1.00 0.00 N ATOM 1260 CA ASP B 32 109.613 51.747 43.813 1.00 0.00 C ATOM 1261 C ASP B 32 108.425 52.538 43.259 1.00 0.00 C ATOM 1262 O ASP B 32 108.428 52.964 42.121 1.00 0.00 O ATOM 1263 CB ASP B 32 109.294 50.255 43.873 1.00 0.00 C ATOM 1264 CG ASP B 32 109.825 49.566 42.615 1.00 0.00 C ATOM 1265 OD1 ASP B 32 111.003 49.249 42.591 1.00 0.00 O ATOM 1266 OD2 ASP B 32 109.046 49.369 41.698 1.00 0.00 O ATOM 0 H ASP B 32 109.855 51.359 45.893 1.00 0.00 H new ATOM 0 HA ASP B 32 110.460 51.957 43.160 1.00 0.00 H new ATOM 0 HB2 ASP B 32 109.745 49.812 44.761 1.00 0.00 H new ATOM 0 HB3 ASP B 32 108.217 50.106 43.955 1.00 0.00 H new ATOM 1271 N PHE B 33 107.411 52.743 44.056 1.00 0.00 N ATOM 1272 CA PHE B 33 106.231 53.513 43.570 1.00 0.00 C ATOM 1273 C PHE B 33 106.653 54.938 43.206 1.00 0.00 C ATOM 1274 O PHE B 33 106.301 55.455 42.165 1.00 0.00 O ATOM 1275 CB PHE B 33 105.247 53.530 44.740 1.00 0.00 C ATOM 1276 CG PHE B 33 104.028 54.335 44.355 1.00 0.00 C ATOM 1277 CD1 PHE B 33 103.186 53.884 43.314 1.00 0.00 C ATOM 1278 CD2 PHE B 33 103.731 55.540 45.031 1.00 0.00 C ATOM 1279 CE1 PHE B 33 102.047 54.636 42.949 1.00 0.00 C ATOM 1280 CE2 PHE B 33 102.591 56.292 44.666 1.00 0.00 C ATOM 1281 CZ PHE B 33 101.750 55.841 43.625 1.00 0.00 C ATOM 0 H PHE B 33 107.349 52.412 45.019 1.00 0.00 H new ATOM 0 HA PHE B 33 105.788 53.068 42.679 1.00 0.00 H new ATOM 0 HB2 PHE B 33 104.957 52.512 45.001 1.00 0.00 H new ATOM 0 HB3 PHE B 33 105.720 53.963 45.621 1.00 0.00 H new ATOM 0 HD1 PHE B 33 103.413 52.964 42.797 1.00 0.00 H new ATOM 0 HD2 PHE B 33 104.375 55.886 45.826 1.00 0.00 H new ATOM 0 HE1 PHE B 33 101.403 54.290 42.154 1.00 0.00 H new ATOM 0 HE2 PHE B 33 102.363 57.212 45.184 1.00 0.00 H new ATOM 0 HZ PHE B 33 100.880 56.417 43.346 1.00 0.00 H new ATOM 1291 N ALA B 34 107.408 55.573 44.060 1.00 0.00 N ATOM 1292 CA ALA B 34 107.860 56.963 43.770 1.00 0.00 C ATOM 1293 C ALA B 34 108.558 57.019 42.410 1.00 0.00 C ATOM 1294 O ALA B 34 108.480 58.003 41.701 1.00 0.00 O ATOM 1295 CB ALA B 34 108.842 57.298 44.892 1.00 0.00 C ATOM 0 H ALA B 34 107.732 55.188 44.948 1.00 0.00 H new ATOM 0 HA ALA B 34 107.030 57.669 43.729 1.00 0.00 H new ATOM 0 HB1 ALA B 34 109.223 58.310 44.752 1.00 0.00 H new ATOM 0 HB2 ALA B 34 108.332 57.232 45.853 1.00 0.00 H new ATOM 0 HB3 ALA B 34 109.672 56.592 44.872 1.00 0.00 H new ATOM 1301 N VAL B 35 109.242 55.971 42.040 1.00 0.00 N ATOM 1302 CA VAL B 35 109.944 55.962 40.732 1.00 0.00 C ATOM 1303 C VAL B 35 108.937 55.780 39.592 1.00 0.00 C ATOM 1304 O VAL B 35 108.938 56.517 38.627 1.00 