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=-0.00912 K(o=-0.0091,f=-0.99) USER MOD Single : A 1 HIS N :NH3+ -178:sc= 0.0658 (180deg=0.0615) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) 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 -127:sc= -4.53! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.6 K(o=-2.6,f=-4!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 66:sc= 0.52 USER MOD Single : A 39 THR OG1 : rot 130:sc= -1.8! USER MOD Single : B 1 HIS : no HD1:sc=-0.00252 K(o=-0.0025,f=-0.96) USER MOD Single : B 1 HIS N :NH3+ -178:sc= 0.0694 (180deg=0.0548) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 HIS : no HD1:sc= 0 X(o=0,f=0) 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 -33:sc= -4.4! USER MOD Single : B 19 THR OG1 : rot 180:sc=0.000297 USER MOD Single : B 25 GLN : amide:sc= -2.64 K(o=-2.6,f=-3.8!) USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 TYR OH : rot 76:sc= 0.507 USER MOD Single : B 39 THR OG1 : rot 130:sc= -1.6! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 92.368 71.960 69.848 1.00 0.00 N ATOM 2 CA HIS A 1 92.362 71.337 68.493 1.00 0.00 C ATOM 3 C HIS A 1 93.145 70.022 68.516 1.00 0.00 C ATOM 4 O HIS A 1 94.360 70.013 68.527 1.00 0.00 O ATOM 5 CB HIS A 1 93.048 72.357 67.585 1.00 0.00 C ATOM 6 CG HIS A 1 92.074 73.442 67.215 1.00 0.00 C ATOM 7 ND1 HIS A 1 90.800 73.509 67.759 1.00 0.00 N ATOM 8 CD2 HIS A 1 92.171 74.510 66.359 1.00 0.00 C ATOM 9 CE1 HIS A 1 90.188 74.582 67.227 1.00 0.00 C ATOM 10 NE2 HIS A 1 90.980 75.229 66.367 1.00 0.00 N ATOM 0 H1 HIS A 1 91.806 72.835 69.830 1.00 0.00 H new ATOM 0 H2 HIS A 1 91.957 71.298 70.536 1.00 0.00 H new ATOM 0 H3 HIS A 1 93.346 72.183 70.123 1.00 0.00 H new ATOM 0 HA HIS A 1 91.355 71.101 68.149 1.00 0.00 H new ATOM 0 HB2 HIS A 1 93.911 72.787 68.093 1.00 0.00 H new ATOM 0 HB3 HIS A 1 93.419 71.866 66.685 1.00 0.00 H new ATOM 0 HD2 HIS A 1 93.041 74.756 65.768 1.00 0.00 H new ATOM 0 HE1 HIS A 1 89.179 74.884 67.466 1.00 0.00 H new ATOM 0 HE2 HIS A 1 90.759 76.069 65.832 1.00 0.00 H new ATOM 20 N MET A 2 92.459 68.911 68.522 1.00 0.00 N ATOM 21 CA MET A 2 93.166 67.598 68.544 1.00 0.00 C ATOM 22 C MET A 2 92.229 66.486 68.061 1.00 0.00 C ATOM 23 O MET A 2 91.386 66.009 68.793 1.00 0.00 O ATOM 24 CB MET A 2 93.546 67.379 70.009 1.00 0.00 C ATOM 25 CG MET A 2 95.005 66.928 70.096 1.00 0.00 C ATOM 26 SD MET A 2 95.503 66.833 71.834 1.00 0.00 S ATOM 27 CE MET A 2 96.931 65.747 71.601 1.00 0.00 C ATOM 0 H MET A 2 91.441 68.856 68.513 1.00 0.00 H new ATOM 0 HA MET A 2 94.038 67.586 67.890 1.00 0.00 H new ATOM 0 HB2 MET A 2 93.405 68.300 70.574 1.00 0.00 H new ATOM 0 HB3 MET A 2 92.895 66.628 70.456 1.00 0.00 H new ATOM 0 HG2 MET A 2 95.126 65.956 69.618 1.00 0.00 H new ATOM 0 HG3 MET A 2 95.646 67.628 69.560 1.00 0.00 H new ATOM 0 HE1 MET A 2 97.401 65.552 72.565 1.00 0.00 H new ATOM 0 HE2 MET A 2 96.604 64.806 71.160 1.00 0.00 H new ATOM 0 HE3 MET A 2 97.650 66.228 70.938 1.00 0.00 H new ATOM 37 N GLY A 3 92.372 66.071 66.831 1.00 0.00 N ATOM 38 CA GLY A 3 91.490 64.993 66.302 1.00 0.00 C ATOM 39 C GLY A 3 92.320 63.732 66.053 1.00 0.00 C ATOM 40 O GLY A 3 93.121 63.332 66.874 1.00 0.00 O ATOM 0 H GLY A 3 93.061 66.432 66.171 1.00 0.00 H new ATOM 0 HA2 GLY A 3 90.691 64.781 67.012 1.00 0.00 H new ATOM 0 HA3 GLY A 3 91.016 65.318 65.376 1.00 0.00 H new ATOM 44 N HIS A 4 92.137 63.102 64.924 1.00 0.00 N ATOM 45 CA HIS A 4 92.918 61.868 64.625 1.00 0.00 C ATOM 46 C HIS A 4 93.539 61.958 63.228 1.00 0.00 C ATOM 47 O HIS A 4 93.040 62.645 62.360 1.00 0.00 O ATOM 48 CB HIS A 4 91.898 60.730 64.685 1.00 0.00 C ATOM 49 CG HIS A 4 91.811 60.212 66.094 1.00 0.00 C ATOM 50 ND1 HIS A 4 92.447 59.046 66.492 1.00 0.00 N ATOM 51 CD2 HIS A 4 91.170 60.690 67.208 1.00 0.00 C ATOM 52 CE1 HIS A 4 92.176 58.864 67.798 1.00 0.00 C ATOM 53 NE2 HIS A 4 91.401 59.837 68.284 1.00 0.00 N ATOM 0 H HIS A 4 91.481 63.388 64.197 1.00 0.00 H new ATOM 0 HA HIS A 4 93.738 61.719 65.327 1.00 0.00 H new ATOM 0 HB2 HIS A 4 90.921 61.084 64.355 1.00 0.00 H new ATOM 0 HB3 HIS A 4 92.191 59.928 64.008 1.00 0.00 H new ATOM 0 HD2 HIS A 4 90.576 61.591 67.245 1.00 0.00 H new ATOM 0 HE1 HIS A 4 92.541 58.032 68.382 1.00 0.00 H new ATOM 0 HE2 HIS A 4 91.053 59.934 69.238 1.00 0.00 H new ATOM 61 N ILE A 5 94.623 61.266 63.005 1.00 0.00 N ATOM 62 CA ILE A 5 95.274 61.312 61.664 1.00 0.00 C ATOM 63 C ILE A 5 95.453 59.893 61.117 1.00 0.00 C ATOM 64 O ILE A 5 95.622 58.947 61.860 1.00 0.00 O ATOM 65 CB ILE A 5 96.634 61.969 61.905 1.00 0.00 C ATOM 66 CG1 ILE A 5 96.429 63.357 62.516 1.00 0.00 C ATOM 67 CG2 ILE A 5 97.378 62.103 60.576 1.00 0.00 C ATOM 68 CD1 ILE A 5 96.308 63.234 64.035 1.00 0.00 C ATOM 0 H ILE A 5 95.086 60.671 63.692 1.00 0.00 H new ATOM 0 HA ILE A 5 94.680 61.863 60.935 1.00 0.00 H new ATOM 0 HB ILE A 5 97.219 61.353 62.589 1.00 0.00 H new ATOM 0 HG12 ILE A 5 97.266 64.006 62.259 1.00 0.00 H new ATOM 0 HG13 ILE A 5 95.530 63.817 62.105 1.00 0.00 H new ATOM 0 HG21 ILE A 5 98.347 62.571 60.747 1.00 0.00 H new ATOM 0 HG22 ILE A 5 97.524 61.115 60.140 1.00 0.00 H new ATOM 0 HG23 ILE A 5 96.793 62.719 59.892 1.00 0.00 H new ATOM 0 HD11 ILE A 5 96.162 64.223 64.470 1.00 0.00 H new ATOM 0 HD12 ILE A 5 95.457 62.600 64.282 1.00 0.00 H new ATOM 0 HD13 ILE A 5 97.219 62.791 64.438 1.00 0.00 H new ATOM 80 N GLN A 6 95.415 59.738 59.822 1.00 0.00 N ATOM 81 CA GLN A 6 95.581 58.380 59.229 1.00 0.00 C ATOM 82 C GLN A 6 96.778 58.363 58.273 1.00 0.00 C ATOM 83 O GLN A 6 96.691 57.881 57.162 1.00 0.00 O ATOM 84 CB GLN A 6 94.283 58.119 58.465 1.00 0.00 C ATOM 85 CG GLN A 6 94.146 56.621 58.187 1.00 0.00 C ATOM 86 CD GLN A 6 92.835 56.357 57.443 1.00 0.00 C ATOM 87 OE1 GLN A 6 92.623 56.869 56.362 1.00 0.00 O ATOM 88 NE2 GLN A 6 91.941 55.572 57.979 1.00 0.00 N ATOM 0 H GLN A 6 95.276 60.492 59.149 1.00 0.00 H new ATOM 0 HA GLN A 6 95.768 57.619 59.987 1.00 0.00 H new ATOM 0 HB2 GLN A 6 93.430 58.471 59.045 1.00 0.00 H new ATOM 0 HB3 GLN A 6 94.282 58.675 57.528 1.00 0.00 H new ATOM 0 HG2 GLN A 6 94.990 56.272 57.592 1.00 0.00 H new ATOM 0 HG3 GLN A 6 94.164 56.064 59.124 1.00 0.00 H new ATOM 0 HE21 GLN A 6 92.119 55.142 58.887 1.00 0.00 H new ATOM 0 HE22 GLN A 6 91.065 55.389 57.490 1.00 0.00 H new ATOM 97 N ILE A 7 97.895 58.887 58.698 1.00 0.00 N ATOM 98 CA ILE A 7 99.095 58.901 57.813 1.00 0.00 C ATOM 99 C ILE A 7 100.198 58.007 58.401 1.00 0.00 C ATOM 100 O ILE A 7 100.596 58.192 59.534 1.00 0.00 O ATOM 101 CB ILE A 7 99.547 60.361 57.791 1.00 0.00 C ATOM 102 CG1 ILE A 7 98.423 61.233 57.227 1.00 0.00 C ATOM 103 CG2 ILE A 7 100.788 60.499 56.908 1.00 0.00 C ATOM 104 CD1 ILE A 7 98.096 60.784 55.801 1.00 0.00 C ATOM 0 H ILE A 7 98.029 59.306 59.618 1.00 0.00 H new ATOM 0 HA ILE A 7 98.878 58.523 56.814 1.00 0.00 H new ATOM 0 HB ILE A 7 99.785 60.682 58.805 1.00 0.00 H new ATOM 0 HG12 ILE A 7 97.537 61.155 57.857 1.00 0.00 H new ATOM 0 HG13 ILE A 7 98.725 62.280 57.230 1.00 0.00 H new ATOM 0 HG21 ILE A 7 101.110 61.540 56.893 1.00 0.00 H new ATOM 0 HG22 ILE A 7 101.589 59.877 57.307 1.00 0.00 H new ATOM 0 HG23 ILE A 7 100.550 60.178 55.894 1.00 0.00 H new ATOM 0 HD11 ILE A 7 97.295 61.405 55.399 1.00 0.00 H new ATOM 0 HD12 ILE A 7 98.983 60.885 55.175 1.00 0.00 H new ATOM 0 HD13 ILE A 7 97.777 59.742 55.812 1.00 0.00 H new ATOM 116 N PRO A 8 100.663 57.062 57.616 1.00 0.00 N ATOM 117 CA PRO A 8 101.730 56.148 58.091 1.00 0.00 C ATOM 118 C PRO A 8 103.072 56.888 58.176 1.00 0.00 C ATOM 119 O PRO A 8 103.393 57.678 57.311 1.00 0.00 O ATOM 120 CB PRO A 8 101.776 55.060 57.023 1.00 0.00 C ATOM 121 CG PRO A 8 101.236 55.708 55.792 1.00 0.00 C ATOM 122 CD PRO A 8 100.253 56.757 56.239 1.00 0.00 C ATOM 0 HA PRO A 8 101.539 55.750 59.088 1.00 0.00 H new ATOM 0 HB2 PRO A 8 102.794 54.702 56.867 1.00 0.00 H new ATOM 0 HB3 PRO A 8 101.175 54.197 57.311 1.00 0.00 H new ATOM 0 HG2 PRO A 8 102.040 56.157 55.209 1.00 0.00 H new ATOM 0 HG3 PRO A 8 100.750 54.973 55.151 1.00 0.00 H new ATOM 0 HD2 PRO A 8 100.297 57.642 55.604 1.00 0.00 H new ATOM 0 HD3 PRO A 8 99.229 56.387 56.200 1.00 0.00 H new ATOM 130 N PRO A 9 103.818 56.611 59.219 1.00 0.00 N ATOM 131 CA PRO A 9 105.135 57.271 59.402 1.00 0.00 C ATOM 132 C PRO A 9 106.158 56.704 58.413 1.00 0.00 C ATOM 133 O PRO A 9 105.886 55.762 57.696 1.00 0.00 O ATOM 134 CB PRO A 9 105.516 56.923 60.838 1.00 0.00 C ATOM 135 CG PRO A 9 104.772 55.662 61.143 1.00 0.00 C ATOM 136 CD PRO A 9 103.515 55.677 60.312 1.00 0.00 C ATOM 0 HA PRO A 9 105.104 58.346 59.225 1.00 0.00 H new ATOM 0 HB2 PRO A 9 106.592 56.780 60.937 1.00 0.00 H new ATOM 0 HB3 PRO A 9 105.236 57.722 61.525 1.00 0.00 H new ATOM 0 HG2 PRO A 9 105.380 54.789 60.906 1.00 0.00 H new ATOM 0 HG3 PRO A 9 104.531 55.604 62.205 1.00 0.00 H new ATOM 0 HD2 PRO A 9 103.276 54.683 59.932 1.00 0.00 H new ATOM 0 HD3 PRO A 9 102.656 56.010 60.895 1.00 0.00 H new ATOM 144 N GLY A 10 107.331 57.272 58.369 1.00 0.00 N ATOM 145 CA GLY A 10 108.368 56.766 57.425 1.00 0.00 C ATOM 146 C GLY A 10 108.330 57.588 56.136 1.00 0.00 C ATOM 147 O GLY A 10 109.347 57.843 55.522 1.00 0.00 O ATOM 0 H GLY A 10 107.617 58.064 58.945 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.355 56.833 57.883 1.00 0.00 H new ATOM 0 HA3 GLY A 10 108.190 55.714 57.203 1.00 0.00 H new ATOM 151 N LEU A 11 107.165 58.005 55.722 1.00 0.00 N ATOM 152 CA LEU A 11 107.065 58.812 54.472 1.00 0.00 C ATOM 153 C LEU A 11 107.552 60.241 54.728 1.00 0.00 C ATOM 154 O LEU A 11 108.108 60.883 53.859 1.00 0.00 O ATOM 155 CB LEU A 11 105.579 58.808 54.114 1.00 0.00 C ATOM 156 CG LEU A 11 105.363 59.599 52.824 1.00 0.00 C ATOM 157 CD1 LEU A 11 104.163 59.027 52.068 1.00 0.00 C ATOM 158 CD2 LEU A 11 105.097 61.066 53.166 1.00 0.00 C ATOM 0 H LEU A 11 106.279 57.823 56.194 1.00 0.00 H new ATOM 0 HA LEU A 11 107.678 58.406 53.667 1.00 0.00 H new ATOM 0 HB2 LEU A 11 105.227 57.784 53.988 1.00 0.00 H new ATOM 0 HB3 LEU A 11 104.998 59.248 54.924 1.00 0.00 H new ATOM 0 HG LEU A 11 106.253 59.525 52.200 1.00 0.00 H new ATOM 0 HD11 LEU A 11 104.010 59.592 51.148 1.00 0.00 H new ATOM 0 HD12 LEU A 11 104.351 57.981 51.825 1.00 0.00 H new ATOM 0 HD13 LEU A 11 103.272 59.100 52.691 1.00 0.00 H new ATOM 0 HD21 LEU A 11 104.943 61.632 52.247 1.00 0.00 H new ATOM 0 HD22 LEU A 11 104.207 61.138 53.790 1.00 0.00 H new ATOM 0 HD23 LEU A 11 105.952 61.475 53.705 1.00 0.00 H new ATOM 170 N THR A 12 107.352 60.742 55.916 1.00 0.00 N ATOM 171 CA THR A 12 107.805 62.127 56.229 1.00 0.00 C ATOM 172 C THR A 12 109.327 62.223 56.108 1.00 0.00 C ATOM 173 O THR A 12 109.856 63.111 55.467 1.00 0.00 O ATOM 174 CB THR A 12 107.366 62.369 57.673 1.00 0.00 C ATOM 175 OG1 THR A 12 105.963 62.180 57.779 1.00 0.00 O ATOM 176 CG2 THR A 12 107.723 63.798 58.085 1.00 0.00 C ATOM 0 H THR A 12 106.894 60.252 56.684 1.00 0.00 H new ATOM 0 HA THR A 12 107.384 62.865 55.546 1.00 0.00 H new ATOM 0 HB THR A 12 107.878 61.666 58.330 1.00 0.00 H new ATOM 0 HG1 THR A 12 105.681 62.333 58.705 1.00 