USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 742 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 45 HIS : no HE2:sc= -4.09! C(o=-4.1!,f=-5!) USER MOD Set 2.1: A 37 HIS : no HD1:sc= -12.6! C(o=-15!,f=-23!) USER MOD Set 2.2: D 37 HIS : no HE2:sc= -2.44 K(o=-15,f=-25!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HD1:sc= -1.65 K(o=-1.6,f=-3.1) USER MOD Single : B 42 THR OG1 : rot -73:sc= -0.564 USER MOD Single : B 45 HIS : no HD1:sc=-0.00922 X(o=-0.0092,f=-0.0092) USER MOD Single : B 47 ASN : amide:sc= -0.605 K(o=-0.61,f=-6.2!) USER MOD Single : B 48 GLN : amide:sc= -2.65! C(o=-2.6!,f=-3.5!) USER MOD Single : C 31 SER OG : rot -170:sc= -0.167 USER MOD Single : C 37 HIS : no HD1:sc= -8.66! C(o=-8.7!,f=-12!) USER MOD Single : C 42 THR OG1 : rot -102:sc= 1.09 USER MOD Single : C 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 42 THR OG1 : rot -66:sc= 0.745 USER MOD Single : D 45 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 23 N PRO A 25 77.429 2.750 2.207 1.00 0.00 N ATOM 24 CA PRO A 25 78.074 1.920 1.147 1.00 0.00 C ATOM 25 C PRO A 25 78.398 2.742 -0.101 1.00 0.00 C ATOM 26 O PRO A 25 78.491 2.206 -1.205 1.00 0.00 O ATOM 27 CB PRO A 25 77.014 0.854 0.853 1.00 0.00 C ATOM 28 CG PRO A 25 75.710 1.540 1.113 1.00 0.00 C ATOM 29 CD PRO A 25 75.971 2.537 2.252 1.00 0.00 C ATOM 0 HA PRO A 25 79.031 1.503 1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 25 77.079 0.503 -0.177 1.00 0.00 H new ATOM 0 HB3 PRO A 25 77.139 -0.018 1.495 1.00 0.00 H new ATOM 0 HG2 PRO A 25 75.355 2.054 0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 25 74.941 0.821 1.394 1.00 0.00 H new ATOM 0 HD2 PRO A 25 75.426 3.469 2.101 1.00 0.00 H new ATOM 0 HD3 PRO A 25 75.655 2.136 3.215 1.00 0.00 H new ATOM 37 N LEU A 26 78.555 4.025 0.083 1.00 0.00 N ATOM 38 CA LEU A 26 78.859 4.919 -1.030 1.00 0.00 C ATOM 39 C LEU A 26 80.278 4.689 -1.548 1.00 0.00 C ATOM 40 O LEU A 26 80.510 4.667 -2.757 1.00 0.00 O ATOM 41 CB LEU A 26 78.708 6.377 -0.574 1.00 0.00 C ATOM 42 CG LEU A 26 78.868 7.339 -1.766 1.00 0.00 C ATOM 43 CD1 LEU A 26 77.678 7.203 -2.734 1.00 0.00 C ATOM 44 CD2 LEU A 26 78.940 8.777 -1.236 1.00 0.00 C ATOM 0 H LEU A 26 78.480 4.487 0.989 1.00 0.00 H new ATOM 0 HA LEU A 26 78.160 4.709 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 26 77.730 6.520 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 26 79.455 6.605 0.186 1.00 0.00 H new ATOM 0 HG LEU A 26 79.782 7.092 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 26 77.809 7.890 -3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 26 77.629 6.181 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 26 76.753 7.442 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 26 79.053 9.468 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 26 78.024 9.011 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 26 79.794 8.875 -0.566 1.00 0.00 H new ATOM 56 N VAL A 27 81.209 4.533 -0.645 1.00 0.00 N ATOM 57 CA VAL A 27 82.605 4.321 -1.022 1.00 0.00 C ATOM 58 C VAL A 27 82.819 2.939 -1.638 1.00 0.00 C ATOM 59 O VAL A 27 83.589 2.788 -2.587 1.00 0.00 O ATOM 60 CB VAL A 27 83.502 4.472 0.207 1.00 0.00 C ATOM 61 CG1 VAL A 27 83.202 3.350 1.201 1.00 0.00 C ATOM 62 CG2 VAL A 27 84.968 4.395 -0.221 1.00 0.00 C ATOM 0 H VAL A 27 81.039 4.547 0.361 1.00 0.00 H new ATOM 0 HA VAL A 27 82.864 5.071 -1.770 1.00 0.00 H new ATOM 0 HB VAL A 27 83.310 5.435 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 27 83.842 3.459 2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 27 82.157 3.404 1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 27 83.393 2.386 0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 27 85.609 4.503 0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 27 85.159 3.432 -0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 27 85.183 5.196 -0.929 1.00 0.00 H new ATOM 72 N VAL A 28 82.160 1.953 -1.097 1.00 0.00 N ATOM 73 CA VAL A 28 82.300 0.587 -1.595 1.00 0.00 C ATOM 74 C VAL A 28 81.728 0.458 -3.005 1.00 0.00 C ATOM 75 O VAL A 28 82.319 -0.189 -3.869 1.00 0.00 O ATOM 76 CB VAL A 28 81.588 -0.386 -0.654 1.00 0.00 C ATOM 77 CG1 VAL A 28 81.753 -1.815 -1.173 1.00 0.00 C ATOM 78 CG2 VAL A 28 82.200 -0.276 0.744 1.00 0.00 C ATOM 0 H VAL A 28 81.518 2.055 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 28 83.362 0.344 -1.632 1.00 0.00 H new ATOM 0 HB VAL A 28 80.527 -0.139 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 28 81.245 -2.507 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 28 81.319 -1.892 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 28 82.813 -2.066 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 28 81.695 -0.968 1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 28 83.260 -0.524 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 28 82.081 0.742 1.114 1.00 0.00 H new ATOM 88 N ALA A 29 80.594 1.061 -3.221 1.00 0.00 N ATOM 89 CA ALA A 29 79.948 1.004 -4.528 1.00 0.00 C ATOM 90 C ALA A 29 80.938 1.360 -5.635 1.00 0.00 C ATOM 91 O ALA A 29 80.867 0.825 -6.742 1.00 0.00 O ATOM 92 CB ALA A 29 78.764 1.971 -4.569 1.00 0.00 C ATOM 0 H ALA A 29 80.088 1.600 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 29 79.592 -0.013 -4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 29 78.288 1.922 -5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 29 78.042 1.695 -3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 29 79.117 2.986 -4.388 1.00 0.00 H new ATOM 98 N ALA A 30 81.836 2.259 -5.339 1.00 0.00 N ATOM 99 CA ALA A 30 82.830 2.695 -6.316 1.00 0.00 C ATOM 100 C ALA A 30 83.810 1.574 -6.666 1.00 0.00 C ATOM 101 O ALA A 30 84.249 1.463 -7.810 1.00 0.00 O ATOM 102 CB ALA A 30 83.604 3.894 -5.768 1.00 0.00 C ATOM 0 H ALA A 30 81.911 2.713 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 30 82.299 2.976 -7.225 1.00 0.00 H new ATOM 0 HB1 ALA A 30 84.344 4.215 -6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 30 82.913 4.713 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 30 84.108 3.610 -4.844 1.00 0.00 H new ATOM 108 N SER A 31 84.159 0.772 -5.695 1.00 0.00 N ATOM 109 CA SER A 31 85.104 -0.319 -5.923 1.00 0.00 C ATOM 110 C SER A 31 84.592 -1.286 -6.989 1.00 0.00 C ATOM 111 O SER A 31 85.346 -1.711 -7.865 1.00 0.00 O ATOM 112 CB SER A 31 85.344 -1.080 -4.619 1.00 0.00 C ATOM 113 OG SER A 31 86.271 -2.132 -4.854 1.00 0.00 O ATOM 0 H SER A 31 83.812 0.843 -4.739 1.00 0.00 H new ATOM 0 HA SER A 31 86.039 0.116 -6.276 1.00 0.00 H new ATOM 0 HB2 SER A 31 85.729 -0.404 -3.855 1.00 0.00 H new ATOM 0 HB3 SER A 31 84.405 -1.485 -4.242 1.00 0.00 H new ATOM 0 HG SER A 31 86.429 -2.621 -4.020 1.00 0.00 H new ATOM 119 N ILE A 32 83.336 -1.629 -6.910 1.00 0.00 N ATOM 120 CA ILE A 32 82.747 -2.552 -7.875 1.00 0.00 C ATOM 121 C ILE A 32 83.070 -2.121 -9.302 1.00 0.00 C ATOM 122 O ILE A 32 83.259 -2.955 -10.188 1.00 0.00 O ATOM 123 CB ILE A 32 81.230 -2.601 -7.685 1.00 0.00 C ATOM 124 CG1 ILE A 32 80.913 -3.005 -6.243 1.00 0.00 C ATOM 125 CG2 ILE A 32 80.627 -3.628 -8.645 1.00 0.00 C ATOM 126 CD1 ILE A 32 79.422 -2.799 -5.971 1.00 0.00 C ATOM 0 H ILE A 32 82.692 -1.292 -6.195 1.00 0.00 H new ATOM 0 HA ILE A 32 83.169 -3.543 -7.707 1.00 0.00 H new ATOM 0 HB ILE A 32 80.805 -1.619 -7.892 1.00 0.00 H new ATOM 0 HG12 ILE A 32 81.183 -4.048 -6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 32 81.506 -2.410 -5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 32 79.546 -3.662 -8.509 1.00 0.00 H new ATOM 0 HG22 ILE A 32 80.855 -3.343 -9.672 1.00 0.00 H new ATOM 0 HG23 ILE A 32 81.050 -4.611 -8.439 1.00 0.00 H new ATOM 0 HD11 ILE A 32 79.196 -3.087 -4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 32 79.167 -1.750 -6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 32 78.839 -3.414 -6.657 1.00 0.00 H new ATOM 138 N ILE A 33 83.129 -0.836 -9.511 1.00 0.00 N ATOM 139 CA ILE A 33 83.427 -0.289 -10.829 1.00 0.00 C ATOM 140 C ILE A 33 84.887 -0.559 -11.206 1.00 0.00 C ATOM 141 O ILE A 33 85.220 -0.672 -12.386 1.00 0.00 O ATOM 142 CB ILE A 33 83.142 1.227 -10.851 1.00 0.00 C ATOM 143 CG1 ILE A 33 81.674 1.476 -10.440 1.00 0.00 C ATOM 144 CG2 ILE A 33 83.383 1.788 -12.267 1.00 0.00 C ATOM 145 CD1 ILE A 33 81.267 2.925 -10.747 1.00 0.00 C ATOM 0 H ILE A 33 82.975 -0.133 -8.788 1.00 0.00 H new ATOM 0 HA ILE A 33 82.786 -0.779 -11.561 1.00 0.00 H new ATOM 0 HB ILE A 33 83.810 1.729 -10.151 1.00 0.00 H new ATOM 0 HG12 ILE A 33 81.019 0.787 -10.974 1.00 0.00 H new ATOM 0 HG13 ILE A 33 81.549 1.275 -9.376 1.00 0.00 H new ATOM 0 HG21 ILE A 33 83.179 2.859 -12.274 1.00 0.00 H new ATOM 0 HG22 ILE A 33 84.420 1.614 -12.556 1.00 0.00 H new ATOM 0 HG23 ILE A 33 82.721 1.288 -12.974 1.00 0.00 H new ATOM 0 HD11 ILE A 33 80.230 3.082 -10.451 1.00 0.00 H new ATOM 0 HD12 ILE A 33 81.910 3.609 -10.193 1.00 0.00 H new ATOM 0 HD13 ILE A 33 81.372 3.114 -11.815 1.00 0.00 H new ATOM 157 N GLY A 34 85.740 -0.648 -10.221 1.00 0.00 N ATOM 158 CA GLY A 34 87.159 -0.886 -10.471 1.00 0.00 C ATOM 159 C GLY A 34 87.420 -2.267 -11.073 1.00 0.00 C ATOM 160 O GLY A 34 88.120 -2.390 -12.077 1.00 0.00 O ATOM 0 H GLY A 34 85.490 -0.561 -9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 34 87.540 -0.120 -11.147 1.00 0.00 H new ATOM 0 HA3 GLY A 34 87.711 -0.790 -9.536 1.00 0.00 H new ATOM 164 N ILE A 35 86.881 -3.284 -10.468 1.00 0.00 N ATOM 165 CA ILE A 35 87.089 -4.642 -10.960 1.00 0.00 C ATOM 166 C ILE A 35 86.546 -4.797 -12.380 1.00 0.00 C ATOM 167 O ILE A 35 87.044 -5.609 -13.160 1.00 0.00 O ATOM 168 CB ILE A 35 86.399 -5.646 -10.036 1.00 0.00 C ATOM 169 CG1 ILE A 35 86.804 -5.372 -8.586 1.00 0.00 C ATOM 170 CG2 ILE A 35 86.827 -7.063 -10.419 1.00 0.00 C ATOM 171 CD1 ILE A 35 86.042 -6.317 -7.656 1.00 0.00 C ATOM 0 H ILE A 35 86.295 -3.215 -9.636 1.00 0.00 H new ATOM 0 HA ILE A 35 88.161 -4.837 -10.974 1.00 0.00 H new ATOM 0 HB ILE A 35 85.318 -5.547 -10.137 1.00 0.00 H new ATOM 0 HG12 ILE A 35 87.878 -5.513 -8.464 1.00 0.00 H new ATOM 0 HG13 ILE A 35 86.587 -4.336 -8.326 1.00 0.00 H new ATOM 0 HG21 ILE A 35 86.337 -7.781 -9.762 1.00 0.00 H new ATOM 0 HG22 ILE A 35 86.542 -7.263 -11.452 1.00 0.00 H new ATOM 0 HG23 ILE A 35 87.908 -7.157 -10.317 1.00 0.00 H new ATOM 0 HD11 ILE A 35 86.330 -6.122 -6.623 1.00 0.00 H new ATOM 0 HD12 ILE A 35 84.970 -6.154 -7.770 1.00 0.00 H new ATOM 0 HD13 ILE A 35 86.281 -7.349 -7.911 1.00 0.00 H new ATOM 183 N LEU A 36 85.535 -4.040 -12.698 1.00 0.00 N ATOM 184 CA LEU A 36 84.924 -4.115 -14.021 1.00 0.00 C ATOM 185 C LEU A 36 85.920 -3.738 -15.116 1.00 0.00 C ATOM 186 O LEU A 36 85.984 -4.394 -16.154 1.00 0.00 O ATOM 187 CB LEU A 36 83.705 -3.186 -14.088 1.00 0.00 C ATOM 188 CG LEU A 36 82.980 -3.347 -15.436 1.00 0.00 C ATOM 189 CD1 LEU A 36 82.413 -4.772 -15.573 1.00 0.00 C ATOM 190 CD2 LEU A 36 81.836 -2.327 -15.511 1.00 0.00 C ATOM 0 H LEU A 36 85.107 -3.360 -12.069 1.00 0.00 H new ATOM 0 HA LEU A 36 84.609 -5.145 -14.188 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.021 -3.414 -13.271 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.021 -2.151 -13.960 1.00 0.00 H new ATOM 0 HG LEU A 36 83.687 -3.175 -16.248 1.00 0.00 H new ATOM 0 HD11 LEU A 36 81.903 -4.870 -16.531 1.00 0.00 H new ATOM 0 HD12 LEU A 36 83.228 -5.494 -15.520 1.00 0.00 H new ATOM 0 HD13 LEU A 36 81.706 -4.962 -14.765 1.00 0.00 H new ATOM 0 HD21 LEU A 36 81.316 -2.433 -16.463 1.00 0.00 H new ATOM 0 HD22 LEU A 36 81.137 -2.504 -14.694 1.00 0.00 H new ATOM 0 HD23 LEU A 36 82.242 -1.319 -15.430 1.00 0.00 H new ATOM 202 N HIS A 37 86.664 -2.690 -14.909 1.00 0.00 N ATOM 203 CA HIS A 37 87.619 -2.258 -15.923 1.00 0.00 C ATOM 204 C HIS A 37 88.673 -3.331 -16.193 1.00 0.00 C ATOM 205 O HIS A 37 89.217 -3.398 -17.295 1.00 0.00 O ATOM 206 CB HIS A 37 88.291 -0.936 -15.526 1.00 0.00 C ATOM 207 CG HIS A 37 89.132 -1.103 -14.290 1.00 0.00 C ATOM 208 ND1 HIS A 37 89.990 -2.178 -14.108 1.00 0.00 N ATOM 209 CD2 HIS A 37 89.258 -0.329 -13.163 1.00 0.00 C ATOM 210 CE1 HIS A 37 90.582 -2.025 -12.910 1.00 0.00 C ATOM 211 NE2 HIS A 37 90.173 -0.914 -12.292 1.00 0.00 N ATOM 0 H HIS A 37 86.639 -2.117 -14.065 1.00 0.00 H new ATOM 0 HA HIS A 37 87.059 -2.095 -16.844 1.00 0.00 H new ATOM 0 HB2 HIS A 37 88.913 -0.580 -16.347 1.00 0.00 H new ATOM 0 HB3 HIS A 37 87.529 -0.176 -15.351 1.00 0.00 H new ATOM 0 HD2 HIS A 37 88.728 0.594 -12.980 1.00 0.00 H new ATOM 0 HE1 HIS A 37 91.301 -2.717 -12.498 1.00 0.00 H new ATOM 0 HE2 HIS A 37 90.468 -0.569 -11.379 1.00 0.00 H new ATOM 220 N PHE A 38 88.974 -4.140 -15.210 1.00 0.00 N ATOM 221 CA PHE A 38 89.986 -5.181 -15.373 1.00 0.00 C ATOM 222 C PHE A 38 89.592 -6.209 -16.427 1.00 0.00 C ATOM 223 O PHE A 38 90.385 -6.518 -17.316 1.00 0.00 O ATOM 224 CB PHE A 38 90.200 -5.886 -14.031 1.00 0.00 C ATOM 225 CG PHE A 38 91.222 -6.986 -14.188 1.00 0.00 C ATOM 226 CD1 PHE A 38 90.831 -8.242 -14.665 1.00 0.00 C ATOM 227 CD2 PHE A 38 92.559 -6.750 -13.850 1.00 0.00 C ATOM 228 CE1 PHE A 38 91.779 -9.264 -14.806 1.00 0.00 C ATOM 229 CE2 PHE A 38 93.507 -7.770 -13.991 1.00 0.00 C ATOM 230 CZ PHE A 38 93.117 -9.028 -14.468 1.00 0.00 C ATOM 0 H PHE A 38 88.541 -4.108 -14.287 1.00 0.00 H new ATOM 0 HA PHE A 38 90.906 -4.702 -15.709 1.00 0.00 H new ATOM 0 HB2 PHE A 38 90.537 -5.169 -13.283 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.258 -6.301 -13.674 1.00 0.00 H new ATOM 0 HD1 PHE A 38 89.798 -8.424 -14.924 1.00 0.00 H new ATOM 0 HD2 PHE A 38 92.860 -5.781 -13.480 1.00 0.00 H new ATOM 0 HE1 PHE A 38 91.478 -10.233 -15.175 1.00 0.00 H new