0.00 O ATOM 1305 CB VAL B 35 110.890 54.766 40.818 1.00 0.00 C ATOM 1306 CG1 VAL B 35 111.589 54.572 39.477 1.00 0.00 C ATOM 1307 CG2 VAL B 35 111.937 55.024 41.905 1.00 0.00 C ATOM 0 H VAL B 35 109.343 55.119 42.592 1.00 0.00 H new ATOM 0 HA VAL B 35 110.475 56.893 40.531 1.00 0.00 H new ATOM 0 HB VAL B 35 110.321 53.869 41.064 1.00 0.00 H new ATOM 0 HG11 VAL B 35 112.264 53.718 39.539 1.00 0.00 H new ATOM 0 HG12 VAL B 35 110.845 54.391 38.702 1.00 0.00 H new ATOM 0 HG13 VAL B 35 112.159 55.468 39.231 1.00 0.00 H new ATOM 0 HG21 VAL B 35 112.613 54.172 41.968 1.00 0.00 H new ATOM 0 HG22 VAL B 35 112.505 55.921 41.657 1.00 0.00 H new ATOM 0 HG23 VAL B 35 111.439 55.164 42.864 1.00 0.00 H new ATOM 1317 N GLU B 36 108.078 54.803 39.696 1.00 0.00 N ATOM 1318 CA GLU B 36 107.074 54.575 38.617 1.00 0.00 C ATOM 1319 C GLU B 36 106.162 55.797 38.471 1.00 0.00 C ATOM 1320 O GLU B 36 105.824 56.203 37.377 1.00 0.00 O ATOM 1321 CB GLU B 36 106.269 53.358 39.076 1.00 0.00 C ATOM 1322 CG GLU B 36 107.192 52.141 39.168 1.00 0.00 C ATOM 1323 CD GLU B 36 107.063 51.306 37.893 1.00 0.00 C ATOM 1324 OE1 GLU B 36 106.912 51.895 36.835 1.00 0.00 O ATOM 1325 OE2 GLU B 36 107.119 50.092 37.996 1.00 0.00 O ATOM 0 H GLU B 36 108.028 54.153 40.481 1.00 0.00 H new ATOM 0 HA GLU B 36 107.543 54.413 37.646 1.00 0.00 H new ATOM 0 HB2 GLU B 36 105.812 53.555 40.046 1.00 0.00 H new ATOM 0 HB3 GLU B 36 105.457 53.160 38.376 1.00 0.00 H new ATOM 0 HG2 GLU B 36 108.225 52.464 39.301 1.00 0.00 H new ATOM 0 HG3 GLU B 36 106.931 51.538 40.038 1.00 0.00 H new ATOM 1332 N TYR B 37 105.761 56.386 39.564 1.00 0.00 N ATOM 1333 CA TYR B 37 104.870 57.580 39.484 1.00 0.00 C ATOM 1334 C TYR B 37 105.574 58.719 38.740 1.00 0.00 C ATOM 1335 O TYR B 37 105.111 59.185 37.719 1.00 0.00 O ATOM 1336 CB TYR B 37 104.602 57.973 40.938 1.00 0.00 C ATOM 1337 CG TYR B 37 103.764 59.230 40.975 1.00 0.00 C ATOM 1338 CD1 TYR B 37 102.537 59.283 40.276 1.00 0.00 C ATOM 1339 CD2 TYR B 37 104.208 60.354 41.708 1.00 0.00 C ATOM 1340 CE1 TYR B 37 101.754 60.459 40.311 1.00 0.00 C ATOM 1341 CE2 TYR B 37 103.425 61.530 41.743 1.00 0.00 C ATOM 1342 CZ TYR B 37 102.198 61.582 41.044 1.00 0.00 C ATOM 1343 OH TYR B 37 101.434 62.731 41.078 1.00 0.00 O ATOM 0 H TYR B 37 106.011 56.093 40.509 1.00 0.00 H new ATOM 0 HA TYR B 37 103.948 57.371 38.942 1.00 0.00 H new ATOM 0 HB2 TYR B 37 104.086 57.164 41.455 1.00 0.00 H new ATOM 0 HB3 TYR B 37 105.544 58.136 41.461 1.00 0.00 H new ATOM 0 HD1 TYR B 37 102.198 58.425 39.715 1.00 0.00 H new ATOM 0 HD2 TYR B 37 105.146 60.314 