0.00 H new ATOM 0 HG21 THR A 12 107.409 63.969 59.115 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.801 63.941 58.005 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.214 64.504 57.429 1.00 0.00 H new ATOM 184 N GLU A 13 110.035 61.315 56.719 1.00 0.00 N ATOM 185 CA GLU A 13 111.524 61.349 56.642 1.00 0.00 C ATOM 186 C GLU A 13 111.979 61.367 55.180 1.00 0.00 C ATOM 187 O GLU A 13 112.785 62.183 54.782 1.00 0.00 O ATOM 188 CB GLU A 13 111.983 60.064 57.332 1.00 0.00 C ATOM 189 CG GLU A 13 113.512 60.014 57.359 1.00 0.00 C ATOM 190 CD GLU A 13 113.970 58.797 58.165 1.00 0.00 C ATOM 191 OE1 GLU A 13 113.274 57.795 58.134 1.00 0.00 O ATOM 192 OE2 GLU A 13 115.008 58.888 58.799 1.00 0.00 O ATOM 0 H GLU A 13 109.647 60.549 57.270 1.00 0.00 H new ATOM 0 HA GLU A 13 111.943 62.238 57.114 1.00 0.00 H new ATOM 0 HB2 GLU A 13 111.590 60.024 58.348 1.00 0.00 H new ATOM 0 HB3 GLU A 13 111.590 59.195 56.804 1.00 0.00 H new ATOM 0 HG2 GLU A 13 113.902 59.958 56.343 1.00 0.00 H new ATOM 0 HG3 GLU A 13 113.908 60.927 57.803 1.00 0.00 H new ATOM 199 N LEU A 14 111.466 60.472 54.379 1.00 0.00 N ATOM 200 CA LEU A 14 111.872 60.439 52.945 1.00 0.00 C ATOM 201 C LEU A 14 111.443 61.729 52.241 1.00 0.00 C ATOM 202 O LEU A 14 112.228 62.370 51.571 1.00 0.00 O ATOM 203 CB LEU A 14 111.137 59.235 52.352 1.00 0.00 C ATOM 204 CG LEU A 14 112.150 58.284 51.714 1.00 0.00 C ATOM 205 CD1 LEU A 14 112.966 57.597 52.810 1.00 0.00 C ATOM 206 CD2 LEU A 14 111.408 57.226 50.893 1.00 0.00 C ATOM 0 H LEU A 14 110.785 59.764 54.655 1.00 0.00 H new ATOM 0 HA LEU A 14 112.952 60.357 52.825 1.00 0.00 H new ATOM 0 HB2 LEU A 14 110.577 58.718 53.131 1.00 0.00 H new ATOM 0 HB3 LEU A 14 110.414 59.567 51.607 1.00 0.00 H new ATOM 0 HG LEU A 14 112.818 58.848 51.063 1.00 0.00 H new ATOM 0 HD11 LEU A 14 113.688 56.919 52.355 1.00 0.00 H new ATOM 0 HD12 LEU A 14 113.494 58.349 53.396 1.00 0.00 H new ATOM 0 HD13 LEU A 14 112.298 57.032 53.461 1.00 0.00 H new ATOM 0 HD21 LEU A 14 112.129 56.547 50.438 1.00 0.00 H new ATOM 0 HD22 LEU A 14 110.740 56.662 51.544 1.00 0.00 H new ATOM 0 HD23 LEU A 14 110.826 57.714 50.112 1.00 0.00 H new ATOM 218 N LEU A 15 110.205 62.115 52.388 1.00 0.00 N ATOM 219 CA LEU A 15 109.733 63.365 51.725 1.00 0.00 C ATOM 220 C LEU A 15 110.607 64.548 52.146 1.00 0.00 C ATOM 221 O LEU A 15 111.130 65.269 51.319 1.00 0.00 O ATOM 222 CB LEU A 15 108.296 63.558 52.211 1.00 0.00 C ATOM 223 CG LEU A 15 107.324 63.195 51.088 1.00 0.00 C ATOM 224 CD1 LEU A 15 107.582 64.096 49.879 1.00 0.00 C ATOM 225 CD2 LEU A 15 107.530 61.733 50.685 1.00 0.00 C ATOM 0 H LEU A 15 109.501 61.621 52.937 1.00 0.00 H new ATOM 0 HA LEU A 15 109.787 63.301 50.638 1.00 0.00 H new ATOM 0 HB2 LEU A 15 108.109 62.933 53.084 1.00 0.00 H new ATOM 0 HB3 LEU A 15 108.141 64.592 52.520 1.00 0.00 H new ATOM 0 HG LEU A 15 106.301 63.335 51.436 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.889 63.837 49.078 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.435 65.138 50.164 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.606 63.956 49.532 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.837 61.475 49.884 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.554 61.592 50.338 1.00 0.00 H new ATOM 0 HD23 LEU A 15 107.347 61.089 51.545 1.00 0.00 H new ATOM 237 N GLN A 16 110.779 64.752 53.426 1.00 0.00 N ATOM 238 CA GLN A 16 111.629 65.888 53.891 1.00 0.00 C ATOM 239 C GLN A 16 112.993 65.831 53.201 1.00 0.00 C ATOM 240 O GLN A 16 113.593 66.845 52.904 1.00 0.00 O ATOM 241 CB GLN A 16 111.778 65.683 55.399 1.00 0.00 C ATOM 242 CG GLN A 16 111.551 67.013 56.119 1.00 0.00 C ATOM 243 CD GLN A 16 112.255 66.985 57.477 1.00 0.00 C ATOM 244 OE1 GLN A 16 113.074 67.835 57.767 1.00 0.00 O ATOM 245 NE2 GLN A 16 111.968 66.038 58.328 1.00 0.00 N ATOM 0 H GLN A 16 110.369 64.183 54.167 1.00 0.00 H new ATOM 0 HA GLN A 16 111.192 66.859 53.658 1.00 0.00 H new ATOM 0 HB2 GLN A 16 111.060 64.941 55.749 1.00 0.00 H new ATOM 0 HB3 GLN A 16 112.772 65.298 55.628 1.00 0.00 H new ATOM 0 HG2 GLN A 16 111.935 67.836 55.515 1.00 0.00 H new ATOM 0 HG3 GLN A 16 110.484 67.188 56.254 1.00 0.00 H new ATOM 0 HE21 GLN A 16 111.281 65.325 58.085 1.00 0.00 H new ATOM 0 HE22 GLN A 16 112.431 66.011 59.236 1.00 0.00 H new ATOM 254 N GLY A 17 113.481 64.650 52.933 1.00 0.00 N ATOM 255 CA GLY A 17 114.799 64.531 52.251 1.00 0.00 C ATOM 256 C GLY A 17 114.732 65.273 50.917 1.00 0.00 C ATOM 257 O GLY A 17 115.521 66.156 50.646 1.00 0.00 O ATOM 0 H GLY A 17 113.025 63.766 53.157 1.00 0.00 H new ATOM 0 HA2 GLY A 17 115.587 64.950 52.877 1.00 0.00 H new ATOM 0 HA3 GLY A 17 115.046 63.482 52.087 1.00 0.00 H new ATOM 261 N TYR A 18 113.785 64.928 50.085 1.00 0.00 N ATOM 262 CA TYR A 18 113.651 65.615 48.768 1.00 0.00 C ATOM 263 C TYR A 18 113.664 67.134 48.955 1.00 0.00 C ATOM 264 O TYR A 18 114.332 67.854 48.241 1.00 0.00 O ATOM 265 CB TYR A 18 112.296 65.160 48.229 1.00 0.00 C ATOM 266 CG TYR A 18 112.376 65.009 46.733 1.00 0.00 C ATOM 267 CD1 TYR A 18 113.419 64.252 46.160 1.00 0.00 C ATOM 268 CD2 TYR A 18 111.410 65.624 45.907 1.00 0.00 C ATOM 269 CE1 TYR A 18 113.498 64.109 44.756 1.00 0.00 C ATOM 270 CE2 TYR A 18 111.488 65.483 44.505 1.00 0.00 C ATOM 271 CZ TYR A 18 112.532 64.724 43.928 1.00 0.00 C ATOM 272 OH TYR A 18 112.607 64.587 42.558 1.00 0.00 O ATOM 0 H TYR A 18 113.096 64.197 50.262 1.00 0.00 H new ATOM 0 HA TYR A 18 114.470 65.372 48.091 1.00 0.00 H new ATOM 0 HB2 TYR A 18 112.010 64.213 48.686 1.00 0.00 H new ATOM 0 HB3 TYR A 18 111.526 65.886 48.491 1.00 0.00 H new ATOM 0 HD1 TYR A 18 114.157 63.782 46.793 1.00 0.00 H new ATOM 0 HD2 TYR A 18 110.612 66.202 46.348 1.00 0.00 H new ATOM 0 HE1 TYR A 18 114.296 63.530 44.316 1.00 0.00 H new ATOM 0 HE2 TYR A 18 110.750 65.955 43.873 1.00 0.00 H new ATOM 0 HH TYR A 18 112.586 65.473 42.139 1.00 0.00 H new ATOM 282 N THR A 19 112.928 67.622 49.913 1.00 0.00 N ATOM 283 CA THR A 19 112.892 69.091 50.152 1.00 0.00 C ATOM 284 C THR A 19 114.300 69.608 50.459 1.00 0.00 C ATOM 285 O THR A 19 114.670 70.701 50.077 1.00 0.00 O ATOM 286 CB THR A 19 111.976 69.264 51.365 1.00 0.00 C ATOM 287 OG1 THR A 19 110.699 68.716 51.071 1.00 0.00 O ATOM 288 CG2 THR A 19 111.831 70.749 51.697 1.00 0.00 C ATOM 0 H THR A 19 112.349 67.066 50.542 1.00 0.00 H new ATOM 0 HA THR A 19 112.533 69.648 49.286 1.00 0.00 H new ATOM 0 HB THR A 19 112.408 68.747 52.222 1.00 0.00 H new ATOM 0 HG1 THR A 19 110.110 68.824 51.847 1.00 0.00 H new ATOM 0 HG21 THR A 19 111.178 70.866 52.562 1.00 0.00 H new ATOM 0 HG22 THR A 19 112.811 71.169 51.923 1.00 0.00 H new ATOM 0 HG23 THR A 19 111.401 71.272 50.843 1.00 0.00 H new ATOM 296 N VAL A 20 115.089 68.829 51.148 1.00 0.00 N ATOM 297 CA VAL A 20 116.474 69.272 51.482 1.00 0.00 C ATOM 298 C VAL A 20 117.388 69.144 50.258 1.00 0.00 C ATOM 299 O VAL A 20 118.363 69.856 50.125 1.00 0.00 O ATOM 300 CB VAL A 20 116.931 68.326 52.593 1.00 0.00 C ATOM 301 CG1 VAL A 20 118.377 68.647 52.976 1.00 0.00 C ATOM 302 CG2 VAL A 20 116.027 68.504 53.815 1.00 0.00 C ATOM 0 H VAL A 20 114.835 67.904 51.495 1.00 0.00 H new ATOM 0 HA VAL A 20 116.509 70.317 51.791 1.00 0.00 H new ATOM 0 HB VAL A 20 116.870 67.296 52.242 1.00 0.00 H new ATOM 0 HG11 VAL A 20 118.702 67.972 53.768 1.00 0.00 H new ATOM 0 HG12 VAL A 20 119.021 68.521 52.105 1.00 0.00 H new ATOM 0 HG13 VAL A 20 118.440 69.677 53.328 1.00 0.00 H new ATOM 0 HG21 VAL A 20 116.351 67.830 54.608 1.00 0.00 H new ATOM 0 HG22 VAL A 20 116.088 69.534 54.166 1.00 0.00 H new ATOM 0 HG23 VAL A 20 114.997 68.274 53.542 1.00 0.00 H new ATOM 312 N GLU A 21 117.081 68.244 49.364 1.00 0.00 N ATOM 313 CA GLU A 21 117.943 68.082 48.151 1.00 0.00 C ATOM 314 C GLU A 21 117.506 69.080 47.084 1.00 0.00 C ATOM 315 O GLU A 21 118.241 69.968 46.701 1.00 0.00 O ATOM 316 CB GLU A 21 117.732 66.650 47.615 1.00 0.00 C ATOM 317 CG GLU A 21 117.385 65.667 48.739 1.00 0.00 C ATOM 318 CD GLU A 21 118.120 64.346 48.511 1.00 0.00 C ATOM 319 OE1 GLU A 21 119.282 64.393 48.142 1.00 0.00 O ATOM 320 OE2 GLU A 21 117.509 63.309 48.708 1.00 0.00 O ATOM 0 H GLU A 21 116.278 67.617 49.417 1.00 0.00 H new ATOM 0 HA GLU A 21 118.990 68.255 48.399 1.00 0.00 H new ATOM 0 HB2 GLU A 21 116.932 66.653 46.875 1.00 0.00 H new ATOM 0 HB3 GLU A 21 118.636 66.316 47.106 1.00 0.00 H new ATOM 0 HG2 GLU A 21 117.666 66.089 49.704 1.00 0.00 H new ATOM 0 HG3 GLU A 21 116.309 65.496 48.767 1.00 0.00 H new ATOM 327 N VAL A 22 116.305 68.929 46.603 1.00 0.00 N ATOM 328 CA VAL A 22 115.791 69.851 45.554 1.00 0.00 C ATOM 329 C VAL A 22 115.997 71.308 45.975 1.00 0.00 C ATOM 330 O VAL A 22 116.098 72.195 45.150 1.00 0.00 O ATOM 331 CB VAL A 22 114.300 69.527 45.444 1.00 0.00 C ATOM 332 CG1 VAL A 22 113.691 70.329 44.301 1.00 0.00 C ATOM 333 CG2 VAL A 22 114.114 68.034 45.162 1.00 0.00 C ATOM 0 H VAL A 22 115.653 68.201 46.894 1.00 0.00 H new ATOM 0 HA VAL A 22 116.309 69.725 44.603 1.00 0.00 H new ATOM 0 HB VAL A 22 113.807 69.785 46.382 1.00 0.00 H new ATOM 0 HG11 VAL A 22 112.628 70.099 44.221 1.00 0.00 H new ATOM 0 HG12 VAL A 22 113.818 71.394 44.495 1.00 0.00 H new ATOM 0 HG13 VAL A 22 114.190 70.068 43.367 1.00 0.00 H new ATOM 0 HG21 VAL A 22 113.050 67.808 45.085 1.00 0.00 H new ATOM 0 HG22 VAL A 22 114.609 67.776 44.226 1.00 0.00 H new ATOM 0 HG23 VAL A 22 114.550 67.453 45.975 1.00 0.00 H new ATOM 343 N LEU A 23 116.063 71.562 47.254 1.00 0.00 N ATOM 344 CA LEU A 23 116.268 72.963 47.723 1.00 0.00 C ATOM 345 C LEU A 23 117.764 73.276 47.816 1.00 0.00 C ATOM 346 O LEU A 23 118.175 74.416 47.725 1.00 0.00 O ATOM 347 CB LEU A 23 115.621 73.015 49.108 1.00 0.00 C ATOM 348 CG LEU A 23 115.756 74.426 49.681 1.00 0.00 C ATOM 349 CD1 LEU A 23 114.740 75.352 49.009 1.00 0.00 C ATOM 350 CD2 LEU A 23 115.491 74.390 51.188 1.00 0.00 C ATOM 0 H LEU A 23 115.984 70.863 47.992 1.00 0.00 H new ATOM 0 HA LEU A 23 115.833 73.695 47.042 1.00 0.00 H new ATOM 0 HB2 LEU A 23 114.569 72.738 49.040 1.00 0.00 H new ATOM 0 HB3 LEU A 23 116.099 72.294 49.772 1.00 0.00 H new ATOM 0 HG LEU A 23 116.764 74.798 49.495 1.00 0.00 H new ATOM 0 HD11 LEU A 23 114.837 76.357 49.419 1.00 0.00 H new ATOM 0 HD12 LEU A 23 114.926 75.378 47.935 1.00 0.00 H new ATOM 0 HD13 LEU A 23 113.732 74.981 49.194 1.00 0.00 H new ATOM 0 HD21 LEU A 23 115.587 75.395 51.598 1.00 0.00 H new ATOM 0 HD22 LEU A 23 114.483 74.018 51.371 1.00 0.00 H new ATOM 0 HD23 LEU A 23 116.214 73.731 51.669 1.00 0.00 H new ATOM 362 N ARG A 24 118.582 72.276 48.001 1.00 0.00 N ATOM 363 CA ARG A 24 120.050 72.523 48.102 1.00 0.00 C ATOM 364 C ARG A 24 120.690 72.534 46.710 1.00 0.00 C ATOM 365 O ARG A 24 121.333 73.489 46.321 1.00 0.00 O ATOM 366 CB ARG A 24 120.594 71.363 48.935 1.00 0.00 C ATOM 367 CG ARG A 24 122.067 71.618 49.268 1.00 0.00 C ATOM 368 CD ARG A 24 122.221 71.836 50.776 1.00 0.00 C ATOM 369 NE ARG A 24 123.637 72.259 50.960 1.00 0.00 N ATOM 370 CZ ARG A 24 123.996 72.877 52.053 1.00 0.00 C ATOM 371 NH1 ARG A 24 123.437 74.011 52.375 