ATOM 0 HE2 PHE A 38 94.539 -7.587 -13.732 1.00 0.00 H new ATOM 0 HZ PHE A 38 93.848 -9.816 -14.575 1.00 0.00 H new ATOM 240 N ILE A 39 88.405 -6.744 -16.333 1.00 0.00 N ATOM 241 CA ILE A 39 87.986 -7.746 -17.304 1.00 0.00 C ATOM 242 C ILE A 39 88.075 -7.180 -18.718 1.00 0.00 C ATOM 243 O ILE A 39 88.458 -7.884 -19.644 1.00 0.00 O ATOM 244 CB ILE A 39 86.566 -8.251 -17.001 1.00 0.00 C ATOM 245 CG1 ILE A 39 86.065 -9.113 -18.171 1.00 0.00 C ATOM 246 CG2 ILE A 39 85.616 -7.073 -16.780 1.00 0.00 C ATOM 247 CD1 ILE A 39 84.875 -9.959 -17.713 1.00 0.00 C ATOM 0 H ILE A 39 87.717 -6.517 -15.615 1.00 0.00 H new ATOM 0 HA ILE A 39 88.661 -8.599 -17.230 1.00 0.00 H new ATOM 0 HB ILE A 39 86.592 -8.852 -16.092 1.00 0.00 H new ATOM 0 HG12 ILE A 39 85.772 -8.476 -19.005 1.00 0.00 H new ATOM 0 HG13 ILE A 39 86.867 -9.759 -18.529 1.00 0.00 H new ATOM 0 HG21 ILE A 39 84.615 -7.448 -16.567 1.00 0.00 H new ATOM 0 HG22 ILE A 39 85.967 -6.476 -15.938 1.00 0.00 H new ATOM 0 HG23 ILE A 39 85.588 -6.455 -17.677 1.00 0.00 H new ATOM 0 HD11 ILE A 39 84.521 -10.569 -18.544 1.00 0.00 H new ATOM 0 HD12 ILE A 39 85.183 -10.607 -16.892 1.00 0.00 H new ATOM 0 HD13 ILE A 39 84.071 -9.304 -17.376 1.00 0.00 H new ATOM 259 N ALA A 40 87.721 -5.940 -18.882 1.00 0.00 N ATOM 260 CA ALA A 40 87.780 -5.311 -20.197 1.00 0.00 C ATOM 261 C ALA A 40 89.230 -5.039 -20.625 1.00 0.00 C ATOM 262 O ALA A 40 89.542 -5.000 -21.816 1.00 0.00 O ATOM 263 CB ALA A 40 86.997 -3.997 -20.177 1.00 0.00 C ATOM 0 H ALA A 40 87.387 -5.333 -18.133 1.00 0.00 H new ATOM 0 HA ALA A 40 87.336 -5.997 -20.918 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.044 -3.531 -21.161 1.00 0.00 H new ATOM 0 HB2 ALA A 40 85.957 -4.197 -19.919 1.00 0.00 H new ATOM 0 HB3 ALA A 40 87.432 -3.326 -19.436 1.00 0.00 H new ATOM 269 N TRP A 41 90.075 -4.796 -19.659 1.00 0.00 N ATOM 270 CA TRP A 41 91.484 -4.462 -19.914 1.00 0.00 C ATOM 271 C TRP A 41 92.214 -5.502 -20.768 1.00 0.00 C ATOM 272 O TRP A 41 93.070 -5.148 -21.578 1.00 0.00 O ATOM 273 CB TRP A 41 92.217 -4.306 -18.579 1.00 0.00 C ATOM 274 CG TRP A 41 93.561 -3.688 -18.808 1.00 0.00 C ATOM 275 CD1 TRP A 41 94.604 -4.300 -19.415 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.026 -2.357 -18.436 1.00 0.00 C ATOM 277 NE1 TRP A 41 95.677 -3.424 -19.450 1.00 0.00 N ATOM 278 CE2 TRP A 41 95.370 -2.214 -18.857 1.00 0.00 C ATOM 279 CE3 TRP A 41 93.418 -1.270 -17.784 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.083 -1.033 -18.637 1.00 0.00 C ATOM 281 CZ3 TRP A 41 94.135 -0.082 -17.558 1.00 0.00 C ATOM 282 CH2 TRP A 41 95.465 0.035 -17.985 1.00 0.00 C ATOM 0 H TRP A 41 89.825 -4.819 -18.670 1.00 0.00 H new ATOM 0 HA TRP A 41 91.487 -3.530 -20.479 1.00 0.00 H new ATOM 0 HB2 TRP A 41 91.631 -3.684 -17.902 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.331 -5.279 -18.100 1.00 0.00 H new ATOM 0 HD1 TRP A 41 94.601 -5.306 -19.808 1.00 0.00 H new ATOM 0 HE1 TRP A 41 96.583 -3.645 -19.863 1.00 0.00 H new ATOM 0 HE3 TRP A 41 92.393 -1.348 -17.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.107 -0.947 -18.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 93.658 0.745 -17.053 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.011 0.950 -17.810 1.00 0.00 H new ATOM 293 N THR A 42 91.904 -6.751 -20.582 1.00 0.00 N ATOM 294 CA THR A 42 92.581 -7.806 -21.350 1.00 0.00 C ATOM 295 C THR A 42 92.376 -7.607 -22.854 1.00 0.00 C ATOM 296 O THR A 42 93.264 -7.914 -23.650 1.00 0.00 O ATOM 297 CB THR A 42 92.083 -9.198 -20.932 1.00 0.00 C ATOM 298 OG1 THR A 42 92.125 -10.076 -22.049 1.00 0.00 O ATOM 299 CG2 THR A 42 90.654 -9.088 -20.427 1.00 0.00 C ATOM 0 H THR A 42 91.201 -7.082 -19.921 1.00 0.00 H new ATOM 0 HA THR A 42 93.647 -7.738 -21.132 1.00 0.00 H new ATOM 0 HB THR A 42 92.722 -9.591 -20.141 1.00 0.00 H new ATOM 0 HG1 THR A 42 91.809 -10.963 -21.780 1.00 0.00 H new ATOM 0 HG21 THR A 42 90.296 -10.074 -20.129 1.00 0.00 H new ATOM 0 HG22 THR A 42 90.622 -8.416 -19.569 1.00 0.00 H new ATOM 0 HG23 THR A 42 90.017 -8.695 -21.220 1.00 0.00 H new ATOM 307 N ILE A 43 91.231 -7.104 -23.235 1.00 0.00 N ATOM 308 CA ILE A 43 90.950 -6.876 -24.652 1.00 0.00 C ATOM 309 C ILE A 43 91.964 -5.887 -25.238 1.00 0.00 C ATOM 310 O ILE A 43 92.393 -6.033 -26.382 1.00 0.00 O ATOM 311 CB ILE A 43 89.503 -6.364 -24.844 1.00 0.00 C ATOM 312 CG1 ILE A 43 88.478 -7.504 -24.547 1.00 0.00 C ATOM 313 CG2 ILE A 43 89.323 -5.869 -26.291 1.00 0.00 C ATOM 314 CD1 ILE A 43 87.920 -7.364 -23.128 1.00 0.00 C ATOM 0 H ILE A 43 90.476 -6.842 -22.601 1.00 0.00 H new ATOM 0 HA ILE A 43 91.044 -7.822 -25.185 1.00 0.00 H new ATOM 0 HB ILE A 43 89.323 -5.543 -24.150 1.00 0.00 H new ATOM 0 HG12 ILE A 43 87.663 -7.467 -25.270 1.00 0.00 H new ATOM 0 HG13 ILE A 43 88.961 -8.475 -24.661 1.00 0.00 H new ATOM 0 HG21 ILE A 43 88.304 -5.508 -26.428 1.00 0.00 H new ATOM 0 HG22 ILE A 43 90.025 -5.059 -26.488 1.00 0.00 H new ATOM 0 HG23 ILE A 43 89.513 -6.690 -26.983 1.00 0.00 H new ATOM 0 HD11 ILE A 43 87.207 -8.166 -22.937 1.00 0.00 H new ATOM 0 HD12 ILE A 43 88.736 -7.425 -22.408 1.00 0.00 H new ATOM 0 HD13 ILE A 43 87.419 -6.401 -23.027 1.00 0.00 H new ATOM 326 N GLY A 44 92.327 -4.895 -24.470 1.00 0.00 N ATOM 327 CA GLY A 44 93.279 -3.882 -24.927 1.00 0.00 C ATOM 328 C GLY A 44 94.480 -4.529 -25.610 1.00 0.00 C ATOM 329 O GLY A 44 95.128 -3.920 -26.461 1.00 0.00 O ATOM 0 H GLY A 44 91.984 -4.754 -23.520 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.786 -3.201 -25.620 1.00 0.00 H new ATOM 0 HA3 GLY A 44 93.616 -3.286 -24.079 1.00 0.00 H new ATOM 333 N HIS A 45 94.755 -5.747 -25.247 1.00 0.00 N ATOM 334 CA HIS A 45 95.841 -6.495 -25.804 1.00 0.00 C ATOM 335 C HIS A 45 95.858 -6.391 -27.335 1.00 0.00 C ATOM 336 O HIS A 45 96.887 -6.607 -27.964 1.00 0.00 O ATOM 337 CB HIS A 45 95.665 -7.937 -25.363 1.00 0.00 C ATOM 338 CG HIS A 45 95.977 -8.089 -23.891 1.00 0.00 C ATOM 339 ND1 HIS A 45 95.343 -9.044 -23.110 1.00 0.00 N ATOM 340 CD2 HIS A 45 96.847 -7.434 -23.043 1.00 0.00 C ATOM 341 CE1 HIS A 45 95.832 -8.942 -21.862 1.00 0.00 C ATOM 342 NE2 HIS A 45 96.750 -7.979 -21.765 1.00 0.00 N ATOM 0 H HIS A 45 94.221 -6.257 -24.543 1.00 0.00 H new ATOM 0 HA HIS A 45 96.794 -6.098 -25.453 1.00 0.00 H new ATOM 0 HB2 HIS A 45 94.642 -8.260 -25.558 1.00 0.00 H new ATOM 0 HB3 HIS A 45 96.320 -8.583 -25.947 1.00 0.00 H new ATOM 0 HD1 HIS A 45 94.633 -9.705 -23.426 1.00 0.00 H new ATOM 0 HD2 HIS A 45 97.502 -6.624 -23.327 1.00 0.00 H new ATOM 0 HE1 HIS A 45 95.519 -9.565 -21.037 1.00 0.00 H new ATOM 495 N PRO B 25 83.278 15.823 0.848 1.00 0.00 N ATOM 496 CA PRO B 25 83.090 14.826 -0.250 1.00 0.00 C ATOM 497 C PRO B 25 84.412 14.505 -0.950 1.00 0.00 C ATOM 498 O PRO B 25 84.465 14.363 -2.172 1.00 0.00 O ATOM 499 