42.242 1.00 0.00 H new ATOM 0 HE1 TYR B 37 100.816 60.499 39.777 1.00 0.00 H new ATOM 0 HE2 TYR B 37 103.764 62.388 42.304 1.00 0.00 H new ATOM 0 HH TYR B 37 100.496 62.496 41.236 1.00 0.00 H new ATOM 1353 N PHE B 38 106.688 59.171 39.247 1.00 0.00 N ATOM 1354 CA PHE B 38 107.418 60.281 38.571 1.00 0.00 C ATOM 1355 C PHE B 38 107.890 59.840 37.183 1.00 0.00 C ATOM 1356 O PHE B 38 107.708 60.539 36.205 1.00 0.00 O ATOM 1357 CB PHE B 38 108.611 60.580 39.478 1.00 0.00 C ATOM 1358 CG PHE B 38 108.182 61.526 40.574 1.00 0.00 C ATOM 1359 CD1 PHE B 38 107.577 62.760 40.244 1.00 0.00 C ATOM 1360 CD2 PHE B 38 108.386 61.178 41.928 1.00 0.00 C ATOM 1361 CE1 PHE B 38 107.175 63.645 41.269 1.00 0.00 C ATOM 1362 CE2 PHE B 38 107.984 62.064 42.953 1.00 0.00 C ATOM 1363 CZ PHE B 38 107.378 63.298 42.623 1.00 0.00 C ATOM 0 H PHE B 38 107.124 58.820 40.100 1.00 0.00 H new ATOM 0 HA PHE B 38 106.789 61.159 38.424 1.00 0.00 H new ATOM 0 HB2 PHE B 38 108.995 59.656 39.910 1.00 0.00 H new ATOM 0 HB3 PHE B 38 109.422 61.021 38.898 1.00 0.00 H new ATOM 0 HD1 PHE B 38 107.422 63.026 39.209 1.00 0.00 H new ATOM 0 HD2 PHE B 38 108.849 60.235 42.180 1.00 0.00 H new ATOM 0 HE1 PHE B 38 106.712 64.588 41.017 1.00 0.00 H new ATOM 0 HE2 PHE B 38 108.140 61.798 43.988 1.00 0.00 H new ATOM 0 HZ PHE B 38 107.070 63.975 43.406 1.00 0.00 H new ATOM 1373 N THR B 39 108.493 58.686 37.085 1.00 0.00 N ATOM 1374 CA THR B 39 108.971 58.208 35.754 1.00 0.00 C ATOM 1375 C THR B 39 107.823 58.247 34.741 1.00 0.00 C ATOM 1376 O THR B 39 108.030 58.440 33.560 1.00 0.00 O ATOM 1377 CB THR B 39 109.437 56.769 35.990 1.00 0.00 C ATOM 1378 OG1 THR B 39 110.567 56.775 36.852 1.00 0.00 O ATOM 1379 CG2 THR B 39 109.819 56.125 34.656 1.00 0.00 C ATOM 0 H THR B 39 108.675 58.055 37.865 1.00 0.00 H new ATOM 0 HA THR B 39 109.771 58.829 35.352 1.00 0.00 H new ATOM 0 HB THR B 39 108.629 56.198 36.448 1.00 0.00 H new ATOM 0 HG1 THR B 39 110.271 56.664 37.780 1.00 0.00 H new ATOM 0 HG21 THR B 39 110.150 55.101 34.828 1.00 0.00 H new ATOM 0 HG22 THR B 39 108.954 56.120 33.993 1.00 0.00 H new ATOM 0 HG23 THR B 39 110.626 56.695 34.195 1.00 0.00 H new ATOM 1387 N ARG B 40 106.613 58.072 35.198 1.00 0.00 N ATOM 1388 CA ARG B 40 105.452 58.106 34.264 1.00 0.00 C ATOM 1389 C ARG B 40 105.076 59.557 33.954 1.00 0.00 C ATOM 1390 O ARG B 40 104.660 59.882 32.859 1.00 0.00 O ATOM 1391 CB ARG B 40 104.318 57.406 35.014 1.00 0.00 C ATOM 1392 CG ARG B 40 104.365 55.905 34.722 1.00 0.00 C ATOM 1393 CD ARG B 40 103.027 55.268 35.107 1.00 0.00 C ATOM 1394 NE ARG B 40 103.370 