1.00 0.00 N ATOM 372 NH2 ARG A 24 124.917 72.363 52.823 1.00 0.00 N ATOM 0 H ARG A 24 118.299 71.300 48.087 1.00 0.00 H new ATOM 0 HA ARG A 24 120.271 73.489 48.556 1.00 0.00 H new ATOM 0 HB2 ARG A 24 120.016 71.258 49.853 1.00 0.00 H new ATOM 0 HB3 ARG A 24 120.491 70.427 48.385 1.00 0.00 H new ATOM 0 HG2 ARG A 24 122.675 70.771 48.949 1.00 0.00 H new ATOM 0 HG3 ARG A 24 122.427 72.492 48.725 1.00 0.00 H new ATOM 0 HD2 ARG A 24 121.531 72.598 51.137 1.00 0.00 H new ATOM 0 HD3 ARG A 24 122.006 70.923 51.331 1.00 0.00 H new ATOM 0 HE ARG A 24 124.326 72.066 50.233 1.00 0.00 H new ATOM 0 HH11 ARG A 24 122.719 74.415 51.773 1.00 0.00 H new ATOM 0 HH12 ARG A 24 123.717 74.494 53.229 1.00 0.00 H new ATOM 0 HH21 ARG A 24 125.357 71.478 52.571 1.00 0.00 H new ATOM 0 HH22 ARG A 24 125.197 72.847 53.676 1.00 0.00 H new ATOM 386 N GLN A 25 120.527 71.479 45.957 1.00 0.00 N ATOM 387 CA GLN A 25 121.135 71.438 44.595 1.00 0.00 C ATOM 388 C GLN A 25 120.210 72.105 43.572 1.00 0.00 C ATOM 389 O GLN A 25 120.654 72.615 42.562 1.00 0.00 O ATOM 390 CB GLN A 25 121.316 69.951 44.278 1.00 0.00 C ATOM 391 CG GLN A 25 119.960 69.243 44.289 1.00 0.00 C ATOM 392 CD GLN A 25 120.075 67.906 43.557 1.00 0.00 C ATOM 393 OE1 GLN A 25 119.928 66.858 44.154 1.00 0.00 O ATOM 394 NE2 GLN A 25 120.333 67.895 42.277 1.00 0.00 N ATOM 0 H GLN A 25 120.001 70.647 46.225 1.00 0.00 H new ATOM 0 HA GLN A 25 122.082 71.977 44.555 1.00 0.00 H new ATOM 0 HB2 GLN A 25 121.788 69.834 43.303 1.00 0.00 H new ATOM 0 HB3 GLN A 25 121.980 69.493 45.011 1.00 0.00 H new ATOM 0 HG2 GLN A 25 119.631 69.080 45.315 1.00 0.00 H new ATOM 0 HG3 GLN A 25 119.208 69.869 43.809 1.00 0.00 H new ATOM 0 HE21 GLN A 25 120.457 68.774 41.774 1.00 0.00 H new ATOM 0 HE22 GLN A 25 120.411 67.008 41.780 1.00 0.00 H new ATOM 403 N GLN A 26 118.927 72.105 43.824 1.00 0.00 N ATOM 404 CA GLN A 26 117.971 72.739 42.865 1.00 0.00 C ATOM 405 C GLN A 26 118.260 72.278 41.428 1.00 0.00 C ATOM 406 O GLN A 26 118.899 72.983 40.673 1.00 0.00 O ATOM 407 CB GLN A 26 118.210 74.243 43.002 1.00 0.00 C ATOM 408 CG GLN A 26 116.905 74.933 43.401 1.00 0.00 C ATOM 409 CD GLN A 26 117.100 76.451 43.373 1.00 0.00 C ATOM 410 OE1 GLN A 26 117.266 77.034 42.320 1.00 0.00 O ATOM 411 NE2 GLN A 26 117.087 77.118 44.494 1.00 0.00 N ATOM 0 H GLN A 26 118.498 71.693 44.653 1.00 0.00 H new ATOM 0 HA GLN A 26 116.938 72.466 43.079 1.00 0.00 H new ATOM 0 HB2 GLN A 26 118.978 74.433 43.752 1.00 0.00 H new ATOM 0 HB3 GLN A 26 118.576 74.651 42.060 1.00 0.00 H new ATOM 0 HG2 GLN A 26 116.106 74.646 42.718 1.00 0.00 H new ATOM 0 HG3 GLN A 26 116.602 74.613 44.398 1.00 0.00 H new ATOM 0 HE21 GLN A 26 116.948 76.628 45.378 1.00 0.00 H new ATOM 0 HE22 GLN A 26 117.216 78.130 44.487 1.00 0.00 H new ATOM 420 N PRO A 27 117.780 71.105 41.094 1.00 0.00 N ATOM 421 CA PRO A 27 118.000 70.559 39.733 1.00 0.00 C ATOM 422 C PRO A 27 117.158 71.323 38.704 1.00 0.00 C ATOM 423 O PRO A 27 116.207 71.991 39.060 1.00 0.00 O ATOM 424 CB PRO A 27 117.534 69.109 39.847 1.00 0.00 C ATOM 425 CG PRO A 27 116.563 69.105 40.983 1.00 0.00 C ATOM 426 CD PRO A 27 117.002 70.186 41.936 1.00 0.00 C ATOM 0 HA PRO A 27 119.035 70.645 39.401 1.00 0.00 H new ATOM 0 HB2 PRO A 27 117.063 68.772 38.924 1.00 0.00 H new ATOM 0 HB3 PRO A 27 118.372 68.439 40.041 1.00 0.00 H new ATOM 0 HG2 PRO A 27 115.550 69.292 40.626 1.00 0.00 H new ATOM 0 HG3 PRO A 27 116.552 68.134 41.478 1.00 0.00 H new ATOM 0 HD2 PRO A 27 116.148 70.688 42.392 1.00 0.00 H new ATOM 0 HD3 PRO A 27 117.605 69.781 42.749 1.00 0.00 H new ATOM 434 N PRO A 28 117.532 71.197 37.454 1.00 0.00 N ATOM 435 CA PRO A 28 116.791 71.885 36.369 1.00 0.00 C ATOM 436 C PRO A 28 115.426 71.225 36.159 1.00 0.00 C ATOM 437 O PRO A 28 114.444 71.882 35.873 1.00 0.00 O ATOM 438 CB PRO A 28 117.684 71.695 35.145 1.00 0.00 C ATOM 439 CG PRO A 28 118.486 70.469 35.441 1.00 0.00 C ATOM 440 CD PRO A 28 118.662 70.414 36.935 1.00 0.00 C ATOM 0 HA PRO A 28 116.593 72.935 36.582 1.00 0.00 H new ATOM 0 HB2 PRO A 28 117.091 71.570 34.239 1.00 0.00 H new ATOM 0 HB3 PRO A 28 118.328 72.560 34.988 1.00 0.00 H new ATOM 0 HG2 PRO A 28 117.976 69.577 35.079 1.00 0.00 H new ATOM 0 HG3 PRO A 28 119.453 70.509 34.939 1.00 0.00 H new ATOM 0 HD2 PRO A 28 118.639 69.388 37.302 1.00 0.00 H new ATOM 0 HD3 PRO A 28 119.617 70.841 37.241 1.00 0.00 H new ATOM 448 N ASP A 29 115.357 69.930 36.303 1.00 0.00 N ATOM 449 CA ASP A 29 114.056 69.227 36.117 1.00 0.00 C ATOM 450 C ASP A 29 113.786 68.301 37.307 1.00 0.00 C ATOM 451 O ASP A 29 114.485 67.331 37.524 1.00 0.00 O ATOM 452 CB ASP A 29 114.219 68.415 34.833 1.00 0.00 C ATOM 453 CG ASP A 29 114.484 69.362 33.660 1.00 0.00 C ATOM 454 OD1 ASP A 29 113.947 70.458 33.678 1.00 0.00 O ATOM 455 OD2 ASP A 29 115.217 68.975 32.765 1.00 0.00 O ATOM 0 H ASP A 29 116.145 69.328 36.541 1.00 0.00 H new ATOM 0 HA ASP A 29 113.217 69.920 36.053 1.00 0.00 H new ATOM 0 HB2 ASP A 29 115.043 67.710 34.938 1.00 0.00 H new ATOM 0 HB3 ASP A 29 113.320 67.828 34.645 1.00 0.00 H new ATOM 460 N LEU A 30 112.778 68.597 38.079 1.00 0.00 N ATOM 461 CA LEU A 30 112.463 67.741 39.259 1.00 0.00 C ATOM 462 C LEU A 30 111.985 66.360 38.803 1.00 0.00 C ATOM 463 O LEU A 30 112.285 65.357 39.418 1.00 0.00 O ATOM 464 CB LEU A 30 111.344 68.483 39.992 1.00 0.00 C ATOM 465 CG LEU A 30 110.925 67.689 41.228 1.00 0.00 C ATOM 466 CD1 LEU A 30 111.696 68.198 42.447 1.00 0.00 C ATOM 467 CD2 LEU A 30 109.423 67.871 41.464 1.00 0.00 C ATOM 0 H LEU A 30 112.157 69.395 37.945 1.00 0.00 H new ATOM 0 HA LEU A 30 113.332 67.577 39.896 1.00 0.00 H new ATOM 0 HB2 LEU A 30 111.684 69.477 40.284 1.00 0.00 H new ATOM 0 HB3 LEU A 30 110.490 68.620 39.329 1.00 0.00 H new ATOM 0 HG LEU A 30 111.145 66.633 41.074 1.00 0.00 H new ATOM 0 HD11 LEU A 30 111.397 67.632 43.329 1.00 0.00 H new ATOM 0 HD12 LEU A 30 112.766 68.072 42.280 1.00 0.00 H new ATOM 0 HD13 LEU A 30 111.475 69.254 42.602 1.00 0.00 H new ATOM 0 HD21 LEU A 30 109.122 67.305 42.346 1.00 0.00 H new ATOM 0 HD22 LEU A 30 109.204 68.928 41.619 1.00 0.00 H new ATOM 0 HD23 LEU A 30 108.872 67.510 40.596 1.00 0.00 H new ATOM 479 N VAL A 31 111.247 66.299 37.727 1.00 0.00 N ATOM 480 CA VAL A 31 110.757 64.978 37.233 1.00 0.00 C ATOM 481 C VAL A 31 111.923 63.996 37.115 1.00 0.00 C ATOM 482 O VAL A 31 111.994 63.008 37.818 1.00 0.00 O ATOM 483 CB VAL A 31 110.169 65.263 35.853 1.00 0.00 C ATOM 484 CG1 VAL A 31 109.544 63.983 35.291 1.00 0.00 C ATOM 485 CG2 VAL A 31 109.093 66.345 35.970 1.00 0.00 C ATOM 0 H VAL A 31 110.962 67.104 37.169 1.00 0.00 H new ATOM 0 HA VAL A 31 110.025 64.533 37.907 1.00 0.00 H new ATOM 0 HB VAL A 31 110.959 65.606 35.186 1.00 0.00 H new ATOM 0 HG11 VAL A 31 109.124 64.185 34.306 1.00 0.00 H new ATOM 0 HG12 VAL A 31 110.309 63.211 35.208 1.00 0.00 H new ATOM 0 HG13 VAL A 31 108.754 63.640 35.959 1.00 0.00 H new ATOM 0 HG21 VAL A 31 108.673 66.549 34.985 1.00 0.00 H new ATOM 0 HG22 VAL A 31 108.303 66.001 36.637 1.00 0.00 H new ATOM 0 HG23 VAL A 31 109.536 67.257 36.371 1.00 0.00 H new ATOM 495 N ASP A 32 112.838 64.269 36.230 1.00 0.00 N ATOM 496 CA ASP A 32 114.007 63.365 36.060 1.00 0.00 C ATOM 497 C ASP A 32 114.709 63.159 37.404 1.00 0.00 C ATOM 498 O ASP A 32 115.122 62.066 37.739 1.00 0.00 O ATOM 499 CB ASP A 32 114.918 64.095 35.075 1.00 0.00 C ATOM 500 CG ASP A 32 115.430 63.109 34.023 1.00 0.00 C ATOM 501 OD1 ASP A 32 115.821 62.018 34.403 1.00 0.00 O ATOM 502 OD2 ASP A 32 115.424 63.463 32.856 1.00 0.00 O ATOM 0 H ASP A 32 112.827 65.082 35.615 1.00 0.00 H new ATOM 0 HA ASP A 32 113.727 62.376 35.698 1.00 0.00 H new ATOM 0 HB2 ASP A 32 114.373 64.907 34.593 1.00 0.00 H new ATOM 0 HB3 ASP A 32 115.757 64.545 35.605 1.00 0.00 H new ATOM 507 N PHE A 33 114.842 64.200 38.180 1.00 0.00 N ATOM 508 CA PHE A 33 115.509 64.059 39.505 1.00 0.00 C ATOM 509 C PHE A 33 114.733 63.065 40.372 1.00 0.00 C ATOM 510 O PHE A 33 115.300 62.181 40.983 1.00 0.00 O ATOM 511 CB PHE A 33 115.471 65.455 40.124 1.00 0.00 C ATOM 512 CG PHE A 33 116.195 65.433 41.449 1.00 0.00 C ATOM 513 CD1 PHE A 33 117.588 65.205 41.488 1.00 0.00 C ATOM 514 CD2 PHE A 33 115.477 65.631 42.650 1.00 0.00 C ATOM 515 CE1 PHE A 33 118.266 65.178 42.727 1.00 0.00 C ATOM 516 CE2 PHE A 33 116.154 65.602 43.890 1.00 0.00 C ATOM 517 CZ PHE A 33 117.549 65.375 43.928 1.00 0.00 C ATOM 0 H PHE A 33 114.518 65.140 37.954 1.00 0.00 H new ATOM 0 HA PHE A 33 116.529 63.685 39.419 1.00 0.00 H new ATOM 0 HB2 PHE A 33 115.938 66.176 39.453 1.00 0.00 H new ATOM 0 HB3 PHE A 33 114.439 65.775 40.266 1.00 0.00 H new ATOM 0 HD1 PHE A 33 118.135 65.051 40.570 1.00 0.00 H new ATOM 0 HD2 PHE A 33 114.411 65.804 42.620 1.00 0.00 H new ATOM 0 HE1 PHE A 33 119.332 65.007 42.756 1.00 0.00 H new ATOM 0 HE2 PHE A 33 115.606 65.753 44.808 1.00 0.00 H new ATOM 0 HZ PHE A 33 118.067 65.352 44.876 1.00 0.00 H new ATOM 527 N ALA A 34 113.435 63.202 40.426 1.00 0.00 N ATOM 528 CA ALA A 34 112.618 62.265 41.249 1.00 0.00 C ATOM 529 C ALA A 34 112.848 60.822 40.790 1.00 0.00 C ATOM 530 O ALA A 34 113.018 59.927 41.593 1.00 0.00 O ATOM 531 CB ALA A 34 111.168 62.682 40.999 1.00 0.00 C ATOM 0 H ALA A 34 112.905 63.923 39.935 1.00 0.00 H new ATOM 0 HA ALA A 34 112.878 62.308 42.307 1.00 0.00 H new ATOM 0 HB1 ALA A 34 110.500 62.038 41.571 1.00 0.00 H new ATOM 0 HB2 ALA A 34 111.028 63.717 41.310 1.00 0.00 H new ATOM 0 HB3 ALA A 34 110.940 62.588 39.937 1.00 0.00 H new ATOM 537 N VAL A 35 112.855 60.591 39.506 1.00 0.00 N ATOM 538 CA VAL A 35 113.076 59.211 38.999 1.00 0.00 C ATOM 539 C VAL A 35 114.524 58.786 39.251 1.00 0.00 C ATOM 540 O VAL A 35 114.808 57.637 39.518 1.00 0.00 O ATOM 541 CB VAL A 35 112.794 59.305 37.502 1.00 0.00 C ATOM 542 CG1 VAL A 35 113.075 57.958 36.847 1.00 0.00 C ATOM 543 CG2 VAL A 35 111.327 59.682 37.283 1.00 0.00 C ATOM 0 H VAL A 35 112.717 61.301 38.786 1.00 0.00 H new ATOM 0 HA VAL A 35 112.441 58.474 39.491 1.00 0.00 H new ATOM 0 HB VAL A 35 113.436 60.066 37.058 1.00 0.00 H new ATOM 0 HG11 VAL A 35 112.874 58.024 35.778 1.00 0.00 H new ATOM 0 HG12 VAL A 35 114.119 57.688 37.004 1.00 0.00 H new ATOM 0 HG13 VAL A 35 112.433 57.197 37.290 1.00 0.00 H new ATOM 0 HG21 VAL A 35 111.124 59.749 36.214 1.00 0.00 H new ATOM 0 HG22 VAL A 35 110.686 58.921 37.727 1.00 0.00 H new ATOM 0 HG23 VAL A 35 111.125 60.645 37.752 1.00 0.00 H new ATOM 553 N GLU A 36 115.442 59.709 39.169 1.00 0.00 N ATOM 554 CA GLU A 36 116.869 59.371 39.401 1.00 0.00 C ATOM 555 C GLU A 36 117.145 59.291 40.911 1.00 0.00 C ATOM 556 O GLU A 36 118.031 58.586 41.352 1.00 0.00 O ATOM 557 CB GLU A 36 117.631 60.529 38.732 1.00 0.00 C ATOM 558 CG GLU A 36 119.045 60.654 39.302 1.00 0.00 C ATOM 559 CD GLU A 36 120.049 60.806 38.157 1.00 0.00 C ATOM 560 OE1 GLU A 36 120.417 59.796 37.580 1.00 0.00 O ATOM 561 OE2 GLU A 36 120.433 61.930 37.878 1.00 0.00 O ATOM 0 H GLU A 36 115.261 60.689 38.950 1.00 0.00 H new ATOM 0 HA GLU A 36 117.167 58.405 38.993 1.00 0.00 H new ATOM 0 HB2 GLU A 36 117.682 