CB PRO B 25 82.103 15.523 -1.196 1.00 0.00 C ATOM 500 CG PRO B 25 82.351 16.983 -0.996 1.00 0.00 C ATOM 501 CD PRO B 25 82.731 17.147 0.478 1.00 0.00 C ATOM 0 HA PRO B 25 82.724 13.864 0.108 1.00 0.00 H new ATOM 0 HB2 PRO B 25 82.274 15.231 -2.232 1.00 0.00 H new ATOM 0 HB3 PRO B 25 81.073 15.260 -0.957 1.00 0.00 H new ATOM 0 HG2 PRO B 25 83.151 17.336 -1.647 1.00 0.00 H new ATOM 0 HG3 PRO B 25 81.463 17.567 -1.237 1.00 0.00 H new ATOM 0 HD2 PRO B 25 83.468 17.938 0.616 1.00 0.00 H new ATOM 0 HD3 PRO B 25 81.866 17.408 1.088 1.00 0.00 H new ATOM 509 N LEU B 26 85.457 14.403 -0.176 1.00 0.00 N ATOM 510 CA LEU B 26 86.780 14.110 -0.713 1.00 0.00 C ATOM 511 C LEU B 26 86.803 12.726 -1.371 1.00 0.00 C ATOM 512 O LEU B 26 87.263 12.572 -2.502 1.00 0.00 O ATOM 513 CB LEU B 26 87.813 14.179 0.436 1.00 0.00 C ATOM 514 CG LEU B 26 89.169 14.697 -0.068 1.00 0.00 C ATOM 515 CD1 LEU B 26 90.091 14.945 1.126 1.00 0.00 C ATOM 516 CD2 LEU B 26 89.811 13.660 -0.991 1.00 0.00 C ATOM 0 H LEU B 26 85.429 14.517 0.837 1.00 0.00 H new ATOM 0 HA LEU B 26 87.032 14.846 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU B 26 87.441 14.833 1.225 1.00 0.00 H new ATOM 0 HB3 LEU B 26 87.939 13.190 0.876 1.00 0.00 H new ATOM 0 HG LEU B 26 89.016 15.625 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU B 26 91.054 15.313 0.772 1.00 0.00 H new ATOM 0 HD12 LEU B 26 89.640 15.686 1.786 1.00 0.00 H new ATOM 0 HD13 LEU B 26 90.237 14.013 1.673 1.00 0.00 H new ATOM 0 HD21 LEU B 26 90.772 14.033 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU B 26 89.962 12.730 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU B 26 89.157 13.477 -1.843 1.00 0.00 H new ATOM 528 N VAL B 27 86.315 11.742 -0.665 1.00 0.00 N ATOM 529 CA VAL B 27 86.289 10.376 -1.183 1.00 0.00 C ATOM 530 C VAL B 27 85.277 10.230 -2.317 1.00 0.00 C ATOM 531 O VAL B 27 85.488 9.457 -3.253 1.00 0.00 O ATOM 532 CB VAL B 27 85.937 9.400 -0.059 1.00 0.00 C ATOM 533 CG1 VAL B 27 85.931 7.971 -0.604 1.00 0.00 C ATOM 534 CG2 VAL B 27 86.976 9.515 1.058 1.00 0.00 C ATOM 0 H VAL B 27 85.927 11.848 0.272 1.00 0.00 H new ATOM 0 HA VAL B 27 87.280 10.148 -1.576 1.00 0.00 H new ATOM 0 HB VAL B 27 84.950 9.641 0.335 1.00 0.00 H new ATOM 0 HG11 VAL B 27 85.680 7.277 0.198 1.00 0.00 H new ATOM 0 HG12 VAL B 27 85.191 7.888 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL B 27 86.918 7.728 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL B 27 86.727 8.820 1.860 1.00 0.00 H new ATOM 0 HG22 VAL B 27 87.963 9.274 0.663 1.00 0.00 H new ATOM 0 HG23 VAL B 27 86.980 10.533 1.448 1.00 0.00 H new ATOM 544 N VAL B 28 84.200 10.958 -2.229 1.00 0.00 N ATOM 545 CA VAL B 28 83.165 10.895 -3.258 1.00 0.00 C ATOM 546 C VAL B 28 83.662 11.526 -4.556 1.00 0.00 C ATOM 547 O VAL B 28 83.463 10.979 -5.640 1.00 0.00 O ATOM 548 CB VAL B 28 81.905 11.618 -2.778 1.00 0.00 C ATOM 549 CG1 VAL B 28 80.802 11.482 -3.831 1.00 0.00 C ATOM 550 CG2 VAL B 28 81.436 10.996 -1.461 1.00 0.00 C ATOM 0 H VAL B 28 84.003 11.604 -1.464 1.00 0.00 H new ATOM 0 HA VAL B 28 82.928 9.848 -3.447 1.00 0.00 H new ATOM 0 HB VAL B 28 82.127 12.674 -2.624 1.00 0.00 H new ATOM 0 HG11 VAL B 28 79.905 11.998 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL B 28 81.138 11.924 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL B 28 80.576 10.427 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL B 28 80.538 11.509 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL B 28 81.214 9.940 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL B 28 82.221 11.095 -0.712 1.00 0.00 H new ATOM 560 N ALA B 29 84.295 12.660 -4.435 1.00 0.00 N ATOM 561 CA ALA B 29 84.814 13.363 -5.604 1.00 0.00 C ATOM 562 C ALA B 29 85.627 12.417 -6.485 1.00 0.00 C ATOM 563 O ALA B 29 85.554 12.482 -7.713 1.00 0.00 O ATOM 564 CB ALA B 29 85.694 14.533 -5.161 1.00 0.00 C ATOM 0 H ALA B 29 84.470 13.127 -3.545 1.00 0.00 H new ATOM 0 HA ALA B 29 83.970 13.740 -6.181 1.00 0.00 H new ATOM 0 HB1 ALA B 29 86.078 15.053 -6.039 1.00 0.00 H new ATOM 0 HB2 ALA B 29 85.104 15.224 -4.559 1.00 0.00 H new ATOM 0 HB3 ALA B 29 86.528 14.157 -4.569 1.00 0.00 H new ATOM 570 N ALA B 30 86.386 11.558 -5.864 1.00 0.00 N ATOM 571 CA ALA B 30 87.210 10.604 -6.601 1.00 0.00 C ATOM 572 C ALA B 30 86.341 9.667 -7.436 1.00 0.00 C ATOM 573 O ALA B 30 86.738 9.238 -8.520 1.00 0.00 O ATOM 574 CB ALA B 30 88.054 9.784 -5.625 1.00 0.00 C ATOM 0 H ALA B 30 86.460 11.488 -4.849 1.00 0.00 H new ATOM 0 HA ALA B 30 87.864 11.162 -7.271 1.00 0.00 H new ATOM 0 HB1 ALA B 30 88.666 9.074 -6.181 1.00 0.00 H new ATOM 0 HB2 ALA B 30 88.700 10.451 -5.053 1.00 0.00 H new ATOM 0 HB3 ALA B 30 87.398 9.242 -4.944 1.00 0.00 H new ATOM 580 N SER B 31 85.178 9.355 -6.932 1.00 0.00 N ATOM 581 CA SER B 31 84.264 8.462 -7.637 1.00 0.00 C ATOM 582 C SER B 31 83.931 9.009 -9.023 1.00 0.00 C ATOM 583 O SER B 31 83.878 8.262 -10.001 1.00 0.00 O ATOM 584 CB SER B 31 82.976 8.292 -6.831 1.00 0.00 C ATOM 585 OG SER B 31 82.277 7.148 -7.299 1.00 0.00 O ATOM 0 H SER B 31 84.830 9.699 -6.037 1.00 0.00 H new ATOM 0 HA SER B 31 84.753 7.495 -7.752 1.00 0.00 H new ATOM 0 HB2 SER B 31 83.208 8.182 -5.772 1.00 0.00 H new ATOM 0 HB3 SER B 31 82.351 9.180 -6.930 1.00 0.00 H new ATOM 0 HG SER B 31 81.451 7.035 -6.783 1.00 0.00 H new ATOM 591 N ILE B 32 83.709 10.292 -9.098 1.00 0.00 N ATOM 592 CA ILE B 32 83.377 10.931 -10.368 1.00 0.00 C ATOM 593 C ILE B 32 84.398 10.563 -11.441 1.00 0.00 C ATOM 594 O ILE B 32 84.056 10.420 -12.615 1.00 0.00 O ATOM 595 CB ILE B 32 83.357 12.452 -10.193 1.00 0.00 C ATOM 596 CG1 ILE B 32 82.550 12.822 -8.941 1.00 0.00 C ATOM 597 CG2 ILE B 32 82.722 13.104 -11.423 1.00 0.00 C ATOM 598 CD1 ILE B 32 81.180 12.136 -8.973 1.00 0.00 C ATOM 0 H ILE B 32 83.749 10.927 -8.301 1.00 0.00 H new ATOM 0 HA ILE B 32 82.393 10.581 -10.681 1.00 0.00 H new ATOM 0 HB ILE B 32 84.380 12.812 -10.080 1.00 0.00 H new ATOM 0 HG12 ILE B 32 83.095 12.521 -8.046 1.00 0.00 H new ATOM 0 HG13 ILE B 32 82.422 13.903 -8.888 1.00 0.00 H new ATOM 0 HG21 ILE B 32 82.709 14.186 -11.295 1.00 0.00 H new ATOM 0 HG22 ILE B 32 83.303 12.850 -12.310 1.00 0.00 H new ATOM 0 HG23 ILE B 32 81.701 12.741 -11.541 1.00 0.00 H new ATOM 0 HD11 ILE B 32 80.617 12.406 -8.080 1.00 0.00 H new ATOM 0 HD12 ILE B 32 80.632 12.458 -9.859 1.00 0.00 H new ATOM 0 HD13 ILE B 32 81.315 11.055 -9.004 1.00 0.00 H new ATOM 610 N ILE B 33 85.626 10.408 -11.034 1.00 0.00 N ATOM 611 CA ILE B 33 86.693 10.049 -11.963 1.00 0.00 C ATOM 612 C ILE B 33 86.528 8.601 -12.423 1.00 0.00 C ATOM 613 O ILE B 33 86.919 8.246 -13.536 1.00 0.00 O ATOM 614 CB ILE B 33 88.071 10.253 -11.301 1.00 0.00 C ATOM 615 CG1 ILE B 33 88.178 11.706 -10.783 1.00 0.00 C ATOM 616 CG2 ILE B 33 89.188 9.980 -12.326 