54.247 36.134 1.00 0.00 N ATOM 1395 CZ ARG B 40 103.011 53.004 35.965 1.00 0.00 C ATOM 1396 NH1 ARG B 40 103.647 52.251 35.109 1.00 0.00 N ATOM 1397 NH2 ARG B 40 102.015 52.514 36.651 1.00 0.00 N ATOM 0 H ARG B 40 106.378 57.907 36.177 1.00 0.00 H new ATOM 0 HA ARG B 40 105.669 57.620 33.313 1.00 0.00 H new ATOM 0 HB2 ARG B 40 104.413 57.582 36.085 1.00 0.00 H new ATOM 0 HB3 ARG B 40 103.356 57.817 34.707 1.00 0.00 H new ATOM 0 HG2 ARG B 40 104.570 55.736 33.665 1.00 0.00 H new ATOM 0 HG3 ARG B 40 105.176 55.440 35.282 1.00 0.00 H new ATOM 0 HD2 ARG B 40 102.336 56.011 35.504 1.00 0.00 H new ATOM 0 HD3 ARG B 40 102.543 54.812 34.243 1.00 0.00 H new ATOM 0 HE ARG B 40 103.886 54.519 36.971 1.00 0.00 H new ATOM 0 HH11 ARG B 40 104.425 52.634 34.572 1.00 0.00 H new ATOM 0 HH12 ARG B 40 103.366 51.279 34.977 1.00 0.00 H new ATOM 0 HH21 ARG B 40 101.517 53.103 37.319 1.00 0.00 H new ATOM 0 HH22 ARG B 40 101.734 51.542 36.519 1.00 0.00 H new ATOM 1411 N LEU B 41 105.224 60.432 34.911 1.00 0.00 N ATOM 1412 CA LEU B 41 104.880 61.863 34.675 1.00 0.00 C ATOM 1413 C LEU B 41 105.736 62.429 33.539 1.00 0.00 C ATOM 1414 O LEU B 41 105.375 63.395 32.897 1.00 0.00 O ATOM 1415 CB LEU B 41 105.201 62.571 35.992 1.00 0.00 C ATOM 1416 CG LEU B 41 103.907 62.827 36.764 1.00 0.00 C ATOM 1417 CD1 LEU B 41 104.149 62.603 38.258 1.00 0.00 C ATOM 1418 CD2 LEU B 41 103.453 64.270 36.533 1.00 0.00 C ATOM 0 H LEU B 41 105.569 60.218 35.847 1.00 0.00 H new ATOM 0 HA LEU B 41 103.838 61.996 34.386 1.00 0.00 H new ATOM 0 HB2 LEU B 41 105.878 61.960 36.589 1.00 0.00 H new ATOM 0 HB3 LEU B 41 105.712 63.514 35.795 1.00 0.00 H new ATOM 0 HG LEU B 41 103.135 62.141 36.415 1.00 0.00 H new ATOM 0 HD11 LEU B 41 103.226 62.786 38.808 1.00 0.00 H new ATOM 0 HD12 LEU B 41 104.473 61.576 38.424 1.00 0.00 H new ATOM 0 HD13 LEU B 41 104.921 63.288 38.608 1.00 0.00 H new ATOM 0 HD21 LEU B 41 102.530 64.454 37.083 1.00 0.00 H new ATOM 0 HD22 LEU B 41 104.226 64.955 36.882 1.00 0.00 H new ATOM 0 HD23 LEU B 41 103.279 64.431 35.469 1.00 0.00 H new ATOM 1430 N ARG B 42 106.868 61.831 33.285 1.00 0.00 N ATOM 1431 CA ARG B 42 107.746 62.325 32.196 1.00 0.00 C ATOM 1432 C ARG B 42 107.164 61.917 30.838 1.00 0.00 C ATOM 1433 O ARG B 42 107.390 62.564 29.834 1.00 0.00 O ATOM 1434 CB ARG B 42 109.088 61.636 32.457 1.00 0.00 C ATOM 1435 CG ARG B 42 110.020 61.856 31.270 1.00 0.00 C ATOM 1436 CD ARG B 42 111.354 62.421 31.764 1.00 0.00 C ATOM 1437 NE ARG B 42 112.219 62.478 30.553 1.00 0.00 N ATOM 1438 CZ ARG B 42 113.288 63.227 30.550 1.00 0.00 C ATOM 