60.362 37.656 1.00 0.00 H new ATOM 0 HB3 GLU A 36 117.089 61.462 38.885 1.00 0.00 H new ATOM 0 HG2 GLU A 36 119.105 61.515 39.968 1.00 0.00 H new ATOM 0 HG3 GLU A 36 119.287 59.773 39.897 1.00 0.00 H new ATOM 568 N TYR A 37 116.396 60.007 41.702 1.00 0.00 N ATOM 569 CA TYR A 37 116.622 59.968 43.176 1.00 0.00 C ATOM 570 C TYR A 37 116.052 58.674 43.767 1.00 0.00 C ATOM 571 O TYR A 37 116.779 57.812 44.220 1.00 0.00 O ATOM 572 CB TYR A 37 115.875 61.186 43.726 1.00 0.00 C ATOM 573 CG TYR A 37 115.930 61.174 45.236 1.00 0.00 C ATOM 574 CD1 TYR A 37 117.151 60.914 45.899 1.00 0.00 C ATOM 575 CD2 TYR A 37 114.758 61.420 45.987 1.00 0.00 C ATOM 576 CE1 TYR A 37 117.200 60.901 47.311 1.00 0.00 C ATOM 577 CE2 TYR A 37 114.807 61.406 47.399 1.00 0.00 C ATOM 578 CZ TYR A 37 116.028 61.146 48.060 1.00 0.00 C ATOM 579 OH TYR A 37 116.076 61.133 49.439 1.00 0.00 O ATOM 0 H TYR A 37 115.638 60.617 41.394 1.00 0.00 H new ATOM 0 HA TYR A 37 117.682 59.992 43.431 1.00 0.00 H new ATOM 0 HB2 TYR A 37 116.322 62.103 43.343 1.00 0.00 H new ATOM 0 HB3 TYR A 37 114.838 61.172 43.390 1.00 0.00 H new ATOM 0 HD1 TYR A 37 118.047 60.725 45.326 1.00 0.00 H new ATOM 0 HD2 TYR A 37 113.825 61.619 45.481 1.00 0.00 H new ATOM 0 HE1 TYR A 37 118.133 60.704 47.817 1.00 0.00 H new ATOM 0 HE2 TYR A 37 113.911 61.594 47.973 1.00 0.00 H new ATOM 0 HH TYR A 37 116.630 61.878 49.754 1.00 0.00 H new ATOM 589 N PHE A 38 114.755 58.535 43.770 1.00 0.00 N ATOM 590 CA PHE A 38 114.136 57.302 44.339 1.00 0.00 C ATOM 591 C PHE A 38 114.771 56.050 43.728 1.00 0.00 C ATOM 592 O PHE A 38 115.182 55.147 44.432 1.00 0.00 O ATOM 593 CB PHE A 38 112.657 57.397 43.969 1.00 0.00 C ATOM 594 CG PHE A 38 111.967 58.352 44.911 1.00 0.00 C ATOM 595 CD1 PHE A 38 112.098 58.184 46.308 1.00 0.00 C ATOM 596 CD2 PHE A 38 111.193 59.417 44.399 1.00 0.00 C ATOM 597 CE1 PHE A 38 111.455 59.078 47.192 1.00 0.00 C ATOM 598 CE2 PHE A 38 110.550 60.313 45.283 1.00 0.00 C ATOM 599 CZ PHE A 38 110.681 60.143 46.679 1.00 0.00 C ATOM 0 H PHE A 38 114.096 59.221 43.403 1.00 0.00 H new ATOM 0 HA PHE A 38 114.282 57.228 45.417 1.00 0.00 H new ATOM 0 HB2 PHE A 38 112.549 57.741 42.940 1.00 0.00 H new ATOM 0 HB3 PHE A 38 112.192 56.413 44.026 1.00 0.00 H new ATOM 0 HD1 PHE A 38 112.691 57.371 46.700 1.00 0.00 H new ATOM 0 HD2 PHE A 38 111.093 59.547 43.332 1.00 0.00 H new ATOM 0 HE1 PHE A 38 111.555 58.948 48.259 1.00 0.00 H new ATOM 0 HE2 PHE A 38 109.959 61.127 44.891 1.00 0.00 H new ATOM 0 HZ PHE A 38 110.189 60.827 47.355 1.00 0.00 H new ATOM 609 N THR A 39 114.858 55.980 42.427 1.00 0.00 N ATOM 610 CA THR A 39 115.470 54.778 41.787 1.00 0.00 C ATOM 611 C THR A 39 116.856 54.514 42.383 1.00 0.00 C ATOM 612 O THR A 39 117.239 53.383 42.609 1.00 0.00 O ATOM 613 CB THR A 39 115.578 55.126 40.302 1.00 0.00 C ATOM 614 OG1 THR A 39 114.274 55.287 39.761 1.00 0.00 O ATOM 615 CG2 THR A 39 116.302 53.999 39.563 1.00 0.00 C ATOM 0 H THR A 39 114.533 56.700 41.781 1.00 0.00 H new ATOM 0 HA THR A 39 114.878 53.877 41.948 1.00 0.00 H new ATOM 0 HB THR A 39 116.139 56.053 40.185 1.00 0.00 H new ATOM 0 HG1 THR A 39 114.226 56.134 39.270 1.00 0.00 H new ATOM 0 HG21 THR A 39 116.378 54.248 38.505 1.00 0.00 H new ATOM 0 HG22 THR A 39 117.302 53.874 39.979 1.00 0.00 H new ATOM 0 HG23 THR A 39 115.743 53.071 39.678 1.00 0.00 H new ATOM 623 N ARG A 40 117.606 55.549 42.644 1.00 0.00 N ATOM 624 CA ARG A 40 118.962 55.355 43.231 1.00 0.00 C ATOM 625 C ARG A 40 118.842 54.941 44.700 1.00 0.00 C ATOM 626 O ARG A 40 119.703 54.275 45.240 1.00 0.00 O ATOM 627 CB ARG A 40 119.644 56.719 43.113 1.00 0.00 C ATOM 628 CG ARG A 40 121.126 56.581 43.464 1.00 0.00 C ATOM 629 CD ARG A 40 121.928 57.656 42.728 1.00 0.00 C ATOM 630 NE ARG A 40 122.188 58.707 43.749 1.00 0.00 N ATOM 631 CZ ARG A 40 122.530 59.911 43.374 1.00 0.00 C ATOM 632 NH1 ARG A 40 123.714 60.124 42.868 1.00 0.00 N ATOM 633 NH2 ARG A 40 121.690 60.900 43.507 1.00 0.00 N ATOM 0 H ARG A 40 117.339 56.519 42.477 1.00 0.00 H new ATOM 0 HA ARG A 40 119.526 54.573 42.723 1.00 0.00 H new ATOM 0 HB2 ARG A 40 119.534 57.106 42.100 1.00 0.00 H new ATOM 0 HB3 ARG A 40 119.166 57.435 43.781 1.00 0.00 H new ATOM 0 HG2 ARG A 40 121.266 56.681 44.540 1.00 0.00 H new ATOM 0 HG3 ARG A 40 121.486 55.590 43.186 1.00 0.00 H new ATOM 0 HD2 ARG A 40 122.859 57.252 42.331 1.00 0.00 H new ATOM 0 HD3 ARG A 40 121.369 58.056 41.882 1.00 0.00 H new ATOM 0 HE ARG A 40 122.099 58.488 44.741 1.00 0.00 H new ATOM 0 HH11 ARG A 40 124.371 59.351 42.766 1.00 0.00 H new ATOM 0 HH12 ARG A 40 123.982 61.064 42.575 1.00 0.00 H new ATOM 0 HH21 ARG A 40 120.765 60.734 43.904 1.00 0.00 H new ATOM 0 HH22 ARG A 40 121.958 61.840 43.214 1.00 0.00 H new ATOM 647 N LEU A 41 117.778 55.330 45.348 1.00 0.00 N ATOM 648 CA LEU A 41 117.599 54.961 46.781 1.00 0.00 C ATOM 649 C LEU A 41 117.555 53.437 46.931 1.00 0.00 C ATOM 650 O LEU A 41 118.035 52.886 47.901 1.00 0.00 O ATOM 651 CB LEU A 41 116.261 55.579 47.187 1.00 0.00 C ATOM 652 CG LEU A 41 116.455 56.448 48.431 1.00 0.00 C ATOM 653 CD1 LEU A 41 116.549 57.917 48.018 1.00 0.00 C ATOM 654 CD2 LEU A 41 115.267 56.259 49.376 1.00 0.00 C ATOM 0 H LEU A 41 117.024 55.888 44.947 1.00 0.00 H new ATOM 0 HA LEU A 41 118.418 55.319 47.405 1.00 0.00 H new ATOM 0 HB2 LEU A 41 115.863 56.180 46.369 1.00 0.00 H new ATOM 0 HB3 LEU A 41 115.532 54.794 47.389 1.00 0.00 H new ATOM 0 HG LEU A 41 117.374 56.154 48.939 1.00 0.00 H new ATOM 0 HD11 LEU A 41 116.687 58.536 48.904 1.00 0.00 H new ATOM 0 HD12 LEU A 41 117.396 58.052 47.345 1.00 0.00 H new ATOM 0 HD13 LEU A 41 115.631 58.211 47.509 1.00 0.00 H new ATOM 0 HD21 LEU A 41 115.405 56.878 50.262 1.00 0.00 H new ATOM 0 HD22 LEU A 41 114.348 56.552 48.868 1.00 0.00 H new ATOM 0 HD23 LEU A 41 115.200 55.212 49.672 1.00 0.00 H new ATOM 666 N ARG A 42 116.982 52.754 45.979 1.00 0.00 N ATOM 667 CA ARG A 42 116.908 51.267 46.071 1.00 0.00 C ATOM 668 C ARG A 42 118.310 50.677 46.240 1.00 0.00 C ATOM 669 O ARG A 42 118.510 49.725 46.968 1.00 0.00 O ATOM 670 CB ARG A 42 116.296 50.816 44.744 1.00 0.00 C ATOM 671 CG ARG A 42 114.970 50.101 45.010 1.00 0.00 C ATOM 672 CD ARG A 42 113.856 50.792 44.223 1.00 0.00 C ATOM 673 NE ARG A 42 113.926 50.197 42.860 1.00 0.00 N ATOM 674 CZ ARG A 42 112.952 50.389 42.012 1.00 0.00 C ATOM 675 NH1 ARG A 42 111.713 50.334 42.417 1.00 0.00 N ATOM 676 NH2 ARG A 42 113.219 50.636 40.758 1.00 0.00 N ATOM 0 H ARG A 42 116.562 53.159 45.142 1.00 0.00 H new ATOM 0 HA ARG A 42 116.318 50.937 46.926 1.00 0.00 H new ATOM 0 HB2 ARG A 42 116.133 51.677 44.095 1.00 0.00 H new ATOM 0 HB3 ARG A 42 116.983 50.149 44.223 1.00 0.00 H new ATOM 0 HG2 ARG A 42 115.043 49.054 44.716 1.00 0.00 H new ATOM 0 HG3 ARG A 42 114.742 50.118 46.076 1.00 0.00 H new ATOM 0 HD2 ARG A 42 112.882 50.618 44.681 1.00 0.00 H new ATOM 0 HD3 ARG A 42 114.005 51.871 44.191 1.00 0.00 H new ATOM 0 HE ARG A 42 114.735 49.639 42.589 1.00 0.00 H new ATOM 0 HH11 ARG A 42 111.505 50.141 43.397 1.00 0.00 H new ATOM 0 HH12 ARG A 42 110.953 50.484 41.754 1.00 0.00 H new ATOM 0 HH21 ARG A 42 114.188 50.679 40.442 1.00 0.00 H new ATOM 0 HH22 ARG A 42 112.459 50.786 40.095 1.00 0.00 H new ATOM 690 N GLU A 43 119.284 51.235 45.572 1.00 0.00 N ATOM 691 CA GLU A 43 120.673 50.705 45.693 1.00 0.00 C ATOM 692 C GLU A 43 121.255 51.029 47.074 1.00 0.00 C ATOM 693 O GLU A 43 122.271 50.490 47.466 1.00 0.00 O ATOM 694 CB GLU A 43 121.465 51.419 44.597 1.00 0.00 C ATOM 695 CG GLU A 43 121.404 50.601 43.305 1.00 0.00 C ATOM 696 CD GLU A 43 122.605 49.656 43.243 1.00 0.00 C ATOM 697 OE1 GLU A 43 123.720 50.140 43.344 1.00 0.00 O ATOM 698 OE2 GLU A 43 122.390 48.465 43.096 1.00 0.00 O ATOM 0 H GLU A 43 119.178 52.035 44.948 1.00 0.00 H new ATOM 0 HA GLU A 43 120.708 49.621 45.585 1.00 0.00 H new ATOM 0 HB2 GLU A 43 121.056 52.415 44.429 1.00 0.00 H new ATOM 0 HB3 GLU A 43 122.501 51.549 44.909 1.00 0.00 H new ATOM 0 HG2 GLU A 43 120.476 50.030 43.267 1.00 0.00 H new ATOM 0 HG3 GLU A 43 121.405 51.265 42.441 1.00 0.00 H new ATOM 705 N ALA A 44 120.627 51.902 47.814 1.00 0.00 N ATOM 706 CA ALA A 44 121.157 52.251 49.164 1.00 0.00 C ATOM 707 C ALA A 44 120.493 51.393 50.236 1.00 0.00 C ATOM 708 O ALA A 44 121.134 50.615 50.914 1.00 0.00 O ATOM 709 CB ALA A 44 120.782 53.715 49.375 1.00 0.00 C ATOM 0 H ALA A 44 119.772 52.388 47.543 1.00 0.00 H new ATOM 0 HA ALA A 44 122.232 52.082 49.230 1.00 0.00 H new ATOM 0 HB1 ALA A 44 121.139 54.045 50.350 1.00 0.00 H new ATOM 0 HB2 ALA A 44 121.240 54.324 48.595 1.00 0.00 H new ATOM 0 HB3 ALA A 44 119.698 53.823 49.330 1.00 0.00 H new ATOM 715 N ARG A 45 119.208 51.547 50.407 1.00 0.00 N ATOM 716 CA ARG A 45 118.490 50.761 51.447 1.00 0.00 C ATOM 717 C ARG A 45 118.863 49.276 51.363 1.00 0.00 C ATOM 718 O ARG A 45 118.863 48.569 52.352 1.00 0.00 O ATOM 719 CB ARG A 45 117.005 50.961 51.141 1.00 0.00 C ATOM 720 CG ARG A 45 116.165 50.125 52.109 1.00 0.00 C ATOM 721 CD ARG A 45 116.413 50.600 53.543 1.00 0.00 C ATOM 722 NE ARG A 45 115.220 50.144 54.309 1.00 0.00 N ATOM 723 CZ ARG A 45 115.368 49.634 55.502 1.00 0.00 C ATOM 724 NH1 ARG A 45 116.274 50.114 56.309 1.00 0.00 N ATOM 725 NH2 ARG A 45 114.611 48.643 55.886 1.00 0.00 N ATOM 0 H ARG A 45 118.624 52.186 49.868 1.00 0.00 H new ATOM 0 HA ARG A 45 118.749 51.088 52.454 1.00 0.00 H new ATOM 0 HB2 ARG A 45 116.743 52.015 51.233 1.00 0.00 H new ATOM 0 HB3 ARG A 45 116.792 50.668 50.113 1.00 0.00 H new ATOM 0 HG2 ARG A 45 115.107 50.217 51.862 1.00 0.00 H new ATOM 0 HG3 ARG A 45 116.424 49.070 52.014 1.00 0.00 H new ATOM 0 HD2 ARG A 45 117.330 50.172 53.948 1.00 0.00 H new ATOM 0 HD3 ARG A 45 116.520 51.684 53.587 1.00 0.00 H new ATOM 0 HE ARG A 45 114.289 50.230 53.902 1.00 0.00 H new ATOM 0 HH11 ARG A 45 116.867 50.888 56.008 1.00 0.00 H new ATOM 0 HH12 ARG A 45 116.390 49.716 57.241 1.00 0.00 H new ATOM 0 HH21 ARG A 45 113.904 48.267 55.254 1.00 0.00 H new ATOM 0 HH22 ARG A 45 114.726 48.244 56.818 1.00 0.00 H new ATOM 739 N ARG A 46 119.179 48.799 50.192 1.00 0.00 N ATOM 740 CA ARG A 46 119.552 47.362 50.047 1.00 0.00 C ATOM 741 C ARG A 46 120.929 47.236 49.390 1.00 0.00 C ATOM 742 O ARG A 46 121.028 47.519 48.207 1.00 0.00 O ATOM 743 CB ARG A 46 118.472 46.761 49.147 1.00 0.00 C ATOM 744 CG ARG A 46 117.100 46.961 49.793 1.00 0.00 C ATOM 745 CD ARG A 46 116.067 46.089 49.077 1.00 0.00 C ATOM 746 NE ARG A 46 115.951 44.863 49.914 1.00 0.00 N ATOM 747 CZ ARG A 46 115.544 43.744 49.379 1.00 0.00 C ATOM 748 NH1 ARG A 46 116.229 43.194 48.415 1.00 0.00 N ATOM 749 NH2 ARG A 46 114.451 43.174 49.811 1.00 0.00 N ATOM 750 OXT ARG A 46 121.861 46.860 50.082 1.00 0.00 O ATOM 0 H ARG A 46 119.196 49.341 49.328 1.00 0.00 H new ATOM 0 HA ARG A 46 119.612 46.852 51.009 1.00 0.00 H new ATOM 0 HB2 ARG A 46 118.496 47.235 48.166 1.00 0.00 H new ATOM 0 HB3 ARG A 46 118.662 45.699 48.993 1.00 0.00 H new ATOM 0 HG2 ARG A 46 117.142 46.699 50.850 1.00 0.00 H new ATOM 0 HG3 ARG A 46 116.809 48.010 49.736 1.00 0.00 H new ATOM 0 HD2 ARG A 46 115.109 46.601 48.993 1.00 0.00 H new ATOM 0 HD3 ARG A 46 116.389 45.847 48.064 1.00 0.00 H new ATOM 0 HE ARG A 46 116.189 44.898 50.905 1.00 0.00 H new ATOM 0 HH11 ARG A 46 117.083 43.638 48.079 1.00 0.00 H new ATOM 0 HH12 ARG A 46 115.910 42.320 47.997 1.00 0.00 H new ATOM 0 HH21 ARG A 46 113.916 43.603 50.566 1.00 0.00 H new ATOM 0 HH22 ARG A 46 114.132 42.300 49.393 1.00 0.