1.00 0.00 C ATOM 617 CD1 ILE B 33 89.642 12.083 -10.512 1.00 0.00 C ATOM 0 H ILE B 33 85.927 10.522 -10.066 1.00 0.00 H new ATOM 0 HA ILE B 33 86.631 10.699 -12.836 1.00 0.00 H new ATOM 0 HB ILE B 33 88.180 9.561 -10.466 1.00 0.00 H new ATOM 0 HG12 ILE B 33 87.751 12.390 -11.516 1.00 0.00 H new ATOM 0 HG13 ILE B 33 87.595 11.815 -9.869 1.00 0.00 H new ATOM 0 HG21 ILE B 33 90.159 10.126 -11.853 1.00 0.00 H new ATOM 0 HG22 ILE B 33 89.109 8.954 -12.685 1.00 0.00 H new ATOM 0 HG23 ILE B 33 89.087 10.667 -13.166 1.00 0.00 H new ATOM 0 HD11 ILE B 33 89.692 13.109 -10.149 1.00 0.00 H new ATOM 0 HD12 ILE B 33 90.058 11.411 -9.761 1.00 0.00 H new ATOM 0 HD13 ILE B 33 90.217 11.996 -11.434 1.00 0.00 H new ATOM 629 N GLY B 34 85.962 7.781 -11.580 1.00 0.00 N ATOM 630 CA GLY B 34 85.761 6.375 -11.914 1.00 0.00 C ATOM 631 C GLY B 34 84.765 6.205 -13.057 1.00 0.00 C ATOM 632 O GLY B 34 85.026 5.473 -14.012 1.00 0.00 O ATOM 0 H GLY B 34 85.628 8.050 -10.655 1.00 0.00 H new ATOM 0 HA2 GLY B 34 86.715 5.927 -12.192 1.00 0.00 H new ATOM 0 HA3 GLY B 34 85.402 5.840 -11.035 1.00 0.00 H new ATOM 636 N ILE B 35 83.641 6.860 -12.955 1.00 0.00 N ATOM 637 CA ILE B 35 82.615 6.755 -13.988 1.00 0.00 C ATOM 638 C ILE B 35 83.146 7.262 -15.328 1.00 0.00 C ATOM 639 O ILE B 35 82.960 6.618 -16.360 1.00 0.00 O ATOM 640 CB ILE B 35 81.379 7.566 -13.584 1.00 0.00 C ATOM 641 CG1 ILE B 35 81.049 7.314 -12.107 1.00 0.00 C ATOM 642 CG2 ILE B 35 80.186 7.137 -14.441 1.00 0.00 C ATOM 643 CD1 ILE B 35 81.005 5.810 -11.828 1.00 0.00 C ATOM 0 H ILE B 35 83.401 7.473 -12.176 1.00 0.00 H new ATOM 0 HA ILE B 35 82.341 5.705 -14.094 1.00 0.00 H new ATOM 0 HB ILE B 35 81.584 8.626 -13.735 1.00 0.00 H new ATOM 0 HG12 ILE B 35 81.798 7.788 -11.473 1.00 0.00 H new ATOM 0 HG13 ILE B 35 80.089 7.766 -11.858 1.00 0.00 H new ATOM 0 HG21 ILE B 35 79.306 7.713 -14.154 1.00 0.00 H new ATOM 0 HG22 ILE B 35 80.410 7.316 -15.493 1.00 0.00 H new ATOM 0 HG23 ILE B 35 79.990 6.076 -14.287 1.00 0.00 H new ATOM 0 HD11 ILE B 35 80.770 5.642 -10.777 1.00 0.00 H new ATOM 0 HD12 ILE B 35 80.239 5.347 -12.450 1.00 0.00 H new ATOM 0 HD13 ILE B 35 81.975 5.369 -12.058 1.00 0.00 H new ATOM 655 N LEU B 36 83.793 8.396 -15.307 1.00 0.00 N ATOM 656 CA LEU B 36 84.338 8.968 -16.535 1.00 0.00 C ATOM 657 C LEU B 36 85.197 7.931 -17.256 1.00 0.00 C ATOM 658 O LEU B 36 85.131 7.791 -18.478 1.00 0.00 O ATOM 659 CB LEU B 36 85.172 10.213 -16.203 1.00 0.00 C ATOM 660 CG LEU B 36 85.868 10.748 -17.465 1.00 0.00 C ATOM 661 CD1 LEU B 36 84.838 10.989 -18.578 1.00 0.00 C ATOM 662 CD2 LEU B 36 86.567 12.069 -17.124 1.00 0.00 C ATOM 0 H LEU B 36 83.961 8.948 -14.466 1.00 0.00 H new ATOM 0 HA LEU B 36 83.517 9.259 -17.191 1.00 0.00 H new ATOM 0 HB2 LEU B 36 84.530 10.985 -15.780 1.00 0.00 H new ATOM 0 HB3 LEU B 36 85.917 9.968 -15.446 1.00 0.00 H new ATOM 0 HG LEU B 36 86.597 10.016 -17.813 1.00 0.00 H new ATOM 0 HD11 LEU B 36 85.344 11.368 -19.466 1.00 0.00 H new ATOM 0 HD12 LEU B 36 84.336 10.052 -18.818 1.00 0.00 H new ATOM 0 HD13 LEU B 36 84.102 11.719 -18.241 1.00 0.00 H new ATOM 0 HD21 LEU B 36 87.064 12.458 -18.013 1.00 0.00 H new ATOM 0 HD22 LEU B 36 85.829 12.792 -16.776 1.00 0.00 H new ATOM 0 HD23 LEU B 36 87.305 11.898 -16.341 1.00 0.00 H new ATOM 674 N HIS B 37 85.984 7.225 -16.497 1.00 0.00 N ATOM 675 CA HIS B 37 86.864 6.194 -17.044 1.00 0.00 C ATOM 676 C HIS B 37 86.089 5.250 -17.966 1.00 0.00 C ATOM 677 O HIS B 37 86.558 4.903 -19.049 1.00 0.00 O ATOM 678 CB HIS B 37 87.469 5.400 -15.878 1.00 0.00 C ATOM 679 CG HIS B 37 88.721 4.680 -16.303 1.00 0.00 C ATOM 680 ND1 HIS B 37 88.764 3.840 -17.405 1.00 0.00 N ATOM 681 CD2 HIS B 37 89.979 4.645 -15.756 1.00 0.00 C ATOM 682 CE1 HIS B 37 90.013 3.339 -17.483 1.00 0.00 C ATOM 683 NE2 HIS B 37 90.792 3.797 -16.500 1.00 0.00 N ATOM 0 H HIS B 37 86.045 7.335 -15.485 1.00 0.00 H new ATOM 0 HA HIS B 37 87.652 6.667 -17.630 1.00 0.00 H new ATOM 0 HB2 HIS B 37 87.697 6.076 -15.054 1.00 0.00 H new ATOM 0 HB3 HIS B 37 86.740 4.680 -15.508 1.00 0.00 H new ATOM 0 HD2 HIS B 37 90.291 5.194 -14.879 1.00 0.00 H new ATOM 0 HE1 HIS B 37 90.343 2.651 -18.247 1.00 0.00 H new ATOM 0 HE2 HIS B 37 91.773 3.573 -16.331 1.00 0.00 H new ATOM 692 N PHE B 38 84.930 4.842 -17.528 1.00 0.00 N ATOM 693 CA PHE B 38 84.099 3.930 -18.311 1.00 0.00 C ATOM 694 C PHE B 38 83.595 4.590 -19.591 1.00 0.00 C ATOM 695 O PHE B 38 83.564 3.959 -20.648 1.00 0.00 O ATOM 696 CB PHE B 38 82.906 3.469 -17.474 1.00 0.00 C ATOM 697 CG PHE B 38 82.156 2.392 -18.222 1.00 0.00 C ATOM 698 CD1 PHE B 38 82.568 1.059 -18.126 1.00 0.00 C ATOM 699 CD2 PHE B 38 81.050 2.728 -19.012 1.00 0.00 C ATOM 700 CE1 PHE B 38 81.876 0.060 -18.820 1.00 0.00 C ATOM 701 CE2 PHE B 38 80.357 1.731 -19.707 1.00 0.00 C ATOM 702 CZ PHE B 38 80.770 0.396 -19.611 1.00 0.00 C ATOM 0 H PHE B 38 84.527 5.120 -16.633 1.00 0.00 H new ATOM 0 HA PHE B 38 84.714 3.074 -18.588 1.00 0.00 H new ATOM 0 HB2 PHE B 38 83.248 3.088 -16.512 1.00 0.00 H new ATOM 0 HB3 PHE B 38 82.246 4.311 -17.267 1.00 0.00 H new ATOM 0 HD1 PHE B 38 83.421 0.800 -17.516 1.00 0.00 H new ATOM 0 HD2 PHE B 38 80.732 3.757 -19.085 1.00 0.00 H new ATOM 0 HE1 PHE B 38 82.195 -0.969 -18.746 1.00 0.00 H new ATOM 0 HE2 PHE B 38 79.504 1.990 -20.317 1.00 0.00 H new ATOM 0 HZ PHE B 38 80.236 -0.374 -20.147 1.00 0.00 H new ATOM 712 N ILE B 39 83.192 5.827 -19.494 1.00 0.00 N ATOM 713 CA ILE B 39 82.675 6.535 -20.660 1.00 0.00 C ATOM 714 C ILE B 39 83.734 6.629 -21.753 1.00 0.00 C ATOM 715 O ILE B 39 83.443 6.396 -22.921 1.00 0.00 O ATOM 716 CB ILE B 39 82.204 7.940 -20.266 1.00 0.00 C ATOM 717 CG1 ILE B 39 80.967 7.820 -19.371 1.00 0.00 C ATOM 718 CG2 ILE B 39 81.843 8.737 -21.527 1.00 0.00 C ATOM 719 CD1 ILE B 39 80.626 9.190 -18.781 1.00 0.00 C ATOM 0 H ILE B 39 83.206 6.373 -18.632 1.00 0.00 H new ATOM 0 HA ILE B 39 81.827 5.972 -21.048 1.00 0.00 H new ATOM 0 HB ILE B 39 83.001 8.455 -19.730 1.00 0.00 H new ATOM 0 HG12 ILE B 39 80.123 7.441 -19.948 1.00 0.00 H new ATOM 0 HG13 ILE B 39 81.153 7.104 -18.570 1.00 0.00 H new ATOM 0 HG21 ILE B 39 81.509 9.735 -21.243 1.00 0.00 H new ATOM 0 HG22 ILE B 39 82.719 8.817 -22.170 1.00 0.00 H new ATOM 0 HG23 ILE B 39 81.044 8.226 -22.064 1.00 0.00 H new ATOM 0 HD11 ILE B 39 79.746 9.103 -18.144 1.00 0.00 H new ATOM 0 HD12 ILE B 39 81.467 9.551 -18.189 1.00 0.00 H new ATOM 0 HD13 ILE B 39 80.422 9.893 -19.588 1.00 0.00 H new ATOM 731 N ALA B 40 84.935 6.972 -21.386 1.00 0.00 N ATOM 732 CA ALA B 40 86.005 7.090 -22.369 1.00 0.00 C ATOM 733 C ALA B 40 86.361 5.717 -22.939 1.00 0.00 C ATOM 734 O ALA B 40 86.673 5.584 -24.122 1.00 0.00 O ATOM 735 CB ALA B 40 87.235 7.721 -21.717 1.00 0.00 C ATOM 0 H ALA B 40 85.210 7.176 -20.425 1.00 0.00 H new ATOM 0 HA