1439 NH1 ARG B 42 113.236 64.439 31.031 1.00 0.00 N ATOM 1440 NH2 ARG B 42 114.408 62.765 30.066 1.00 0.00 N ATOM 0 H ARG B 42 107.221 61.018 33.790 1.00 0.00 H new ATOM 0 HA ARG B 42 107.844 63.410 32.177 1.00 0.00 H new ATOM 0 HB2 ARG B 42 109.541 62.033 33.365 1.00 0.00 H new ATOM 0 HB3 ARG B 42 108.934 60.569 32.618 1.00 0.00 H new ATOM 0 HG2 ARG B 42 110.184 60.915 30.744 1.00 0.00 H new ATOM 0 HG3 ARG B 42 109.563 62.544 30.558 1.00 0.00 H new ATOM 0 HD2 ARG B 42 111.225 63.410 32.204 1.00 0.00 H new ATOM 0 HD3 ARG B 42 111.792 61.784 32.533 1.00 0.00 H new ATOM 0 HE ARG B 42 111.976 61.932 29.726 1.00 0.00 H new ATOM 0 HH11 ARG B 42 112.360 64.801 31.409 1.00 0.00 H new ATOM 0 HH12 ARG B 42 114.071 65.025 31.029 1.00 0.00 H new ATOM 0 HH21 ARG B 42 114.449 61.818 29.690 1.00 0.00 H new ATOM 0 HH22 ARG B 42 115.243 63.351 30.064 1.00 0.00 H new ATOM 1454 N GLU B 43 106.412 60.851 30.802 1.00 0.00 N ATOM 1455 CA GLU B 43 105.811 60.404 29.513 1.00 0.00 C ATOM 1456 C GLU B 43 104.310 60.722 29.481 1.00 0.00 C ATOM 1457 O GLU B 43 103.603 60.314 28.581 1.00 0.00 O ATOM 1458 CB GLU B 43 106.040 58.893 29.474 1.00 0.00 C ATOM 1459 CG GLU B 43 107.427 58.602 28.897 1.00 0.00 C ATOM 1460 CD GLU B 43 107.310 57.562 27.782 1.00 0.00 C ATOM 1461 OE1 GLU B 43 107.255 56.385 28.100 1.00 0.00 O ATOM 1462 OE2 GLU B 43 107.277 57.959 26.629 1.00 0.00 O ATOM 0 H GLU B 43 106.188 60.270 31.610 1.00 0.00 H new ATOM 0 HA GLU B 43 106.257 60.908 28.656 1.00 0.00 H new ATOM 0 HB2 GLU B 43 105.957 58.476 30.478 1.00 0.00 H new ATOM 0 HB3 GLU B 43 105.273 58.414 28.865 1.00 0.00 H new ATOM 0 HG2 GLU B 43 107.870 59.519 28.508 1.00 0.00 H new ATOM 0 HG3 GLU B 43 108.089 58.236 29.682 1.00 0.00 H new ATOM 1469 N ALA B 44 103.816 61.448 30.450 1.00 0.00 N ATOM 1470 CA ALA B 44 102.364 61.787 30.461 1.00 0.00 C ATOM 1471 C ALA B 44 102.133 63.128 29.772 1.00 0.00 C ATOM 1472 O ALA B 44 101.495 63.212 28.742 1.00 0.00 O ATOM 1473 CB ALA B 44 101.988 61.899 31.936 1.00 0.00 C ATOM 0 H ALA B 44 104.355 61.820 31.232 1.00 0.00 H new ATOM 0 HA ALA B 44 101.769 61.038 29.937 1.00 0.00 H new ATOM 0 HB1 ALA B 44 100.930 62.147 32.024 1.00 0.00 H new ATOM 0 HB2 ALA B 44 102.180 60.948 32.434 1.00 0.00 H new ATOM 0 HB3 ALA B 44 102.585 62.681 32.405 1.00 0.00 H new ATOM 1479 N ARG B 45 102.643 64.183 30.349 1.00 0.00 N ATOM 1480 CA ARG B 45 102.454 65.534 29.752 1.00 0.00 C ATOM 1481 C ARG B 45 102.769 65.510 28.252 1.00 0.00 C ATOM 1482 O ARG B 45 103.913 65.432 27.849 1.00 0.00 O ATOM 1483 CB ARG B 45 103.442 66.435 30.494 1.00 