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 103.173 88.197 61.324 1.00 0.00 N ATOM 766 CA HIS B 1 104.168 87.198 60.835 1.00 0.00 C ATOM 767 C HIS B 1 104.191 87.180 59.304 1.00 0.00 C ATOM 768 O HIS B 1 103.313 86.634 58.667 1.00 0.00 O ATOM 769 CB HIS B 1 103.682 85.855 61.379 1.00 0.00 C ATOM 770 CG HIS B 1 104.080 85.722 62.823 1.00 0.00 C ATOM 771 ND1 HIS B 1 104.687 86.754 63.523 1.00 0.00 N ATOM 772 CD2 HIS B 1 103.964 84.683 63.714 1.00 0.00 C ATOM 773 CE1 HIS B 1 104.910 86.317 64.777 1.00 0.00 C ATOM 774 NE2 HIS B 1 104.488 85.062 64.947 1.00 0.00 N ATOM 0 H1 HIS B 1 103.191 88.224 62.363 1.00 0.00 H new ATOM 0 H2 HIS B 1 103.412 89.137 60.949 1.00 0.00 H new ATOM 0 H3 HIS B 1 102.222 87.927 61.001 1.00 0.00 H new ATOM 0 HA HIS B 1 105.181 87.429 61.165 1.00 0.00 H new ATOM 0 HB2 HIS B 1 102.599 85.782 61.282 1.00 0.00 H new ATOM 0 HB3 HIS B 1 104.110 85.039 60.797 1.00 0.00 H new ATOM 0 HD2 HIS B 1 103.532 83.718 63.492 1.00 0.00 H new ATOM 0 HE1 HIS B 1 105.374 86.910 65.551 1.00 0.00 H new ATOM 0 HE2 HIS B 1 104.539 84.501 65.797 1.00 0.00 H new ATOM 784 N MET B 2 105.189 87.775 58.709 1.00 0.00 N ATOM 785 CA MET B 2 105.267 87.790 57.220 1.00 0.00 C ATOM 786 C MET B 2 106.701 88.079 56.770 1.00 0.00 C ATOM 787 O MET B 2 107.148 89.209 56.774 1.00 0.00 O ATOM 788 CB MET B 2 104.330 88.919 56.788 1.00 0.00 C ATOM 789 CG MET B 2 103.438 88.433 55.645 1.00 0.00 C ATOM 790 SD MET B 2 102.214 89.707 55.251 1.00 0.00 S ATOM 791 CE MET B 2 101.804 89.123 53.589 1.00 0.00 C ATOM 0 H MET B 2 105.953 88.251 59.189 1.00 0.00 H new ATOM 0 HA MET B 2 104.983 86.834 56.780 1.00 0.00 H new ATOM 0 HB2 MET B 2 103.717 89.240 57.630 1.00 0.00 H new ATOM 0 HB3 MET B 2 104.910 89.785 56.468 1.00 0.00 H new ATOM 0 HG2 MET B 2 104.043 88.211 54.766 1.00 0.00 H new ATOM 0 HG3 MET B 2 102.937 87.508 55.929 1.00 0.00 H new ATOM 0 HE1 MET B 2 101.051 89.777 53.149 1.00 0.00 H new ATOM 0 HE2 MET B 2 102.700 89.133 52.968 1.00 0.00 H new ATOM 0 HE3 MET B 2 101.414 88.107 53.646 1.00 0.00 H new ATOM 801 N GLY B 3 107.426 87.066 56.382 1.00 0.00 N ATOM 802 CA GLY B 3 108.830 87.283 55.932 1.00 0.00 C ATOM 803 C GLY B 3 108.937 86.999 54.433 1.00 0.00 C ATOM 804 O GLY B 3 108.117 87.434 53.649 1.00 0.00 O ATOM 0 H GLY B 3 107.107 86.098 56.357 1.00 0.00 H new ATOM 0 HA2 GLY B 3 109.135 88.308 56.141 1.00 0.00 H new ATOM 0 HA3 GLY B 3 109.505 86.630 56.485 1.00 0.00 H new ATOM 808 N HIS B 4 109.944 86.275 54.028 1.00 0.00 N ATOM 809 CA HIS B 4 110.103 85.965 52.579 1.00 0.00 C ATOM 810 C HIS B 4 110.342 84.466 52.380 1.00 0.00 C ATOM 811 O HIS B 4 110.839 83.786 53.255 1.00 0.00 O ATOM 812 CB HIS B 4 111.327 86.766 52.134 1.00 0.00 C ATOM 813 CG HIS B 4 110.893 88.136 51.690 1.00 0.00 C ATOM 814 ND1 HIS B 4 110.760 88.473 50.352 1.00 0.00 N ATOM 815 CD2 HIS B 4 110.556 89.265 52.396 1.00 0.00 C ATOM 816 CE1 HIS B 4 110.358 89.756 50.294 1.00 0.00 C ATOM 817 NE2 HIS B 4 110.219 90.287 51.512 1.00 0.00 N ATOM 0 H HIS B 4 110.663 85.885 54.637 1.00 0.00 H new ATOM 0 HA HIS B 4 109.215 86.223 52.003 1.00 0.00 H new ATOM 0 HB2 HIS B 4 112.040 86.846 52.954 1.00 0.00 H new ATOM 0 HB3 HIS B 4 111.835 86.251 51.319 1.00 0.00 H new ATOM 0 HD2 HIS B 4 110.553 89.348 53.473 1.00 0.00 H new ATOM 0 HE1 HIS B 4 110.171 90.291 49.375 1.00 0.00 H new ATOM 0 HE2 HIS B 4 109.929 91.237 51.744 1.00 0.00 H new ATOM 825 N ILE B 5 109.991 83.947 51.235 1.00 0.00 N ATOM 826 CA ILE B 5 110.198 82.493 50.980 1.00 0.00 C ATOM 827 C ILE B 5 111.003 82.292 49.692 1.00 0.00 C ATOM 828 O ILE B 5 110.925 83.082 48.772 1.00 0.00 O ATOM 829 CB ILE B 5 108.791 81.914 50.829 1.00 0.00 C ATOM 830 CG1 ILE B 5 107.989 82.186 52.104 1.00 0.00 C ATOM 831 CG2 ILE B 5 108.882 80.404 50.597 1.00 0.00 C ATOM 832 CD1 ILE B 5 107.337 83.567 52.011 1.00 0.00 C ATOM 0 H ILE B 5 109.570 84.467 50.465 1.00 0.00 H new ATOM 0 HA ILE B 5 110.755 82.007 51.781 1.00 0.00 H new ATOM 0 HB ILE B 5 108.295 82.383 49.979 1.00 0.00 H new ATOM 0 HG12 ILE B 5 107.225 81.420 52.237 1.00 0.00 H new ATOM 0 HG13 ILE B 5 108.643 82.139 52.975 1.00 0.00 H new ATOM 0 HG21 ILE B 5 107.879 79.991 50.489 1.00 0.00 H new ATOM 0 HG22 ILE B 5 109.454 80.209 49.690 1.00 0.00 H new ATOM 0 HG23 ILE B 5 109.378 79.935 51.446 1.00 0.00 H new ATOM 0 HD11 ILE B 5 106.766 83.761 52.919 1.00 0.00 H new ATOM 0 HD12 ILE B 5 108.110 84.327 51.899 1.00 0.00 H new ATOM 0 HD13 ILE B 5 106.670 83.597 51.149 1.00 0.00 H new ATOM 844 N GLN B 6 111.774 81.243 49.621 1.00 0.00 N ATOM 845 CA GLN B 6 112.583 80.994 48.392 1.00 0.00 C ATOM 846 C GLN B 6 112.225 79.633 47.790 1.00 0.00 C ATOM 847 O GLN B 6 113.087 78.842 47.462 1.00 0.00 O ATOM 848 CB GLN B 6 114.038 81.008 48.865 1.00 0.00 C ATOM 849 CG GLN B 6 114.967 81.201 47.665 1.00 0.00 C ATOM 850 CD GLN B 6 116.419 81.234 48.144 1.00 0.00 C ATOM 851 OE1 GLN B 6 116.899 80.283 48.728 1.00 0.00 O ATOM 852 NE2 GLN B 6 117.144 82.295 47.920 1.00 0.00 N ATOM 0 H GLN B 6 111.880 80.547 50.359 1.00 0.00 H new ATOM 0 HA GLN B 6 112.400 81.740 47.619 1.00 0.00 H new ATOM 0 HB2 GLN B 6 114.188 81.811 49.587 1.00 0.00 H new ATOM 0 HB3 GLN B 6 114.274 80.074 49.374 1.00 0.00 H new ATOM 0 HG2 GLN B 6 114.827 80.391 46.949 1.00 0.00 H new ATOM 0 HG3 GLN B 6 114.722 82.129 47.148 1.00 0.00 H new ATOM 0 HE21 GLN B 6 116.741 83.094 47.430 1.00 0.00 H new ATOM 0 HE22 GLN B 6 118.114 82.326 48.235 1.00 0.00 H new ATOM 861 N ILE B 7 110.959 79.353 47.644 1.00 0.00 N ATOM 862 CA ILE B 7 110.545 78.043 47.065 1.00 0.00 C ATOM 863 C ILE B 7 109.852 78.258 45.712 1.00 0.00 C ATOM 864 O ILE B 7 108.890 78.996 45.627 1.00 0.00 O ATOM 865 CB ILE B 7 109.564 77.458 48.081 1.00 0.00 C ATOM 866 CG1 ILE B 7 110.272 77.281 49.427 1.00 0.00 C ATOM 867 CG2 ILE B 7 109.064 76.100 47.586 1.00 0.00 C ATOM 868 CD1 ILE B 7 111.457 76.328 49.259 1.00 0.00 C ATOM 0 H ILE B 7 110.193 79.975 47.901 1.00 0.00 H new ATOM 0 HA ILE B 7 111.393 77.382 46.886 1.00 0.00 H new ATOM 0 HB ILE B 7 108.717 78.134 48.200 1.00 0.00 H new ATOM 0 HG12 ILE B 7 110.618 78.246 49.798 1.00 0.00 H new ATOM 0 HG13 ILE B 7 109.576 76.886 50.167 1.00 0.00 H new ATOM 0 HG21 ILE B 7 108.365 75.683 48.311 1.00 0.00 H new ATOM 0 HG22 ILE B 7 108.561 76.225 46.627 1.00 0.00 H new ATOM 0 HG23 ILE B 7 109.909 75.422 47.467 1.00 0.00 H new ATOM 0 HD11 ILE B 7 111.961 76.202 50.217 1.00 0.00 H new ATOM 0 HD12 ILE B 7 111.099 75.360 48.907 1.00 0.00 H new ATOM 0 HD13 ILE B 7 112.157 76.742 48.533 1.00 0.00 H new ATOM 880 N PRO B 8 110.357 77.607 44.688 1.00 0.00 N ATOM 881 CA PRO B 8 109.758 77.748 43.337 1.00 0.00 C ATOM 882 C PRO B 8 108.408 77.021 43.273 1.00 0.00 C ATOM 883 O PRO B 8 108.265 75.941 43.809 1.00 0.00 O ATOM 884 CB PRO B 8 110.778 77.081 42.419 1.00 0.00 C ATOM 885 CG PRO B 8 111.510 76.119 43.294 1.00 0.00 C ATOM 886 CD PRO B 8 111.509 76.696 44.684 1.00 0.00 C ATOM 0 HA PRO B 8 109.560 78.784 43.062 1.00 0.00 H new ATOM 0 HB2 PRO B 8 110.289 76.568 41.591 1.00 0.00 H new ATOM 0 HB3 PRO B 8 111.457 77.814 41.983 1.00 0.00 H new ATOM 0 HG2 PRO B 8 111.026 75.142 43.282 1.00 0.00 H new ATOM 0 HG3 PRO B 8 112.530 75.974 42.938 1.00 0.00 H new ATOM 0 HD2 PRO B 8 111.405 75.917 45.440 1.00 0.00 H new ATOM 0 HD3 PRO B 8 112.438 77.225 44.897 1.00 0.00 H new ATOM 894 N PRO B 9 107.454 77.637 42.617 1.00 0.00 N ATOM 895 CA PRO B 9 106.107 77.027 42.493 1.00 0.00 C ATOM 896 C PRO B 9 106.143 75.852 41.510 1.00 0.00 C ATOM 897 O PRO B 9 107.141 75.600 40.866 1.00 0.00 O ATOM 898 CB PRO B 9 105.244 78.163 41.951 1.00 0.00 C ATOM 899 CG PRO B 9 106.199 79.075 41.249 1.00 0.00 C ATOM 900 CD PRO B 9 107.531 78.939 41.939 1.00 0.00 C ATOM 0 HA PRO B 9 105.730 76.626 43.434 1.00 0.00 H new ATOM 0 HB2 PRO B 9 104.482 77.788 41.268 1.00 0.00 H new ATOM 0 HB3 PRO B 9 104.723 78.681 42.756 1.00 0.00 H new ATOM 0 HG2 PRO B 9 106.282 78.808 40.195 1.00 0.00 H new ATOM 0 HG3 PRO B 9 105.848 80.106 41.290 1.00 0.00 H new ATOM 0 HD2 PRO B 9 108.354 78.968 41.225 1.00 0.00 H new ATOM 0 HD3 PRO B 9 107.696 79.749 42.649 1.00 0.00 H new ATOM 908 N GLY B 10 105.060 75.133 41.391 1.00 0.00 N ATOM 909 CA GLY B 10 105.035 73.978 40.451 1.00 0.00 C ATOM 910 C GLY B 10 105.356 72.692 41.215 1.00 0.00 C ATOM 911 O GLY B 10 104.824 71.638 40.925 1.00 0.00 O ATOM 0 H GLY B 10 104.193 75.296 41.903 1.00 0.00 H new ATOM 0 HA2 GLY B 10 104.055 73.899 39.981 1.00 0.00 H new ATOM 0 HA3 GLY B 10 105.761 74.130 39.652 1.00 0.00 H new ATOM 915 N LEU B 11 106.221 72.770 42.189 1.00 0.00 N ATOM 916 CA LEU B 11 106.573 71.551 42.971 1.00 0.00 C ATOM 917 C LEU B 11 105.435 71.195 43.932 1.00 0.00 C ATOM 918 O LEU B 11 105.194 70.040 44.221 1.00 0.00 O ATOM 919 CB LEU B 11 107.834 71.929 43.748 1.00 0.00 C ATOM 920 CG LEU B 11 108.301 70.732 44.579 1.00 0.00 C ATOM 921 CD1 LEU B 11 109.821 70.780 44.735 1.00 0.00 C ATOM 922 CD2 LEU B 11 107.646 70.786 45.961 1.00 0.00 C ATOM 0 H LEU B 11 106.699 73.624 42.477 1.00 0.00 H new ATOM 0 HA LEU B 11 106.734 70.682 42.333 1.00 0.00 H new ATOM 0 HB2 LEU B 11 108.621 72.235 43.058 1.00 0.00 H new ATOM 0 HB3 LEU B 11 107.632 72.780 44.399 1.00 0.00 H new ATOM 0 HG LEU B 11 108.017 69.808 44.076 1.00 0.00 H new ATOM 0 HD11 LEU B 11 110.153 69.927 45.327 1.00 0.00 H new ATOM 0 HD12 LEU B 11 110.289 70.743 43.751 1.00 0.00 H new ATOM 0 HD13 LEU B 11 110.106 71.704 45.238 1.00 0.00 H new ATOM 0 HD21 LEU B 11 107.978 69.934 46.554 1.00 0.00 H new ATOM 0 HD22 LEU B 11 107.931 71.711 46.463 1.00 0.00 H new ATOM 0 HD23 LEU B 11 106.562 70.752 45.851 1.00 0.00 H new ATOM 934 N THR B 12 104.733 72.179 44.425 1.00 0.00 N ATOM 935 CA THR B 12 103.610 71.896 45.364 1.00 0.00 C ATOM 936 C THR B 12 102.532 71.068 44.662 1.00 0.00 C ATOM 937 O THR B 12 102.079 70.060 45.169 1.00 0.00 O ATOM 938 CB THR B 12 103.063 73.270 45.753 1.00 0.00 C ATOM 939 OG1 THR B 12 104.105 74.052 46.317 1.00 0.00 O ATOM 940 CG2 THR B 12 101.937 73.103 46.776 1.00 0.00 C ATOM 0 H THR B 12 104.888 73.166 44.218 1.00 0.00 H new ATOM 0 HA THR B 12 103.933 71.325 46.235 1.00 0.00 H new ATOM 0 HB THR B 12 102.674 73.769 44.866 1.00 0.00 H new ATOM 0 HG1 THR B 12 103.755 74.933 46.565 1.00 0.00 H new ATOM 0 HG21 THR B 12 101.548 74.083 47.052 1.00 0.00 H new ATOM 0 HG22 THR B 12 101.136 72.504 46.341 1.00 0.00 H new ATOM 0 HG23 THR B 12 102.323 72.602 47.664 1.00 0.00 H new ATOM 948 N GLU B 13 102.118 71.487 43.500 1.00 0.00 N ATOM 949 CA GLU B 13 101.069 70.728 42.760 1.00 0.00 C ATOM 950 C GLU B 13 101.494 69.267 42.587 1.00 0.00 C ATOM 951 O GLU B 13 100.746 68.355 42.878 1.00 0.00 O ATOM 952 CB GLU B 13 100.968 71.421 41.401 