ALA B 40 85.664 7.726 -23.186 1.00 0.00 H new ATOM 0 HB1 ALA B 40 88.033 7.808 -22.454 1.00 0.00 H new ATOM 0 HB2 ALA B 40 86.979 8.711 -21.340 1.00 0.00 H new ATOM 0 HB3 ALA B 40 87.571 7.094 -20.891 1.00 0.00 H new ATOM 741 N TRP B 41 86.317 4.724 -22.095 1.00 0.00 N ATOM 742 CA TRP B 41 86.640 3.354 -22.494 1.00 0.00 C ATOM 743 C TRP B 41 85.887 2.946 -23.762 1.00 0.00 C ATOM 744 O TRP B 41 86.408 2.200 -24.592 1.00 0.00 O ATOM 745 CB TRP B 41 86.256 2.398 -21.358 1.00 0.00 C ATOM 746 CG TRP B 41 86.926 1.074 -21.548 1.00 0.00 C ATOM 747 CD1 TRP B 41 86.664 0.197 -22.546 1.00 0.00 C ATOM 748 CD2 TRP B 41 87.956 0.460 -20.726 1.00 0.00 C ATOM 749 NE1 TRP B 41 87.485 -0.905 -22.396 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.297 -0.789 -21.288 1.00 0.00 C ATOM 751 CE3 TRP B 41 88.624 0.870 -19.561 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.270 -1.605 -20.714 1.00 0.00 C ATOM 753 CZ3 TRP B 41 89.603 0.048 -18.978 1.00 0.00 C ATOM 754 CH2 TRP B 41 89.925 -1.185 -19.554 1.00 0.00 C ATOM 0 H TRP B 41 86.059 4.825 -21.113 1.00 0.00 H new ATOM 0 HA TRP B 41 87.709 3.302 -22.699 1.00 0.00 H new ATOM 0 HB2 TRP B 41 86.546 2.826 -20.399 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.174 2.266 -21.334 1.00 0.00 H new ATOM 0 HD1 TRP B 41 85.934 0.336 -23.330 1.00 0.00 H new ATOM 0 HE1 TRP B 41 87.489 -1.706 -23.028 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.384 1.822 -19.111 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 89.516 -2.556 -21.163 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 90.110 0.370 -18.080 1.00 0.00 H new ATOM 0 HH2 TRP B 41 90.680 -1.812 -19.102 1.00 0.00 H new ATOM 765 N THR B 42 84.686 3.429 -23.898 1.00 0.00 N ATOM 766 CA THR B 42 83.867 3.096 -25.064 1.00 0.00 C ATOM 767 C THR B 42 84.619 3.366 -26.368 1.00 0.00 C ATOM 768 O THR B 42 84.533 2.586 -27.315 1.00 0.00 O ATOM 769 CB THR B 42 82.562 3.898 -25.050 1.00 0.00 C ATOM 770 OG1 THR B 42 82.854 5.270 -24.850 1.00 0.00 O ATOM 771 CG2 THR B 42 81.660 3.394 -23.923 1.00 0.00 C ATOM 0 H THR B 42 84.239 4.054 -23.227 1.00 0.00 H new ATOM 0 HA THR B 42 83.638 2.032 -25.010 1.00 0.00 H new ATOM 0 HB THR B 42 82.049 3.772 -26.003 1.00 0.00 H new ATOM 0 HG1 THR B 42 83.130 5.414 -23.921 1.00 0.00 H new ATOM 0 HG21 THR B 42 80.733 3.967 -23.916 1.00 0.00 H new ATOM 0 HG22 THR B 42 81.434 2.339 -24.082 1.00 0.00 H new ATOM 0 HG23 THR B 42 82.169 3.516 -22.967 1.00 0.00 H new ATOM 779 N ILE B 43 85.328 4.459 -26.417 1.00 0.00 N ATOM 780 CA ILE B 43 86.071 4.819 -27.623 1.00 0.00 C ATOM 781 C ILE B 43 87.146 3.774 -27.942 1.00 0.00 C ATOM 782 O ILE B 43 87.242 3.298 -29.072 1.00 0.00 O ATOM 783 CB ILE B 43 86.713 6.207 -27.446 1.00 0.00 C ATOM 784 CG1 ILE B 43 85.627 7.292 -27.508 1.00 0.00 C ATOM 785 CG2 ILE B 43 87.733 6.468 -28.561 1.00 0.00 C ATOM 786 CD1 ILE B 43 84.646 7.129 -26.346 1.00 0.00 C ATOM 0 H ILE B 43 85.416 5.122 -25.647 1.00 0.00 H new ATOM 0 HA ILE B 43 85.373 4.849 -28.460 1.00 0.00 H new ATOM 0 HB ILE B 43 87.216 6.235 -26.479 1.00 0.00 H new ATOM 0 HG12 ILE B 43 86.087 8.279 -27.468 1.00 0.00 H new ATOM 0 HG13 ILE B 43 85.093 7.227 -28.456 1.00 0.00 H new ATOM 0 HG21 ILE B 43 88.179 7.453 -28.423 1.00 0.00 H new ATOM 0 HG22 ILE B 43 88.514 5.708 -28.525 1.00 0.00 H new ATOM 0 HG23 ILE B 43 87.232 6.429 -29.528 1.00 0.00 H new ATOM 0 HD11 ILE B 43 83.882 7.905 -26.403 1.00 0.00 H new ATOM 0 HD12 ILE B 43 84.173 6.149 -26.404 1.00 0.00 H new ATOM 0 HD13 ILE B 43 85.183 7.217 -25.401 1.00 0.00 H new ATOM 798 N GLY B 44 87.942 3.438 -26.964 1.00 0.00 N ATOM 799 CA GLY B 44 89.014 2.463 -27.161 1.00 0.00 C ATOM 800 C GLY B 44 88.509 1.186 -27.830 1.00 0.00 C ATOM 801 O GLY B 44 89.255 0.512 -28.538 1.00 0.00 O ATOM 0 H GLY B 44 87.880 3.817 -26.019 1.00 0.00 H new ATOM 0 HA2 GLY B 44 89.800 2.906 -27.773 1.00 0.00 H new ATOM 0 HA3 GLY B 44 89.461 2.216 -26.198 1.00 0.00 H new ATOM 805 N HIS B 45 87.269 0.857 -27.598 1.00 0.00 N ATOM 806 CA HIS B 45 86.678 -0.349 -28.173 1.00 0.00 C ATOM 807 C HIS B 45 86.693 -0.317 -29.702 1.00 0.00 C ATOM 808 O HIS B 45 86.688 -1.365 -30.348 1.00 0.00 O ATOM 809 CB HIS B 45 85.237 -0.509 -27.685 1.00 0.00 C ATOM 810 CG HIS B 45 84.721 -1.864 -28.084 1.00 0.00 C ATOM 811 ND1 HIS B 45 83.767 -2.031 -29.077 1.00 0.00 N ATOM 812 CD2 HIS B 45 85.017 -3.127 -27.633 1.00 0.00 C ATOM 813 CE1 HIS B 45 83.526 -3.350 -29.190 1.00 0.00 C ATOM 814 NE2 HIS B 45 84.261 -4.063 -28.333 1.00 0.00 N ATOM 0 H HIS B 45 86.634 1.401 -27.014 1.00 0.00 H new ATOM 0 HA HIS B 45 87.280 -1.196 -27.845 1.00 0.00 H new ATOM 0 HB2 HIS B 45 85.194 -0.396 -26.602 1.00 0.00 H new ATOM 0 HB3 HIS B 45 84.608 0.272 -28.112 1.00 0.00 H new ATOM 0 HD2 HIS B 45 85.728 -3.359 -26.854 1.00 0.00 H new ATOM 0 HE1 HIS B 45 82.824 -3.780 -29.889 1.00 0.00 H new ATOM 0 HE2 HIS B 45 84.267 -5.076 -28.216 1.00 0.00 H new ATOM 823 N LEU B 46 86.658 0.859 -30.266 1.00 0.00 N ATOM 824 CA LEU B 46 86.611 0.990 -31.721 1.00 0.00 C ATOM 825 C LEU B 46 87.641 0.087 -32.409 1.00 0.00 C ATOM 826 O LEU B 46 87.414 -0.365 -33.531 1.00 0.00 O ATOM 827 CB LEU B 46 86.819 2.471 -32.125 1.00 0.00 C ATOM 828 CG LEU B 46 88.329 2.838 -32.215 1.00 0.00 C ATOM 829 CD1 LEU B 46 88.851 2.639 -33.657 1.00 0.00 C ATOM 830 CD2 LEU B 46 88.535 4.307 -31.800 1.00 0.00 C ATOM 0 H LEU B 46 86.661 1.743 -29.756 1.00 0.00 H new ATOM 0 HA LEU B 46 85.626 0.664 -32.057 1.00 0.00 H new ATOM 0 HB2 LEU B 46 86.342 2.656 -33.087 1.00 0.00 H new ATOM 0 HB3 LEU B 46 86.330 3.119 -31.397 1.00 0.00 H new ATOM 0 HG LEU B 46 88.883 2.183 -31.543 1.00 0.00 H new ATOM 0 HD11 LEU B 46 89.908 2.900 -33.701 1.00 0.00 H new ATOM 0 HD12 LEU B 46 88.723 1.597 -33.950 1.00 0.00 H new ATOM 0 HD13 LEU B 46 88.291 3.279 -34.338 1.00 0.00 H new ATOM 0 HD21 LEU B 46 89.594 4.558 -31.865 1.00 0.00 H new ATOM 0 HD22 LEU B 46 87.966 4.956 -32.466 1.00 0.00 H new ATOM 0 HD23 LEU B 46 88.191 4.447 -30.775 1.00 0.00 H new ATOM 842 N ASN B 47 88.750 -0.158 -31.769 1.00 0.00 N ATOM 843 CA ASN B 47 89.794 -0.993 -32.365 1.00 0.00 C ATOM 844 C ASN B 47 89.299 -2.412 -32.679 1.00 0.00 C ATOM 845 O ASN B 47 89.520 -2.919 -33.779 1.00 0.00 O ATOM 846 CB ASN B 47 90.993 -1.070 -31.418 1.00 0.00 C ATOM 847 CG ASN B 47 91.712 0.276 -31.378 1.00 0.00 C ATOM 848 OD1 ASN B 47 91.078 1.323 -31.510 1.00 0.00 O ATOM 849 ND2 ASN B 47 93.005 0.311 -31.203 1.00 0.00 N ATOM 0 H ASN B 47 88.968 0.199 -30.839 1.00 0.00 H new ATOM 0 HA ASN B 47 90.083 -0.529 -33.308 1.00 0.00 H new ATOM 0 HB2 ASN B 47 90.660 -1.344 -30.417 1.00 0.00 H new ATOM 0 HB3 ASN B 47 91.680 -1.849 -31.749 1.00 0.00 H new ATOM 0 HD21 ASN B 47 93.492 1.207 -31.175 1.00 0.00 H new ATOM 0 HD22 ASN B 47 93.529 -0.558 -31.094 1.00 0.00 H new