0.00 C ATOM 1484 CG ARG B 45 102.870 67.850 30.594 1.00 0.00 C ATOM 1485 CD ARG B 45 103.326 68.672 29.386 1.00 0.00 C ATOM 1486 NE ARG B 45 103.340 70.083 29.864 1.00 0.00 N ATOM 1487 CZ ARG B 45 104.113 70.960 29.284 1.00 0.00 C ATOM 1488 NH1 ARG B 45 105.344 71.115 29.689 1.00 0.00 N ATOM 1489 NH2 ARG B 45 103.656 71.683 28.298 1.00 0.00 N ATOM 0 H ARG B 45 103.185 64.165 31.213 1.00 0.00 H new ATOM 0 HA ARG B 45 101.426 65.884 29.849 1.00 0.00 H new ATOM 0 HB2 ARG B 45 103.634 66.038 31.491 1.00 0.00 H new ATOM 0 HB3 ARG B 45 104.397 66.454 29.969 1.00 0.00 H new ATOM 0 HG2 ARG B 45 101.781 67.812 30.631 1.00 0.00 H new ATOM 0 HG3 ARG B 45 103.204 68.324 31.517 1.00 0.00 H new ATOM 0 HD2 ARG B 45 104.314 68.360 29.047 1.00 0.00 H new ATOM 0 HD3 ARG B 45 102.645 68.547 28.544 1.00 0.00 H new ATOM 0 HE ARG B 45 102.746 70.363 30.644 1.00 0.00 H new ATOM 0 HH11 ARG B 45 105.702 70.550 30.459 1.00 0.00 H new ATOM 0 HH12 ARG B 45 105.948 71.801 29.235 1.00 0.00 H new ATOM 0 HH21 ARG B 45 102.694 71.563 27.980 1.00 0.00 H new ATOM 0 HH22 ARG B 45 104.261 72.368 27.845 1.00 0.00 H new ATOM 1503 N ARG B 46 101.763 65.573 27.424 1.00 0.00 N ATOM 1504 CA ARG B 46 102.005 65.550 25.953 1.00 0.00 C ATOM 1505 C ARG B 46 101.371 66.776 25.292 1.00 0.00 C ATOM 1506 O ARG B 46 101.455 66.882 24.079 1.00 0.00 O ATOM 1507 CB ARG B 46 101.331 64.268 25.463 1.00 0.00 C ATOM 1508 CG ARG B 46 102.391 63.188 25.235 1.00 0.00 C ATOM 1509 CD ARG B 46 101.705 61.838 25.017 1.00 0.00 C ATOM 1510 NE ARG B 46 102.787 60.827 25.177 1.00 0.00 N ATOM 1511 CZ ARG B 46 102.583 59.590 24.813 1.00 0.00 C ATOM 1512 NH1 ARG B 46 101.591 58.914 25.325 1.00 0.00 N ATOM 1513 NH2 ARG B 46 103.370 59.030 23.936 1.00 0.00 N ATOM 1514 OXT ARG B 46 100.811 67.589 26.009 1.00 0.00 O ATOM 0 H ARG B 46 100.784 65.639 27.702 1.00 0.00 H new ATOM 0 HA ARG B 46 103.067 65.573 25.709 1.00 0.00 H new ATOM 0 HB2 ARG B 46 100.600 63.926 26.196 1.00 0.00 H new ATOM 0 HB3 ARG B 46 100.788 64.461 24.538 1.00 0.00 H new ATOM 0 HG2 ARG B 46 103.003 63.441 24.369 1.00 0.00 H new ATOM 0 HG3 ARG B 46 103.060 63.133 26.093 1.00 0.00 H new ATOM 0 HD2 ARG B 46 100.906 61.679 25.741 1.00 0.00 H new ATOM 0 HD3 ARG B 46 101.253 61.780 24.027 1.00 0.00 H new ATOM 0 HE ARG B 46 103.687 61.101 25.571 1.00 0.00 H new ATOM 0 HH11 ARG B 46 100.975 59.352 26.010 1.00 0.00 H new ATOM 0 HH12 ARG B 46 101.432 57.948 25.040 1.00 0.00 H new ATOM 0 HH21 ARG B 46 104.145 59.559 23.535 1.00 0.00 H new ATOM 0 HH22 ARG B 46 103.211 58.064 23.652 1.00 0.00 H new TER 1528 ARG B 46