1.00 0.00 C ATOM 953 CG GLU B 13 99.873 70.755 40.567 1.00 0.00 C ATOM 954 CD GLU B 13 99.680 71.533 39.263 1.00 0.00 C ATOM 955 OE1 GLU B 13 100.656 72.071 38.768 1.00 0.00 O ATOM 956 OE2 GLU B 13 98.559 71.576 38.783 1.00 0.00 O ATOM 0 H GLU B 13 102.461 72.324 43.028 1.00 0.00 H new ATOM 0 HA GLU B 13 100.115 70.719 43.287 1.00 0.00 H new ATOM 0 HB2 GLU B 13 100.743 72.479 41.537 1.00 0.00 H new ATOM 0 HB3 GLU B 13 101.923 71.362 40.879 1.00 0.00 H new ATOM 0 HG2 GLU B 13 100.144 69.722 40.350 1.00 0.00 H new ATOM 0 HG3 GLU B 13 98.939 70.728 41.128 1.00 0.00 H new ATOM 963 N LEU B 14 102.689 69.039 42.114 1.00 0.00 N ATOM 964 CA LEU B 14 103.158 67.637 41.922 1.00 0.00 C ATOM 965 C LEU B 14 103.244 66.917 43.271 1.00 0.00 C ATOM 966 O LEU B 14 102.732 65.828 43.437 1.00 0.00 O ATOM 967 CB LEU B 14 104.546 67.764 41.293 1.00 0.00 C ATOM 968 CG LEU B 14 104.582 66.988 39.975 1.00 0.00 C ATOM 969 CD1 LEU B 14 103.737 67.720 38.931 1.00 0.00 C ATOM 970 CD2 LEU B 14 106.026 66.889 39.480 1.00 0.00 C ATOM 0 H LEU B 14 103.360 69.762 41.853 1.00 0.00 H new ATOM 0 HA LEU B 14 102.479 67.058 41.296 1.00 0.00 H new ATOM 0 HB2 LEU B 14 104.782 68.813 41.116 1.00 0.00 H new ATOM 0 HB3 LEU B 14 105.303 67.378 41.976 1.00 0.00 H new ATOM 0 HG LEU B 14 104.182 65.986 40.132 1.00 0.00 H new ATOM 0 HD11 LEU B 14 103.762 67.168 37.991 1.00 0.00 H new ATOM 0 HD12 LEU B 14 102.708 67.793 39.282 1.00 0.00 H new ATOM 0 HD13 LEU B 14 104.139 68.721 38.775 1.00 0.00 H new ATOM 0 HD21 LEU B 14 106.052 66.336 38.541 1.00 0.00 H new ATOM 0 HD22 LEU B 14 106.426 67.891 39.322 1.00 0.00 H new ATOM 0 HD23 LEU B 14 106.631 66.370 40.223 1.00 0.00 H new ATOM 982 N LEU B 15 103.886 67.517 44.236 1.00 0.00 N ATOM 983 CA LEU B 15 103.999 66.861 45.571 1.00 0.00 C ATOM 984 C LEU B 15 102.609 66.529 46.115 1.00 0.00 C ATOM 985 O LEU B 15 102.331 65.406 46.487 1.00 0.00 O ATOM 986 CB LEU B 15 104.697 67.887 46.464 1.00 0.00 C ATOM 987 CG LEU B 15 106.149 67.465 46.692 1.00 0.00 C ATOM 988 CD1 LEU B 15 106.181 66.092 47.367 1.00 0.00 C ATOM 989 CD2 LEU B 15 106.876 67.387 45.347 1.00 0.00 C ATOM 0 H LEU B 15 104.336 68.429 44.159 1.00 0.00 H new ATOM 0 HA LEU B 15 104.553 65.924 45.524 1.00 0.00 H new ATOM 0 HB2 LEU B 15 104.663 68.872 45.999 1.00 0.00 H new ATOM 0 HB3 LEU B 15 104.177 67.967 47.418 1.00 0.00 H new ATOM 0 HG LEU B 15 106.643 68.197 47.331 1.00 0.00 H new ATOM 0 HD11 LEU B 15 107.216 65.791 47.530 1.00 0.00 H new ATOM 0 HD12 LEU B 15 105.664 66.145 48.325 1.00 0.00 H new ATOM 0 HD13 LEU B 15 105.686 65.361 46.728 1.00 0.00 H new ATOM 0 HD21 LEU B 15 107.911 67.086 45.510 1.00 0.00 H new ATOM 0 HD22 LEU B 15 106.382 66.655 44.708 1.00 0.00 H new ATOM 0 HD23 LEU B 15 106.854 68.364 44.864 1.00 0.00 H new ATOM 1001 N GLN B 16 101.727 67.494 46.161 1.00 0.00 N ATOM 1002 CA GLN B 16 100.353 67.220 46.676 1.00 0.00 C ATOM 1003 C GLN B 16 99.755 66.016 45.946 1.00 0.00 C ATOM 1004 O GLN B 16 99.018 65.235 46.515 1.00 0.00 O ATOM 1005 CB GLN B 16 99.552 68.488 46.374 1.00 0.00 C ATOM 1006 CG GLN B 16 98.732 68.878 47.605 1.00 0.00 C ATOM 1007 CD GLN B 16 97.530 69.720 47.175 1.00 0.00 C ATOM 1008 OE1 GLN B 16 96.401 69.381 47.466 1.00 0.00 O ATOM 1009 NE2 GLN B 16 97.727 70.813 46.488 1.00 0.00 N ATOM 0 H GLN B 16 101.898 68.455 45.866 1.00 0.00 H new ATOM 0 HA GLN B 16 100.347 66.985 47.740 1.00 0.00 H new ATOM 0 HB2 GLN B 16 100.226 69.300 46.100 1.00 0.00 H new ATOM 0 HB3 GLN B 16 98.892 68.320 45.523 1.00 0.00 H new ATOM 0 HG2 GLN B 16 98.394 67.983 48.128 1.00 0.00 H new ATOM 0 HG3 GLN B 16 99.351 69.440 48.304 1.00 0.00 H new ATOM 0 HE21 GLN B 16 98.675 71.098 46.244 1.00 0.00 H new ATOM 0 HE22 GLN B 16 96.932 71.382 46.196 1.00 0.00 H new ATOM 1018 N GLY B 17 100.078 65.854 44.692 1.00 0.00 N ATOM 1019 CA GLY B 17 99.539 64.694 43.931 1.00 0.00 C ATOM 1020 C GLY B 17 99.943 63.404 44.644 1.00 0.00 C ATOM 1021 O GLY B 17 99.111 62.594 45.000 1.00 0.00 O ATOM 0 H GLY B 17 100.691 66.474 44.163 1.00 0.00 H new ATOM 0 HA2 GLY B 17 98.453 64.761 43.860 1.00 0.00 H new ATOM 0 HA3 GLY B 17 99.926 64.699 42.912 1.00 0.00 H new ATOM 1025 N TYR B 18 101.217 63.214 44.865 1.00 0.00 N ATOM 1026 CA TYR B 18 101.684 61.983 45.565 1.00 0.00 C ATOM 1027 C TYR B 18 100.883 61.764 46.850 1.00 0.00 C ATOM 1028 O TYR B 18 100.441 60.670 47.141 1.00 0.00 O ATOM 1029 CB TYR B 18 103.151 62.259 45.895 1.00 0.00 C ATOM 1030 CG TYR B 18 103.940 60.982 45.770 1.00 0.00 C ATOM 1031 CD1 TYR B 18 103.831 60.199 44.601 1.00 0.00 C ATOM 1032 CD2 TYR B 18 104.785 60.568 46.823 1.00 0.00 C ATOM 1033 CE1 TYR B 18 104.569 59.000 44.483 1.00 0.00 C ATOM 1034 CE2 TYR B 18 105.524 59.371 46.706 1.00 0.00 C ATOM 1035 CZ TYR B 18 105.415 58.586 45.537 1.00 0.00 C ATOM 1036 OH TYR B 18 106.137 57.416 45.424 1.00 0.00 O ATOM 0 H TYR B 18 101.956 63.861 44.590 1.00 0.00 H new ATOM 0 HA TYR B 18 101.557 61.088 44.957 1.00 0.00 H new ATOM 0 HB2 TYR B 18 103.551 63.015 45.219 1.00 0.00 H new ATOM 0 HB3 TYR B 18 103.239 62.657 46.906 1.00 0.00 H new ATOM 0 HD1 TYR B 18 103.184 60.516 43.797 1.00 0.00 H new ATOM 0 HD2 TYR B 18 104.866 61.167 47.718 1.00 0.00 H new ATOM 0 HE1 TYR B 18 104.487 58.400 43.588 1.00 0.00 H new ATOM 0 HE2 TYR B 18 106.172 59.056 47.510 1.00 0.00 H new ATOM 0 HH TYR B 18 105.625 56.765 44.900 1.00 0.00 H new ATOM 1046 N THR B 19 100.694 62.800 47.619 1.00 0.00 N ATOM 1047 CA THR B 19 99.923 62.659 48.885 1.00 0.00 C ATOM 1048 C THR B 19 98.510 62.146 48.586 1.00 0.00 C ATOM 1049 O THR B 19 97.942 61.383 49.343 1.00 0.00 O ATOM 1050 CB THR B 19 99.873 64.072 49.467 1.00 0.00 C ATOM 1051 OG1 THR B 19 101.199 64.545 49.669 1.00 0.00 O ATOM 1052 CG2 THR B 19 99.128 64.059 50.801 1.00 0.00 C ATOM 0 H THR B 19 101.041 63.739 47.425 1.00 0.00 H new ATOM 0 HA THR B 19 100.377 61.948 49.576 1.00 0.00 H new ATOM 0 HB THR B 19 99.350 64.729 48.772 1.00 0.00 H new ATOM 0 HG1 THR B 19 101.170 65.451 50.040 1.00 0.00 H new ATOM 0 HG21 THR B 19 99.096 65.069 51.210 1.00 0.00 H new ATOM 0 HG22 THR B 19 98.111 63.698 50.646 1.00 0.00 H new ATOM 0 HG23 THR B 19 99.644 63.401 51.500 1.00 0.00 H new ATOM 1060 N VAL B 20 97.940 62.560 47.488 1.00 0.00 N ATOM 1061 CA VAL B 20 96.564 62.100 47.139 1.00 0.00 C ATOM 1062 C VAL B 20 96.601 60.668 46.595 1.00 0.00 C ATOM 1063 O VAL B 20 95.641 59.931 46.701 1.00 0.00 O ATOM 1064 CB VAL B 20 96.088 63.073 46.060 1.00 0.00 C ATOM 1065 CG1 VAL B 20 94.697 62.659 45.575 1.00 0.00 C ATOM 1066 CG2 VAL B 20 96.023 64.486 46.642 1.00 0.00 C ATOM 0 H VAL B 20 98.367 63.198 46.816 1.00 0.00 H new ATOM 0 HA VAL B 20 95.900 62.089 48.003 1.00 0.00 H new ATOM 0 HB VAL B 20 96.785 63.055 45.222 1.00 0.00 H new ATOM 0 HG11 VAL B 20 94.358 63.353 44.806 1.00 0.00 H new ATOM 0 HG12 VAL B 20 94.741 61.652 45.161 1.00 0.00 H new ATOM 0 HG13 VAL B 20 93.999 62.677 46.412 1.00 0.00 H new ATOM 0 HG21 VAL B 20 95.684 65.181 45.874 1.00 0.00 H new ATOM 0 HG22 VAL B 20 95.326 64.503 47.480 1.00 0.00 H new ATOM 0 HG23 VAL B 20 97.013 64.783 46.988 1.00 0.00 H new ATOM 1076 N GLU B 21 97.699 60.266 46.015 1.00 0.00 N ATOM 1077 CA GLU B 21 97.782 58.874 45.470 1.00 0.00 C ATOM 1078 C GLU B 21 98.196 57.919 46.584 1.00 0.00 C ATOM 1079 O GLU B 21 97.460 57.036 46.976 1.00 0.00 O ATOM 1080 CB GLU B 21 98.867 58.866 44.372 1.00 0.00 C ATOM 1081 CG GLU B 21 98.980 60.226 43.675 1.00 0.00 C ATOM 1082 CD GLU B 21 99.172 60.017 42.172 1.00 0.00 C ATOM 1083 OE1 GLU B 21 98.504 59.157 41.623 1.00 0.00 O ATOM 1084 OE2 GLU B 21 99.983 60.723 41.595 1.00 0.00 O ATOM 0 H GLU B 21 98.538 60.833 45.894 1.00 0.00 H new ATOM 0 HA GLU B 21 96.818 58.561 45.068 1.00 0.00 H new ATOM 0 HB2 GLU B 21 99.828 58.602 44.813 1.00 0.00 H new ATOM 0 HB3 GLU B 21 98.633 58.098 43.635 1.00 0.00 H new ATOM 0 HG2 GLU B 21 98.082 60.816 43.859 1.00 0.00 H new ATOM 0 HG3 GLU B 21 99.820 60.787 44.085 1.00 0.00 H new ATOM 1091 N VAL B 22 99.381 58.098 47.092 1.00 0.00 N ATOM 1092 CA VAL B 22 99.878 57.213 48.182 1.00 0.00 C ATOM 1093 C VAL B 22 98.843 57.122 49.307 1.00 0.00 C ATOM 1094 O VAL B 22 98.795 56.156 50.042 1.00 0.00 O ATOM 1095 CB VAL B 22 101.158 57.886 48.680 1.00 0.00 C ATOM 1096 CG1 VAL B 22 101.827 56.994 49.718 1.00 0.00 C ATOM 1097 CG2 VAL B 22 102.119 58.098 47.508 1.00 0.00 C ATOM 0 H VAL B 22 100.033 58.825 46.797 1.00 0.00 H new ATOM 0 HA VAL B 22 100.058 56.194 47.839 1.00 0.00 H new ATOM 0 HB VAL B 22 100.908 58.849 49.125 1.00 0.00 H new ATOM 0 HG11 VAL B 22 102.740 57.472 50.074 1.00 0.00 H new ATOM 0 HG12 VAL B 22 101.148 56.839 50.556 1.00 0.00 H new ATOM 0 HG13 VAL B 22 102.073 56.033 49.267 1.00 0.00 H new ATOM 0 HG21 VAL B 22 103.030 58.578 47.866 1.00 0.00 H new ATOM 0 HG22 VAL B 22 102.367 57.135 47.062 1.00 0.00 H new ATOM 0 HG23 VAL B 22 101.645 58.733 46.759 1.00 0.00 H new ATOM 1107 N LEU B 23 98.013 58.119 49.446 1.00 0.00 N ATOM 1108 CA LEU B 23 96.983 58.083 50.523 1.00 0.00 C ATOM 1109 C LEU B 23 95.711 57.398 50.013 1.00 0.00 C ATOM 1110 O LEU B 23 94.941 56.854 50.778 1.00 0.00 O ATOM 1111 CB LEU B 23 96.706 59.548 50.859 1.00 0.00 C ATOM 1112 CG LEU B 23 95.665 59.628 51.977 1.00 0.00 C ATOM 1113 CD1 LEU B 23 96.325 59.289 53.315 1.00 0.00 C ATOM 1114 CD2 LEU B 23 95.091 61.045 52.037 1.00 0.00 C ATOM 0 H LEU B 23 98.003 58.955 48.862 1.00 0.00 H new ATOM 0 HA LEU B 23 97.318 57.523 51.396 1.00 0.00 H new ATOM 0 HB2 LEU B 23 97.627 60.041 51.170 1.00 0.00 H new ATOM 0 HB3 LEU B 23 96.346 60.073 49.974 1.00 0.00 H new ATOM 0 HG LEU B 23 94.863 58.918 51.778 1.00 0.00 H new ATOM 0 HD11 LEU B 23 95.583 59.346 54.111 1.00 0.00 H new ATOM 0 HD12 LEU B 23 96.735 58.280 53.273 1.00 0.00 H new ATOM 0 HD13 LEU B 23 97.127 59.999 53.515 1.00 0.00 H new ATOM 0 HD21 LEU B 23 94.349 61.104 52.833 1.00 0.00 H new ATOM 0 HD22 LEU B 23 95.894 61.755 52.236 1.00 0.00 H new ATOM 0 HD23 LEU B 23 94.621 61.288 51.084 1.00 0.00 H new ATOM 1126 N ARG B 24 95.482 57.423 48.728 1.00 0.00 N ATOM 1127 CA ARG B 24 94.257 56.774 48.178 1.00 0.00 C ATOM 1128 C ARG B 24 94.515 55.288 47.901 1.00 0.00 C ATOM 1129 O ARG B 24 93.820 54.427 48.401 1.00 0.00 O ATOM 1130 CB ARG B 24 93.962 57.520 46.875 1.00 0.00 C ATOM 1131 CG ARG B 24 92.609 57.066 46.322 1.00 0.00 C ATOM 1132 CD ARG B 24 91.615 58.227 46.381 1.00 0.00 C ATOM 1133 NE ARG B 24 90.304 57.630 46.005 1.00 0.00 N ATOM 1134 CZ ARG B 24 89.193 58.244 46.311 1.00 0.00 C ATOM 1135 NH1 ARG B 24 88.910 58.499 47.559 1.00 0.00 N ATOM 1136 NH2 ARG B 24 88.365 58.606 45.368 1.00 0.00 N ATOM 0 H ARG B 24 96.089 57.864 48.036 1.00 0.00 H new ATOM 0 HA ARG B 24 93.420 56.823 48.875 1.00 0.00 H new ATOM 0 HB2 ARG B 24 93.952 58.595 47.053 1.00 0.00 H new ATOM 0 HB3 ARG B 24 94.749 57.325 46.146 1.00 0.00 H new ATOM 0 HG2 ARG B 24 92.722 56.722 45.294 1.00 0.00 H new ATOM 0 HG3 ARG B 24 92.233 56.222 46.901 1.00 0.00 H new ATOM 0 HD2 ARG B 24 91.578 58.665 47.379 1.00 0.00 H new ATOM 0 HD3 ARG B 24 91.898 59.024 45.693 1.00 0.00 H new ATOM 0 HE ARG B 24 90.274 56.740 45.508 