ATOM 856 N GLN B 48 88.663 -3.044 -31.728 1.00 0.00 N ATOM 857 CA GLN B 48 88.170 -4.409 -31.916 1.00 0.00 C ATOM 858 C GLN B 48 87.114 -4.488 -33.016 1.00 0.00 C ATOM 859 O GLN B 48 87.236 -5.279 -33.951 1.00 0.00 O ATOM 860 CB GLN B 48 87.580 -4.927 -30.596 1.00 0.00 C ATOM 861 CG GLN B 48 87.543 -6.461 -30.596 1.00 0.00 C ATOM 862 CD GLN B 48 86.559 -6.965 -31.648 1.00 0.00 C ATOM 863 OE1 GLN B 48 86.971 -7.479 -32.688 1.00 0.00 O ATOM 864 NE2 GLN B 48 85.275 -6.850 -31.437 1.00 0.00 N ATOM 0 H GLN B 48 88.467 -2.646 -30.809 1.00 0.00 H new ATOM 0 HA GLN B 48 89.013 -5.029 -32.221 1.00 0.00 H new ATOM 0 HB2 GLN B 48 88.178 -4.571 -29.758 1.00 0.00 H new ATOM 0 HB3 GLN B 48 86.573 -4.532 -30.460 1.00 0.00 H new ATOM 0 HG2 GLN B 48 88.538 -6.856 -30.800 1.00 0.00 H new ATOM 0 HG3 GLN B 48 87.251 -6.825 -29.611 1.00 0.00 H new ATOM 0 HE21 GLN B 48 84.936 -6.424 -30.575 1.00 0.00 H new ATOM 0 HE22 GLN B 48 84.611 -7.186 -32.135 1.00 0.00 H new ATOM 873 N ILE B 49 86.096 -3.694 -32.889 1.00 0.00 N ATOM 874 CA ILE B 49 85.015 -3.698 -33.877 1.00 0.00 C ATOM 875 C ILE B 49 85.550 -3.380 -35.283 1.00 0.00 C ATOM 876 O ILE B 49 85.550 -4.253 -36.152 1.00 0.00 O ATOM 877 CB ILE B 49 83.871 -2.733 -33.471 1.00 0.00 C ATOM 878 CG1 ILE B 49 82.972 -2.437 -34.680 1.00 0.00 C ATOM 879 CG2 ILE B 49 84.416 -1.412 -32.920 1.00 0.00 C ATOM 880 CD1 ILE B 49 81.689 -1.751 -34.213 1.00 0.00 C ATOM 0 H ILE B 49 85.974 -3.032 -32.123 1.00 0.00 H new ATOM 0 HA ILE B 49 84.594 -4.703 -33.904 1.00 0.00 H new ATOM 0 HB ILE B 49 83.294 -3.225 -32.688 1.00 0.00 H new ATOM 0 HG12 ILE B 49 83.499 -1.799 -35.390 1.00 0.00 H new ATOM 0 HG13 ILE B 49 82.731 -3.363 -35.202 1.00 0.00 H new ATOM 0 HG21 ILE B 49 83.585 -0.762 -32.646 1.00 0.00 H new ATOM 0 HG22 ILE B 49 85.027 -1.610 -32.040 1.00 0.00 H new ATOM 0 HG23 ILE B 49 85.024 -0.923 -33.682 1.00 0.00 H new ATOM 0 HD11 ILE B 49 81.054 -1.543 -35.074 1.00 0.00 H new ATOM 0 HD12 ILE B 49 81.159 -2.404 -33.520 1.00 0.00 H new ATOM 0 HD13 ILE B 49 81.938 -0.816 -33.711 1.00 0.00 H new ATOM 967 N PRO C 25 94.870 8.863 5.412 1.00 0.00 N ATOM 968 CA PRO C 25 95.007 9.412 4.028 1.00 0.00 C ATOM 969 C PRO C 25 95.400 8.333 3.015 1.00 0.00 C ATOM 970 O PRO C 25 95.765 8.639 1.881 1.00 0.00 O ATOM 971 CB PRO C 25 96.118 10.460 4.180 1.00 0.00 C ATOM 972 CG PRO C 25 96.970 9.944 5.294 1.00 0.00 C ATOM 973 CD PRO C 25 96.014 9.238 6.262 1.00 0.00 C ATOM 0 HA PRO C 25 94.072 9.821 3.646 1.00 0.00 H new ATOM 0 HB2 PRO C 25 96.691 10.567 3.259 1.00 0.00 H new ATOM 0 HB3 PRO C 25 95.708 11.442 4.416 1.00 0.00 H new ATOM 0 HG2 PRO C 25 97.727 9.254 4.920 1.00 0.00 H new ATOM 0 HG3 PRO C 25 97.498 10.758 5.791 1.00 0.00 H new ATOM 0 HD2 PRO C 25 96.479 8.363 6.717 1.00 0.00 H new ATOM 0 HD3 PRO C 25 95.710 9.896 7.076 1.00 0.00 H new ATOM 981 N LEU C 26 95.329 7.099 3.431 1.00 0.00 N ATOM 982 CA LEU C 26 95.686 5.985 2.557 1.00 0.00 C ATOM 983 C LEU C 26 94.738 5.897 1.364 1.00 0.00 C ATOM 984 O LEU C 26 95.175 5.767 0.221 1.00 0.00 O ATOM 985 CB LEU C 26 95.646 4.674 3.356 1.00 0.00 C ATOM 986 CG LEU C 26 95.893 3.467 2.437 1.00 0.00 C ATOM 987 CD1 LEU C 26 97.219 3.637 1.684 1.00 0.00 C ATOM 988 CD2 LEU C 26 95.947 2.194 3.290 1.00 0.00 C ATOM 0 H LEU C 26 95.029 6.826 4.367 1.00 0.00 H new ATOM 0 HA LEU C 26 96.693 6.153 2.176 1.00 0.00 H new ATOM 0 HB2 LEU C 26 96.401 4.699 4.142 1.00 0.00 H new ATOM 0 HB3 LEU C 26 94.678 4.571 3.847 1.00 0.00 H new ATOM 0 HG LEU C 26 95.084 3.395 1.710 1.00 0.00 H new ATOM 0 HD11 LEU C 26 97.383 2.776 1.036 1.00 0.00 H new ATOM 0 HD12 LEU C 26 97.181 4.543 1.080 1.00 0.00 H new ATOM 0 HD13 LEU C 26 98.037 3.713 2.400 1.00 0.00 H new ATOM 0 HD21 LEU C 26 96.122 1.332 2.646 1.00 0.00 H new ATOM 0 HD22 LEU C 26 96.757 2.276 4.015 1.00 0.00 H new ATOM 0 HD23 LEU C 26 95.001 2.068 3.816 1.00 0.00 H new ATOM 1000 N VAL C 27 93.463 5.955 1.632 1.00 0.00 N ATOM 1001 CA VAL C 27 92.463 5.867 0.573 1.00 0.00 C ATOM 1002 C VAL C 27 92.466 7.123 -0.296 1.00 0.00 C ATOM 1003 O VAL C 27 92.331 7.043 -1.516 1.00 0.00 O ATOM 1004 CB VAL C 27 91.075 5.668 1.185 1.00 0.00 C ATOM 1005 CG1 VAL C 27 90.058 5.398 0.074 1.00 0.00 C ATOM 1006 CG2 VAL C 27 91.110 4.475 2.144 1.00 0.00 C ATOM 0 H VAL C 27 93.079 6.063 2.571 1.00 0.00 H new ATOM 0 HA VAL C 27 92.712 5.014 -0.058 1.00 0.00 H new ATOM 0 HB VAL C 27 90.786 6.567 1.729 1.00 0.00 H new ATOM 0 HG11 VAL C 27 89.070 5.256 0.512 1.00 0.00 H new ATOM 0 HG12 VAL C 27 90.034 6.246 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL C 27 90.345 4.499 -0.472 1.00 0.00 H new ATOM 0 HG21 VAL C 27 90.122 4.331 2.582 1.00 0.00 H new ATOM 0 HG22 VAL C 27 91.399 3.577 1.598 1.00 0.00 H new ATOM 0 HG23 VAL C 27 91.833 4.666 2.936 1.00 0.00 H new ATOM 1016 N VAL C 28 92.613 8.258 0.328 1.00 0.00 N ATOM 1017 CA VAL C 28 92.626 9.521 -0.404 1.00 0.00 C ATOM 1018 C VAL C 28 93.894 9.647 -1.246 1.00 0.00 C ATOM 1019 O VAL C 28 93.843 10.062 -2.404 1.00 0.00 O ATOM 1020 CB VAL C 28 92.536 10.697 0.571 1.00 0.00 C ATOM 1021 CG1 VAL C 28 92.635 12.016 -0.203 1.00 0.00 C ATOM 1022 CG2 VAL C 28 91.201 10.637 1.318 1.00 0.00 C ATOM 0 H VAL C 28 92.726 8.349 1.338 1.00 0.00 H new ATOM 0 HA VAL C 28 91.763 9.537 -1.069 1.00 0.00 H new ATOM 0 HB VAL C 28 93.356 10.639 1.287 1.00 0.00 H new ATOM 0 HG11 VAL C 28 92.571 12.852 0.493 1.00 0.00 H new ATOM 0 HG12 VAL C 28 93.587 12.057 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL C 28 91.818 12.078 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL C 28 91.135 11.474 2.013 1.00 0.00 H new ATOM 0 HG22 VAL C 28 90.381 10.694 0.602 1.00 0.00 H new ATOM 0 HG23 VAL C 28 91.135 9.700 1.871 1.00 0.00 H new ATOM 1032 N ALA C 29 95.008 9.303 -0.663 1.00 0.00 N ATOM 1033 CA ALA C 29 96.284 9.392 -1.365 1.00 0.00 C ATOM 1034 C ALA C 29 96.212 8.692 -2.719 1.00 0.00 C ATOM 1035 O ALA C 29 96.710 9.206 -3.717 1.00 0.00 O ATOM 1036 CB ALA C 29 97.394 8.763 -0.521 1.00 0.00 C ATOM 0 H ALA C 29 95.072 8.957 0.295 1.00 0.00 H new ATOM 0 HA ALA C 29 96.506 10.446 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.342 8.835 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA C 29 97.472 9.291 0.430 1.00 0.00 H new ATOM 0 HB3 ALA C 29 97.161 7.715 -0.336 1.00 0.00 H new ATOM 1042 N ALA C 30 95.605 7.537 -2.744 1.00 0.00 N ATOM 1043 CA ALA C 30 95.481 6.776 -3.984 1.00 0.00 C ATOM 1044 C ALA C 30 94.699 7.563 -5.037 1.00 0.00 C ATOM 1045 O ALA C 30 94.908 7.389 -6.237 1.00 0.00 O ATOM 1046 CB ALA C 30 94.775 5.447 -3.710 1.00 0.00 C ATOM 0 H ALA C 30 95.185 7.092 -1.928 1.00 0.00 H new ATOM 0 HA ALA C 30 96.484 6.588 -4.368 1.00 0.00 H new ATOM 0 HB1 ALA C 30 94.686 4.884 -4.639 1.00 0.00 H new ATOM 0 HB2 ALA C 30 95.354 4.869 -2.990 1.00 0.00 