1.00 0.00 H new ATOM 0 HH11 ARG B 24 89.557 58.219 48.296 1.00 0.00 H new ATOM 0 HH12 ARG B 24 88.042 58.979 47.797 1.00 0.00 H new ATOM 0 HH21 ARG B 24 88.586 58.409 44.392 1.00 0.00 H new ATOM 0 HH22 ARG B 24 87.497 59.086 45.608 1.00 0.00 H new ATOM 1150 N GLN B 25 95.507 54.980 47.107 1.00 0.00 N ATOM 1151 CA GLN B 25 95.795 53.548 46.804 1.00 0.00 C ATOM 1152 C GLN B 25 96.691 52.938 47.886 1.00 0.00 C ATOM 1153 O GLN B 25 96.663 51.747 48.126 1.00 0.00 O ATOM 1154 CB GLN B 25 96.510 53.558 45.449 1.00 0.00 C ATOM 1155 CG GLN B 25 97.805 54.367 45.547 1.00 0.00 C ATOM 1156 CD GLN B 25 98.714 54.019 44.367 1.00 0.00 C ATOM 1157 OE1 GLN B 25 98.987 54.854 43.528 1.00 0.00 O ATOM 1158 NE2 GLN B 25 99.199 52.811 44.267 1.00 0.00 N ATOM 0 H GLN B 25 96.127 55.654 46.658 1.00 0.00 H new ATOM 0 HA GLN B 25 94.886 52.947 46.777 1.00 0.00 H new ATOM 0 HB2 GLN B 25 96.732 52.537 45.138 1.00 0.00 H new ATOM 0 HB3 GLN B 25 95.859 53.989 44.688 1.00 0.00 H new ATOM 0 HG2 GLN B 25 97.581 55.434 45.545 1.00 0.00 H new ATOM 0 HG3 GLN B 25 98.312 54.149 46.487 1.00 0.00 H new ATOM 0 HE21 GLN B 25 98.970 52.110 44.971 1.00 0.00 H new ATOM 0 HE22 GLN B 25 99.807 52.569 43.485 1.00 0.00 H new ATOM 1167 N GLN B 26 97.486 53.742 48.542 1.00 0.00 N ATOM 1168 CA GLN B 26 98.386 53.208 49.611 1.00 0.00 C ATOM 1169 C GLN B 26 99.135 51.961 49.112 1.00 0.00 C ATOM 1170 O GLN B 26 98.745 50.850 49.410 1.00 0.00 O ATOM 1171 CB GLN B 26 97.453 52.846 50.767 1.00 0.00 C ATOM 1172 CG GLN B 26 97.873 53.615 52.020 1.00 0.00 C ATOM 1173 CD GLN B 26 97.053 53.129 53.218 1.00 0.00 C ATOM 1174 OE1 GLN B 26 97.217 52.011 53.667 1.00 0.00 O ATOM 1175 NE2 GLN B 26 96.172 53.926 53.756 1.00 0.00 N ATOM 0 H GLN B 26 97.552 54.748 48.384 1.00 0.00 H new ATOM 0 HA GLN B 26 99.145 53.932 49.908 1.00 0.00 H new ATOM 0 HB2 GLN B 26 96.423 53.088 50.507 1.00 0.00 H new ATOM 0 HB3 GLN B 26 97.490 51.773 50.956 1.00 0.00 H new ATOM 0 HG2 GLN B 26 98.936 53.468 52.210 1.00 0.00 H new ATOM 0 HG3 GLN B 26 97.721 54.684 51.871 1.00 0.00 H new ATOM 0 HE21 GLN B 26 96.035 54.864 53.379 1.00 0.00 H new ATOM 0 HE22 GLN B 26 95.620 53.612 54.554 1.00 0.00 H new ATOM 1184 N PRO B 27 100.189 52.188 48.367 1.00 0.00 N ATOM 1185 CA PRO B 27 100.989 51.061 47.829 1.00 0.00 C ATOM 1186 C PRO B 27 101.785 50.381 48.951 1.00 0.00 C ATOM 1187 O PRO B 27 101.982 50.957 50.002 1.00 0.00 O ATOM 1188 CB PRO B 27 101.926 51.731 46.827 1.00 0.00 C ATOM 1189 CG PRO B 27 102.036 53.147 47.291 1.00 0.00 C ATOM 1190 CD PRO B 27 100.731 53.490 47.960 1.00 0.00 C ATOM 0 HA PRO B 27 100.377 50.281 47.377 1.00 0.00 H new ATOM 0 HB2 PRO B 27 102.901 51.244 46.811 1.00 0.00 H new ATOM 0 HB3 PRO B 27 101.526 51.677 45.815 1.00 0.00 H new ATOM 0 HG2 PRO B 27 102.868 53.262 47.986 1.00 0.00 H new ATOM 0 HG3 PRO B 27 102.227 53.815 46.451 1.00 0.00 H new ATOM 0 HD2 PRO B 27 100.882 54.145 48.818 1.00 0.00 H new ATOM 0 HD3 PRO B 27 100.057 54.008 47.278 1.00 0.00 H new ATOM 1198 N PRO B 28 102.223 49.173 48.691 1.00 0.00 N ATOM 1199 CA PRO B 28 103.007 48.418 49.700 1.00 0.00 C ATOM 1200 C PRO B 28 104.402 49.029 49.851 1.00 0.00 C ATOM 1201 O PRO B 28 104.957 49.078 50.930 1.00 0.00 O ATOM 1202 CB PRO B 28 103.086 47.010 49.115 1.00 0.00 C ATOM 1203 CG PRO B 28 102.914 47.195 47.642 1.00 0.00 C ATOM 1204 CD PRO B 28 102.033 48.402 47.455 1.00 0.00 C ATOM 0 HA PRO B 28 102.559 48.433 50.693 1.00 0.00 H new ATOM 0 HB2 PRO B 28 104.042 46.540 49.345 1.00 0.00 H new ATOM 0 HB3 PRO B 28 102.308 46.367 49.526 1.00 0.00 H new ATOM 0 HG2 PRO B 28 103.878 47.341 47.156 1.00 0.00 H new ATOM 0 HG3 PRO B 28 102.461 46.312 47.192 1.00 0.00 H new ATOM 0 HD2 PRO B 28 102.325 48.977 46.576 1.00 0.00 H new ATOM 0 HD3 PRO B 28 100.990 48.118 47.318 1.00 0.00 H new ATOM 1212 N ASP B 29 104.970 49.501 48.775 1.00 0.00 N ATOM 1213 CA ASP B 29 106.326 50.115 48.853 1.00 0.00 C ATOM 1214 C ASP B 29 106.322 51.482 48.165 1.00 0.00 C ATOM 1215 O ASP B 29 106.143 51.586 46.967 1.00 0.00 O ATOM 1216 CB ASP B 29 107.248 49.145 48.116 1.00 0.00 C ATOM 1217 CG ASP B 29 107.235 47.790 48.826 1.00 0.00 C ATOM 1218 OD1 ASP B 29 107.110 47.781 50.040 1.00 0.00 O ATOM 1219 OD2 ASP B 29 107.351 46.784 48.145 1.00 0.00 O ATOM 0 H ASP B 29 104.553 49.488 47.844 1.00 0.00 H new ATOM 0 HA ASP B 29 106.649 50.276 49.882 1.00 0.00 H new ATOM 0 HB2 ASP B 29 106.921 49.029 47.083 1.00 0.00 H new ATOM 0 HB3 ASP B 29 108.263 49.542 48.086 1.00 0.00 H new ATOM 1224 N LEU B 30 106.513 52.532 48.913 1.00 0.00 N ATOM 1225 CA LEU B 30 106.517 53.893 48.306 1.00 0.00 C ATOM 1226 C LEU B 30 107.729 54.063 47.387 1.00 0.00 C ATOM 1227 O LEU B 30 107.651 54.698 46.354 1.00 0.00 O ATOM 1228 CB LEU B 30 106.605 54.852 49.495 1.00 0.00 C ATOM 1229 CG LEU B 30 106.627 56.294 48.991 1.00 0.00 C ATOM 1230 CD1 LEU B 30 105.204 56.855 48.986 1.00 0.00 C ATOM 1231 CD2 LEU B 30 107.505 57.141 49.915 1.00 0.00 C ATOM 0 H LEU B 30 106.667 52.507 49.921 1.00 0.00 H new ATOM 0 HA LEU B 30 105.632 54.076 47.696 1.00 0.00 H new ATOM 0 HB2 LEU B 30 105.754 54.702 50.160 1.00 0.00 H new ATOM 0 HB3 LEU B 30 107.504 54.646 50.076 1.00 0.00 H new ATOM 0 HG LEU B 30 107.031 56.320 47.979 1.00 0.00 H new ATOM 0 HD11 LEU B 30 105.220 57.884 48.626 1.00 0.00 H new ATOM 0 HD12 LEU B 30 104.577 56.251 48.330 1.00 0.00 H new ATOM 0 HD13 LEU B 30 104.800 56.831 49.998 1.00 0.00 H new ATOM 0 HD21 LEU B 30 107.522 58.171 49.557 1.00 0.00 H new ATOM 0 HD22 LEU B 30 107.100 57.115 50.927 1.00 0.00 H new ATOM 0 HD23 LEU B 30 108.519 56.742 49.920 1.00 0.00 H new ATOM 1243 N VAL B 31 108.848 53.498 47.752 1.00 0.00 N ATOM 1244 CA VAL B 31 110.063 53.626 46.892 1.00 0.00 C ATOM 1245 C VAL B 31 109.732 53.231 45.454 1.00 0.00 C ATOM 1246 O VAL B 31 109.769 54.040 44.548 1.00 0.00 O ATOM 1247 CB VAL B 31 111.075 52.650 47.485 1.00 0.00 C ATOM 1248 CG1 VAL B 31 112.402 52.772 46.735 1.00 0.00 C ATOM 1249 CG2 VAL B 31 111.293 52.978 48.963 1.00 0.00 C ATOM 0 H VAL B 31 108.975 52.954 48.606 1.00 0.00 H new ATOM 0 HA VAL B 31 110.444 54.647 46.868 1.00 0.00 H new ATOM 0 HB VAL B 31 110.697 51.632 47.390 1.00 0.00 H new ATOM 0 HG11 VAL B 31 113.125 52.075 47.159 1.00 0.00 H new ATOM 0 HG12 VAL B 31 112.247 52.539 45.682 1.00 0.00 H new ATOM 0 HG13 VAL B 31 112.781 53.790 46.829 1.00 0.00 H new ATOM 0 HG21 VAL B 31 112.016 52.281 49.388 1.00 0.00 H new ATOM 0 HG22 VAL B 31 111.671 53.996 49.058 1.00 0.00 H new ATOM 0 HG23 VAL B 31 110.348 52.891 49.498 1.00 0.00 H new ATOM 1259 N ASP B 32 109.405 51.988 45.242 1.00 0.00 N ATOM 1260 CA ASP B 32 109.066 51.528 43.870 1.00 0.00 C ATOM 1261 C ASP B 32 107.953 52.402 43.287 1.00 0.00 C ATOM 1262 O ASP B 32 107.979 52.766 42.128 1.00 0.00 O ATOM 1263 CB ASP B 32 108.592 50.088 44.055 1.00 0.00 C ATOM 1264 CG ASP B 32 109.218 49.200 42.980 1.00 0.00 C ATOM 1265 OD1 ASP B 32 109.238 49.616 41.832 1.00 0.00 O ATOM 1266 OD2 ASP B 32 109.669 48.119 43.320 1.00 0.00 O ATOM 0 H ASP B 32 109.358 51.269 45.964 1.00 0.00 H new ATOM 0 HA ASP B 32 109.908 51.593 43.180 1.00 0.00 H new ATOM 0 HB2 ASP B 32 108.869 49.728 45.046 1.00 0.00 H new ATOM 0 HB3 ASP B 32 107.505 50.041 43.992 1.00 0.00 H new ATOM 1271 N PHE B 33 106.979 52.750 44.084 1.00 0.00 N ATOM 1272 CA PHE B 33 105.874 53.609 43.573 1.00 0.00 C ATOM 1273 C PHE B 33 106.439 54.948 43.094 1.00 0.00 C ATOM 1274 O PHE B 33 106.120 55.423 42.022 1.00 0.00 O ATOM 1275 CB PHE B 33 104.941 53.815 44.767 1.00 0.00 C ATOM 1276 CG PHE B 33 103.740 54.617 44.330 1.00 0.00 C ATOM 1277 CD1 PHE B 33 102.817 54.063 43.413 1.00 0.00 C ATOM 1278 CD2 PHE B 33 103.540 55.922 44.831 1.00 0.00 C ATOM 1279 CE1 PHE B 33 101.694 54.815 43.000 1.00 0.00 C ATOM 1280 CE2 PHE B 33 102.418 56.675 44.416 1.00 0.00 C ATOM 1281 CZ PHE B 33 101.496 56.121 43.501 1.00 0.00 C ATOM 0 H PHE B 33 106.901 52.477 45.064 1.00 0.00 H new ATOM 0 HA PHE B 33 105.353 53.158 42.729 1.00 0.00 H new ATOM 0 HB2 PHE B 33 104.624 52.851 45.165 1.00 0.00 H new ATOM 0 HB3 PHE B 33 105.467 54.334 45.569 1.00 0.00 H new ATOM 0 HD1 PHE B 33 102.970 53.066 43.028 1.00 0.00 H new ATOM 0 HD2 PHE B 33 104.245 56.345 45.532 1.00 0.00 H new ATOM 0 HE1 PHE B 33 100.987 54.391 42.302 1.00 0.00 H new ATOM 0 HE2 PHE B 33 102.266 57.673 44.799 1.00 0.00 H new ATOM 0 HZ PHE B 33 100.639 56.696 43.184 1.00 0.00 H new ATOM 1291 N ALA B 34 107.281 55.560 43.883 1.00 0.00 N ATOM 1292 CA ALA B 34 107.874 56.866 43.478 1.00 0.00 C ATOM 1293 C ALA B 34 108.605 56.724 42.141 1.00 0.00 C ATOM 1294 O ALA B 34 108.474 57.551 41.260 1.00 0.00 O ATOM 1295 CB ALA B 34 108.857 57.215 44.595 1.00 0.00 C ATOM 0 H ALA B 34 107.584 55.211 44.792 1.00 0.00 H new ATOM 0 HA ALA B 34 107.118 57.640 43.343 1.00 0.00 H new ATOM 0 HB1 ALA B 34 109.338 58.167 44.372 1.00 0.00 H new ATOM 0 HB2 ALA B 34 108.321 57.292 45.541 1.00 0.00 H new ATOM 0 HB3 ALA B 34 109.614 56.435 44.670 1.00 0.00 H new ATOM 1301 N VAL B 35 109.372 55.680 41.980 1.00 0.00 N ATOM 1302 CA VAL B 35 110.107 55.485 40.703 1.00 0.00 C ATOM 1303 C VAL B 35 109.125 55.139 39.582 1.00 0.00 C ATOM 1304 O VAL B 35 109.309 55.519 38.442 1.00 0.00 O ATOM 1305 CB VAL B 35 111.047 54.315 40.981 1.00 0.00 C ATOM 1306 CG1 VAL B 35 111.800 53.955 39.704 1.00 0.00 C ATOM 1307 CG2 VAL B 35 112.046 54.711 42.067 1.00 0.00 C ATOM 0 H VAL B 35 109.520 54.954 42.681 1.00 0.00 H new ATOM 0 HA VAL B 35 110.646 56.377 40.383 1.00 0.00 H new ATOM 0 HB VAL B 35 110.468 53.455 41.317 1.00 0.00 H new ATOM 0 HG11 VAL B 35 112.472 53.120 39.901 1.00 0.00 H new ATOM 0 HG12 VAL B 35 111.088 53.673 38.929 1.00 0.00 H new ATOM 0 HG13 VAL B 35 112.379 54.815 39.369 1.00 0.00 H new ATOM 0 HG21 VAL B 35 112.717 53.876 42.266 1.00 0.00 H new ATOM 0 HG22 VAL B 35 112.626 55.571 41.732 1.00 0.00 H new ATOM 0 HG23 VAL B 35 111.508 54.969 42.979 1.00 0.00 H new ATOM 1317 N GLU B 36 108.084 54.421 39.898 1.00 0.00 N ATOM 1318 CA GLU B 36 107.086 54.046 38.862 1.00 0.00 C ATOM 1319 C GLU B 36 106.138 55.228 38.602 1.00 0.00 C ATOM 1320 O GLU B 36 105.593 55.372 37.525 1.00 0.00 O ATOM 1321 CB GLU B 36 106.355 52.841 39.480 1.00 0.00 C ATOM 1322 CG GLU B 36 104.980 52.647 38.838 1.00 0.00 C ATOM 1323 CD GLU B 36 104.784 51.171 38.482 1.00 0.00 C ATOM 1324 OE1 GLU B 36 105.282 50.761 37.447 1.00 0.00 O ATOM 1325 OE2 GLU B 36 104.138 50.479 39.250 1.00 0.00 O ATOM 0 H GLU B 36 107.882 54.076 40.836 1.00 0.00 H new ATOM 0 HA GLU B 36 107.523 53.798 37.895 1.00 0.00 H new ATOM 0 HB2 GLU B 36 106.954 51.940 39.346 1.00 0.00 H new ATOM 0 HB3 GLU B 36 106.241 52.991 40.554 1.00 0.00 H new ATOM 0 HG2 GLU B 36 104.198 52.973 39.524 1.00 0.00 H new ATOM 0 HG3 GLU B 36 104.896 53.262 37.942 1.00 0.00 H new ATOM 1332 N TYR B 37 105.939 56.071 39.576 1.00 0.00 N ATOM 1333 CA TYR B 37 105.029 57.236 39.378 1.00 0.00 C ATOM 1334 C TYR B 37 105.723 58.320 38.547 1.00 0.00 C ATOM 1335 O TYR B 37 105.352 58.587 37.422 1.00 0.00 O ATOM 1336 CB TYR B 37 104.726 57.748 40.788 1.00 0.00 C ATOM 1337 CG TYR B 37 103.906 59.016 40.702 1.00 0.00 C ATOM 1338 CD1 TYR B 37 102.799 59.083 39.827 1.00 0.00 C ATOM 1339 CD2 TYR B 37 104.248 60.134 41.495 1.00 0.00 C ATOM 1340 CE1 TYR B 37 102.034 60.268 39.744 1.00 0.00 C ATOM 1341 CE2 TYR B 37 103.485 61.319 41.411 1.00 0.00 C ATOM 1342 CZ TYR B 37 102.377 61.386 40.537 1.00 0.00 C ATOM 1343 OH TYR B 37 101.632 62.545 40.454 1.00 0.00 O ATOM 0 H TYR B 37 106.366 56.005 40.500 1.00 0.00 H new ATOM 0 HA TYR B 37 104.121 56.962 38.841 1.00 0.00 H new ATOM 0 HB2 TYR B 37 104.183 56.990 41.352 1.00 0.00 H new ATOM 0 HB3 TYR B 37 105.656 57.940 41.324 1.00 0.00 H new ATOM 0 HD1 TYR B 37 102.537 58.228 39.221 1.00 0.00 H new ATOM 0 HD2 TYR B 37 105.093 60.082 42.165 1.00 0.00 H new ATOM 0 HE1 TYR B 37 101.188 60.319 39.075 1.00 0.00 H new ATOM 0 HE2 TYR B 37 103.748 62.175 42.015 1.00 0.00 H new ATOM 0 HH TYR B 37 100.786 62.425 40.934 1.00 0.00 H new ATOM 1353 N PHE B 38 106.723 58.952 39.098 1.00 0.00 N ATOM 1354 CA PHE B 38 107.435 60.025 38.347 1.00 0.00 C ATOM 1355 C PHE B 38 107.868 59.522 36.966 1.00 0.00 C ATOM 1356 O PHE B 38 107.617 60.156 35.960 1.00 0.00 O ATOM 1357 CB PHE B 38 108.652 60.367 39.205 1.00 0.00 C ATOM 1358 CG PHE B 38 108.222 61.253 40.349 1.00 0.00 C ATOM 1359 CD1 PHE B 38 107.478 62.426 40.092 1.00 0.00 C ATOM 1360 CD2 PHE B 38 108.560 60.908 41.677 1.00 0.00 C ATOM 1361 CE1 PHE B 38 107.073 63.255 41.162 1.00 0.00 C ATOM 1362 CE2 PHE B 38 108.157 61.737 42.747 1.00 0.00 C ATOM 1363 CZ PHE B 38 107.412 62.910 42.489 1.00 0.00 C ATOM 0 H PHE B 38 107.078 58.771 40.037 1.00 0.00 H new ATOM 0 HA PHE B 38 106.801 60.894 38.174 1.00 0.00 H new ATOM 0 HB2 PHE B 38 109.109 59.455 39.588 1.00 0.00 H new ATOM 0 HB3 PHE B 38 109.406 60.872 38.602 1.00 0.00 H new ATOM 0 HD1 PHE B 38 107.219 62.689 39.077 1.00 0.00 H new ATOM 0 HD2 PHE B 38 109.127 60.010 41.874 1.00 0.00 H new ATOM 0 HE1 PHE B 38 106.505 64.152 40.965 1.00 0.00 H new ATOM 0 HE2 PHE B 38 108.418 61.475 43.762 1.00 0.00 H new ATOM 0 HZ PHE B 38 107.102 63.543 43.307 1.00 0.00 H new ATOM 1373 N THR B 39 108.514 58.388 36.905 1.00 0.00 N ATOM 1374 CA THR B 39 108.955 57.857 35.581 1.00 0.00 C ATOM 1375 C THR B 39 107.765 57.793 34.618 1.00 0.00 C ATOM 1376 O THR B 39 107.887 58.085 33.445 1.00 0.00 O ATOM 1377 CB THR B 39 109.492 56.456 35.870 1.00 0.00 C ATOM 1378 OG1 THR B 39 110.640 56.554 36.700 1.00 0.00 O ATOM 1379 CG2 THR B 39 109.868 55.768 34.557 1.00 0.00 C ATOM 0 H THR B 39 108.755 57.809 37.709 1.00 0.00 H new ATOM 0 HA THR B 39 109.710 58.489 35.112 1.00 0.00 H new ATOM 0 HB THR B 39 108.724 55.871 36.376 1.00 0.00 H new ATOM 0 HG1 THR B 39 110.544 55.948 37.464 1.00 0.00 H new ATOM 0 HG21 THR B 39 110.251 54.769 34.766 1.00 0.00 H new ATOM 0 HG22 THR B 39 108.987 55.693 33.920 1.00 0.00 H new ATOM 0 HG23 THR B 39 110.635 56.351 34.047 1.00 0.00 H new ATOM 1387 N ARG B 40 106.615 57.417 35.106 1.00 0.00 N ATOM 1388 CA ARG B 40 105.419 57.341 34.219 1.00 0.00 C ATOM 1389 C ARG B 40 104.930 58.751 33.880 1.00 0.00 C ATOM 1390 O ARG B 40 104.333 58.981 32.847 1.00 0.00 O ATOM 1391 CB ARG B 40 104.366 56.590 35.036 1.00 0.00 C ATOM 1392 CG ARG B 40 103.176 56.242 34.140 1.00 0.00 C ATOM 1393 CD ARG B 40 102.490 54.980 34.669 1.00 0.00 C ATOM 1394 NE ARG B 40 101.288 55.473 35.398 1.00 0.00 N ATOM 1395 CZ ARG B 40 100.687 54.701 36.261 1.00 0.00 C ATOM 1396 NH1 ARG B 40 99.996 53.673 35.848 1.00 0.00 N ATOM 1397 NH2 ARG B 40 100.776 54.956 37.538 1.00 0.00 N ATOM 0 H ARG B 40 106.451 57.159 36.079 1.00 0.00 H new ATOM 0 HA ARG B 40 105.633 56.840 33.275 1.00 0.00 H new ATOM 0 HB2 ARG B 40 104.797 55.681 35.456 1.00 0.00 H new ATOM 0 HB3 ARG B 40 104.036 57.203 35.875 1.00 0.00 H new ATOM 0 HG2 ARG B 40 102.469 57.071 34.118 1.00 0.00 H new ATOM 0 HG3 ARG B 40 103.513 56.083 33.116 1.00 0.00 H new ATOM 0 HD2 ARG B 40 102.211 54.311 33.855 1.00 0.00 H new ATOM 0 HD3 ARG B 40 103.150 54.419 35.330 1.00 0.00 H new ATOM 0 HE ARG B 40 100.935 56.414 35.222 1.00 0.00 H new ATOM 0 HH11 ARG B 40 99.926 53.473 34.850 1.00 0.00 H new ATOM 0 HH12 ARG B 40 99.526 53.070 36.523 1.00 0.00 H new ATOM 0 HH21 ARG B 40 101.315 55.759 37.861 1.00 0.00 H new ATOM 0 HH22 ARG B 40 100.306 54.352 38.213 1.00 0.00 H new ATOM 1411 N LEU B 41 105.183 59.698 34.744 1.00 0.00 N ATOM 1412 CA LEU B 41 104.735 61.094 34.474 1.00 0.00 C ATOM 1413 C LEU B 41 105.384 61.616 33.189 1.00 0.00 C ATOM 1414 O LEU B 41 104.785 62.359 32.437 1.00 0.00 O ATOM 1415 CB LEU B 41 105.207 61.906 35.680 1.00 0.00 C ATOM 1416 CG LEU B 41 104.021 62.661 36.283 1.00 0.00 C ATOM 1417 CD1 LEU B 41 103.500 61.901 37.503 1.00 0.00 C ATOM 1418 CD2 LEU B 41 104.471 64.060 36.709 1.00 0.00 C ATOM 0 H LEU B 41 105.680 59.565 35.624 1.00 0.00 H new ATOM 0 HA LEU B 41 103.656 61.161 34.337 1.00 0.00 H new ATOM 0 HB2 LEU B 41 105.649 61.245 36.426 1.00 0.00 H new ATOM 0 HB3 LEU B 41 105.983 62.609 35.377 1.00 0.00 H new ATOM 0 HG LEU B 41 103.228 62.744 35.540 1.00 0.00 H new ATOM 0 HD11 LEU B 41 102.655 62.439 37.933 1.00 0.00 H new ATOM 0 HD12 LEU B 41 103.180 60.904 37.201 1.00 0.00 H new ATOM 0 HD13 LEU B 41 104.293 61.818 38.246 1.00 0.00 H new ATOM 0 HD21 LEU B 41 103.626 64.599 37.139 1.00 0.00 H new ATOM 0 HD22 LEU B 41 105.264 63.977 37.452 1.00 0.00 H new ATOM 0 HD23 LEU B 41 104.843 64.603 35.840 1.00 0.00 H new ATOM 1430 N ARG B 42 106.605 61.235 32.933 1.00 0.00 N ATOM 1431 CA ARG B 42 107.291 61.713 31.698 1.00 0.00 C ATOM 1432 C ARG B 42 106.460 61.358 30.461 1.00 0.00 C ATOM 1433 O ARG B 42 106.373 62.122 29.521 1.00 0.00 O ATOM 1434 CB ARG B 42 108.628 60.973 31.673 1.00 0.00 C ATOM 1435 CG ARG B 42 109.774 61.983 31.738 1.00 0.00 C ATOM 1436 CD ARG B 42 110.674 61.657 32.930 1.00 0.00 C ATOM 1437 NE ARG B 42 111.605 60.607 32.430 1.00 0.00 N ATOM 1438 CZ ARG B 42 112.660 60.284 33.127 1.00 0.00 C ATOM 1439 NH1 ARG B 42 113.369 61.214 33.709 1.00 0.00 N ATOM 1440 NH2 ARG B 42 113.007 59.031 33.243 1.00 0.00 N ATOM 0 H ARG B 42 107.157 60.614 33.524 1.00 0.00 H new ATOM 0 HA ARG B 42 107.424 62.795 31.694 1.00 0.00 H new ATOM 0 HB2 ARG B 42 108.689 60.283 32.515 1.00 0.00 H new ATOM 0 HB3 ARG B 42 108.708 60.375 30.765 1.00 0.00 H new ATOM 0 HG2 ARG B 42 110.351 61.954 30.814 1.00 0.00 H new ATOM 0 HG3 ARG B 42 109.377 62.994 31.834 1.00 0.00 H new ATOM 0 HD2 ARG B 42 111.218 62.539 33.268 1.00 0.00 H new ATOM 0 HD3 ARG B 42 110.092 61.298 33.778 1.00 0.00 H new ATOM 0 HE ARG B 42 111.418 60.140 31.543 1.00 0.00 H new ATOM 0 HH11 ARG B 42 113.098 62.193 33.619 1.00 0.00 H new ATOM 0 HH12 ARG B 42 114.193 60.961 34.254 1.00 0.00 H new ATOM 0 HH21 ARG B 42 112.454 58.304 32.789 1.00 0.00 H new ATOM 0 HH22 ARG B 42 113.832 58.778 33.788 1.00 0.00 H new ATOM 1454 N GLU B 43 105.852 60.203 30.455 1.00 0.00 N ATOM 1455 CA GLU B 43 105.029 59.798 29.278 1.00 0.00 C ATOM 1456 C GLU B 43 103.742 60.630 29.206 1.00 0.00 C ATOM 1457 O GLU B 43 103.051 60.630 28.206 1.00 0.00 O ATOM 1458 CB GLU B 43 104.701 58.324 29.515 1.00 0.00 C ATOM 1459 CG GLU B 43 105.790 57.451 28.889 1.00 0.00 C ATOM 1460 CD GLU B 43 105.387 57.077 27.461 1.00 0.00 C ATOM 1461 OE1 GLU B 43 104.308 56.532 27.295 1.00 0.00 O ATOM 1462 OE2 GLU B 43 106.165 57.339 26.559 1.00 0.00 O ATOM 0 H GLU B 43 105.889 59.522 31.214 1.00 0.00 H new ATOM 0 HA GLU B 43 105.556 59.956 28.337 1.00 0.00 H new ATOM 0 HB2 GLU B 43 104.630 58.124 30.584 1.00 0.00 H new ATOM 0 HB3 GLU B 43 103.731 58.082 29.080 1.00 0.00 H new ATOM 0 HG2 GLU B 43 106.740 57.986 28.882 1.00 0.00 H new ATOM 0 HG3 GLU B 43 105.936 56.550 29.485 1.00 0.00 H new ATOM 1469 N ALA B 44 103.412 61.336 30.255 1.00 0.00 N ATOM 1470 CA ALA B 44 102.166 62.159 30.235 1.00 0.00 C ATOM 1471 C ALA B 44 102.480 63.591 29.811 1.00 0.00 C ATOM 1472 O ALA B 44 102.019 64.066 28.792 1.00 0.00 O ATOM 1473 CB ALA B 44 101.660 62.152 31.674 1.00 0.00 C ATOM 0 H ALA B 44 103.948 61.379 31.122 1.00 0.00 H new ATOM 0 HA ALA B 44 101.433 61.763 29.532 1.00 0.00 H new ATOM 0 HB1 ALA B 44 100.744 62.738 31.740 1.00 0.00 H new ATOM 0 HB2 ALA B 44 101.458 61.127 31.984 1.00 0.00 H new ATOM 0 HB3 ALA B 44 102.416 62.586 32.328 1.00 0.00 H new ATOM 1479 N ARG B 45 103.247 64.289 30.602 1.00 0.00 N ATOM 1480 CA ARG B 45 103.581 65.701 30.270 1.00 0.00 C ATOM 1481 C ARG B 45 104.036 65.823 28.811 1.00 0.00 C ATOM 1482 O ARG B 45 103.847 66.841 28.174 1.00 0.00 O ATOM 1483 CB ARG B 45 104.721 66.073 31.220 1.00 0.00 C ATOM 1484 CG ARG B 45 105.204 67.491 30.908 1.00 0.00 C ATOM 1485 CD ARG B 45 104.062 68.483 31.140 1.00 0.00 C ATOM 1486 NE ARG B 45 104.732 69.798 31.341 1.00 0.00 N ATOM 1487 CZ ARG B 45 104.238 70.874 30.790 1.00 0.00 C ATOM 1488 NH1 ARG B 45 102.945 71.028 30.704 1.00 0.00 N ATOM 1489 NH2 ARG B 45 105.038 71.794 30.324 1.00 0.00 N ATOM 0 H ARG B 45 103.658 63.940 31.468 1.00 0.00 H new ATOM 0 HA ARG B 45 102.720 66.360 30.383 1.00 0.00 H new ATOM 0 HB2 ARG B 45 104.381 66.013 32.254 1.00 0.00 H new ATOM 0 HB3 ARG B 45 105.543 65.366 31.113 1.00 0.00 H new ATOM 0 HG2 ARG B 45 106.054 67.744 31.541 1.00 0.00 H new ATOM 0 HG3 ARG B 45 105.547 67.551 29.875 1.00 0.00 H new ATOM 0 HD2 ARG B 45 103.384 68.511 30.287 1.00 0.00 H new ATOM 0 HD3 ARG B 45 103.468 68.205 32.011 1.00 0.00 H new ATOM 0 HE ARG B 45 105.577 69.858 31.909 1.00 0.00 H new ATOM 0 HH11 ARG B 45 102.320 70.308 31.067 1.00 0.00 H new ATOM 0 HH12 ARG B 45 102.559 71.868 30.274 1.00 0.00 H new ATOM 0 HH21 ARG B 45 106.049 71.672 30.390 1.00 0.00 H new ATOM 0 HH22 ARG B 45 104.653 72.635 29.894 1.00 0.00 H new ATOM 1503 N ARG B 46 104.632 64.793 28.277 1.00 0.00 N ATOM 1504 CA ARG B 46 105.095 64.851 26.861 1.00 0.00 C ATOM 1505 C ARG B 46 104.501 63.688 26.062 1.00 0.00 C ATOM 1506 O ARG B 46 104.917 62.565 26.289 1.00 0.00 O ATOM 1507 CB ARG B 46 106.617 64.727 26.937 1.00 0.00 C ATOM 1508 CG ARG B 46 107.182 65.861 27.796 1.00 0.00 C ATOM 1509 CD ARG B 46 108.698 65.939 27.609 1.00 0.00 C ATOM 1510 NE ARG B 46 108.904 67.005 26.590 1.00 0.00 N ATOM 1511 CZ ARG B 46 109.987 67.011 25.862 1.00 0.00 C ATOM 1512 NH1 ARG B 46 110.247 66.007 25.070 1.00 0.00 N ATOM 1513 NH2 ARG B 46 110.811 68.021 25.926 1.00 0.00 N ATOM 1514 OXT ARG B 46 103.642 63.943 25.234 1.00 0.00 O ATOM 0 H ARG B 46 104.819 63.914 28.759 1.00 0.00 H new ATOM 0 HA ARG B 46 104.785 65.769 26.362 1.00 0.00 H new ATOM 0 HB2 ARG B 46 106.893 63.762 27.363 1.00 0.00 H new ATOM 0 HB3 ARG B 46 107.046 64.767 25.936 1.00 0.00 H new ATOM 0 HG2 ARG B 46 106.721 66.808 27.515 1.00 0.00 H new ATOM 0 HG3 ARG B 46 106.943 65.690 28.846 1.00 0.00 H new ATOM 0 HD2 ARG B 46 109.199 66.185 28.545 1.00 0.00 H new ATOM 0 HD3 ARG B 46 109.104 64.986 27.271 1.00 0.00 H new ATOM 0 HE ARG B 46 108.199 67.730 26.461 1.00 0.00 H new ATOM 0 HH11 ARG B 46 109.604 65.217 25.020 1.00 0.00 H new ATOM 0 HH12 ARG B 46 111.094 66.012 24.501 1.00 0.00 H new ATOM 0 HH21 ARG B 46 110.609 68.806 26.545 1.00 0.00 H new ATOM 0 HH22 ARG B 46 111.657 68.025 25.357 1.00 0.00 H new TER 1528 ARG B 46