H new ATOM 0 HB3 ALA C 30 93.781 5.640 -3.305 1.00 0.00 H new ATOM 1052 N SER C 31 93.806 8.399 -4.586 1.00 0.00 N ATOM 1053 CA SER C 31 92.984 9.198 -5.492 1.00 0.00 C ATOM 1054 C SER C 31 93.841 9.938 -6.521 1.00 0.00 C ATOM 1055 O SER C 31 93.498 9.992 -7.702 1.00 0.00 O ATOM 1056 CB SER C 31 92.164 10.207 -4.688 1.00 0.00 C ATOM 1057 OG SER C 31 91.083 10.674 -5.484 1.00 0.00 O ATOM 0 H SER C 31 93.618 8.555 -3.596 1.00 0.00 H new ATOM 0 HA SER C 31 92.319 8.521 -6.029 1.00 0.00 H new ATOM 0 HB2 SER C 31 91.786 9.742 -3.777 1.00 0.00 H new ATOM 0 HB3 SER C 31 92.793 11.043 -4.382 1.00 0.00 H new ATOM 0 HG SER C 31 90.651 11.431 -5.037 1.00 0.00 H new ATOM 1063 N ILE C 32 94.925 10.508 -6.072 1.00 0.00 N ATOM 1064 CA ILE C 32 95.811 11.260 -6.962 1.00 0.00 C ATOM 1065 C ILE C 32 96.149 10.457 -8.220 1.00 0.00 C ATOM 1066 O ILE C 32 96.404 11.027 -9.281 1.00 0.00 O ATOM 1067 CB ILE C 32 97.105 11.622 -6.213 1.00 0.00 C ATOM 1068 CG1 ILE C 32 97.856 12.731 -6.972 1.00 0.00 C ATOM 1069 CG2 ILE C 32 98.012 10.383 -6.096 1.00 0.00 C ATOM 1070 CD1 ILE C 32 97.083 14.059 -6.911 1.00 0.00 C ATOM 0 H ILE C 32 95.229 10.475 -5.099 1.00 0.00 H new ATOM 0 HA ILE C 32 95.294 12.169 -7.271 1.00 0.00 H new ATOM 0 HB ILE C 32 96.845 11.975 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE C 32 98.849 12.863 -6.542 1.00 0.00 H new ATOM 0 HG13 ILE C 32 97.996 12.435 -8.012 1.00 0.00 H new ATOM 0 HG21 ILE C 32 98.925 10.650 -5.564 1.00 0.00 H new ATOM 0 HG22 ILE C 32 97.489 9.599 -5.548 1.00 0.00 H new ATOM 0 HG23 ILE C 32 98.265 10.022 -7.093 1.00 0.00 H new ATOM 0 HD11 ILE C 32 97.634 14.826 -7.455 1.00 0.00 H new ATOM 0 HD12 ILE C 32 96.100 13.929 -7.364 1.00 0.00 H new ATOM 0 HD13 ILE C 32 96.966 14.364 -5.871 1.00 0.00 H new ATOM 1082 N ILE C 33 96.164 9.159 -8.092 1.00 0.00 N ATOM 1083 CA ILE C 33 96.492 8.286 -9.216 1.00 0.00 C ATOM 1084 C ILE C 33 95.387 8.321 -10.276 1.00 0.00 C ATOM 1085 O ILE C 33 95.655 8.139 -11.465 1.00 0.00 O ATOM 1086 CB ILE C 33 96.704 6.840 -8.716 1.00 0.00 C ATOM 1087 CG1 ILE C 33 97.793 6.833 -7.621 1.00 0.00 C ATOM 1088 CG2 ILE C 33 97.144 5.937 -9.886 1.00 0.00 C ATOM 1089 CD1 ILE C 33 98.289 5.405 -7.358 1.00 0.00 C ATOM 0 H ILE C 33 95.954 8.668 -7.223 1.00 0.00 H new ATOM 0 HA ILE C 33 97.414 8.646 -9.673 1.00 0.00 H new ATOM 0 HB ILE C 33 95.768 6.460 -8.306 1.00 0.00 H new ATOM 0 HG12 ILE C 33 98.628 7.463 -7.928 1.00 0.00 H new ATOM 0 HG13 ILE C 33 97.393 7.260 -6.701 1.00 0.00 H new ATOM 0 HG21 ILE C 33 97.291 4.919 -9.525 1.00 0.00 H new ATOM 0 HG22 ILE C 33 96.374 5.940 -10.658 1.00 0.00 H new ATOM 0 HG23 ILE C 33 98.078 6.312 -10.304 1.00 0.00 H new ATOM 0 HD11 ILE C 33 99.056 5.423 -6.583 1.00 0.00 H new ATOM 0 HD12 ILE C 33 97.455 4.785 -7.029 1.00 0.00 H new ATOM 0 HD13 ILE C 33 98.709 4.991 -8.275 1.00 0.00 H new ATOM 1101 N GLY C 34 94.172 8.534 -9.857 1.00 0.00 N ATOM 1102 CA GLY C 34 93.050 8.561 -10.794 1.00 0.00 C ATOM 1103 C GLY C 34 93.137 9.733 -11.769 1.00 0.00 C ATOM 1104 O GLY C 34 92.997 9.554 -12.977 1.00 0.00 O ATOM 0 H GLY C 34 93.919 8.692 -8.882 1.00 0.00 H new ATOM 0 HA2 GLY C 34 93.025 7.626 -11.354 1.00 0.00 H new ATOM 0 HA3 GLY C 34 92.115 8.624 -10.237 1.00 0.00 H new ATOM 1108 N ILE C 35 93.351 10.907 -11.255 1.00 0.00 N ATOM 1109 CA ILE C 35 93.438 12.090 -12.104 1.00 0.00 C ATOM 1110 C ILE C 35 94.672 12.024 -13.004 1.00 0.00 C ATOM 1111 O ILE C 35 94.681 12.588 -14.099 1.00 0.00 O ATOM 1112 CB ILE C 35 93.486 13.348 -11.229 1.00 0.00 C ATOM 1113 CG1 ILE C 35 93.678 14.603 -12.097 1.00 0.00 C ATOM 1114 CG2 ILE C 35 94.646 13.234 -10.241 1.00 0.00 C ATOM 1115 CD1 ILE C 35 92.578 14.686 -13.163 1.00 0.00 C ATOM 0 H ILE C 35 93.470 11.086 -10.258 1.00 0.00 H new ATOM 0 HA ILE C 35 92.556 12.128 -12.743 1.00 0.00 H new ATOM 0 HB ILE C 35 92.543 13.435 -10.689 1.00 0.00 H new ATOM 0 HG12 ILE C 35 93.654 15.494 -11.470 1.00 0.00 H new ATOM 0 HG13 ILE C 35 94.657 14.576 -12.576 1.00 0.00 H new ATOM 0 HG21 ILE C 35 94.682 14.127 -9.618 1.00 0.00 H new ATOM 0 HG22 ILE C 35 94.502 12.357 -9.610 1.00 0.00 H new ATOM 0 HG23 ILE C 35 95.583 13.136 -10.790 1.00 0.00 H new ATOM 0 HD11 ILE C 35 92.726 15.579 -13.770 1.00 0.00 H new ATOM 0 HD12 ILE C 35 92.621 13.803 -13.800 1.00 0.00 H new ATOM 0 HD13 ILE C 35 91.604 14.735 -12.677 1.00 0.00 H new ATOM 1127 N LEU C 36 95.698 11.365 -12.539 1.00 0.00 N ATOM 1128 CA LEU C 36 96.937 11.258 -13.304 1.00 0.00 C ATOM 1129 C LEU C 36 96.723 10.532 -14.636 1.00 0.00 C ATOM 1130 O LEU C 36 97.152 11.016 -15.684 1.00 0.00 O ATOM 1131 CB LEU C 36 97.989 10.506 -12.477 1.00 0.00 C ATOM 1132 CG LEU C 36 99.383 10.642 -13.126 1.00 0.00 C ATOM 1133 CD1 LEU C 36 100.043 11.964 -12.712 1.00 0.00 C ATOM 1134 CD2 LEU C 36 100.276 9.482 -12.675 1.00 0.00 C ATOM 0 H LEU C 36 95.713 10.890 -11.636 1.00 0.00 H new ATOM 0 HA LEU C 36 97.281 12.269 -13.523 1.00 0.00 H new ATOM 0 HB2 LEU C 36 98.014 10.902 -11.462 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.717 9.453 -12.402 1.00 0.00 H new ATOM 0 HG LEU C 36 99.262 10.624 -14.209 1.00 0.00 H new ATOM 0 HD11 LEU C 36 101.025 12.042 -13.179 1.00 0.00 H new ATOM 0 HD12 LEU C 36 99.420 12.798 -13.034 1.00 0.00 H new ATOM 0 HD13 LEU C 36 100.154 11.992 -11.628 1.00 0.00 H new ATOM 0 HD21 LEU C 36 101.260 9.580 -13.134 1.00 0.00 H new ATOM 0 HD22 LEU C 36 100.379 9.502 -11.590 1.00 0.00 H new ATOM 0 HD23 LEU C 36 99.826 8.537 -12.979 1.00 0.00 H new ATOM 1146 N HIS C 37 96.104 9.381 -14.596 1.00 0.00 N ATOM 1147 CA HIS C 37 95.891 8.608 -15.820 1.00 0.00 C ATOM 1148 C HIS C 37 95.225 9.448 -16.909 1.00 0.00 C ATOM 1149 O HIS C 37 95.426 9.201 -18.098 1.00 0.00 O ATOM 1150 CB HIS C 37 95.060 7.348 -15.533 1.00 0.00 C ATOM 1151 CG HIS C 37 93.624 7.699 -15.241 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.884 8.557 -16.041 1.00 0.00 N ATOM 1153 CD2 HIS C 37 92.773 7.293 -14.243 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.648 8.639 -15.514 1.00 0.00 C ATOM 1155 NE2 HIS C 37 91.527 7.887 -14.417 1.00 0.00 N ATOM 0 H HIS C 37 95.738 8.951 -13.747 1.00 0.00 H new ATOM 0 HA HIS C 37 96.871 8.304 -16.186 1.00 0.00 H new ATOM 0 HB2 HIS C 37 95.106 6.676 -16.390 1.00 0.00 H new ATOM 0 HB3 HIS C 37 95.486 6.813 -14.684 1.00 0.00 H new ATOM 0 HD2 HIS C 37 93.032 6.615 -13.443 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.851 9.240 -15.928 1.00 0.00 H new ATOM 0 HE2 HIS C 37 90.699 7.773 -13.832 1.00 0.00 H new ATOM 1164 N PHE C 38 94.441 10.410 -16.512 1.00 0.00 N ATOM 1165 CA PHE C 38 93.746 11.266 -17.471 1.00 0.00 C ATOM 1166 C PHE C 38 94.729 11.974 -18.405 1.00 0.00 C ATOM 1167 O PHE C 38 94.501 12.051 -19.612 1.00 0.00 O ATOM 1168 CB PHE C 38 92.917 12.308 -16.719 1.00 0.00 C ATOM 1169 CG PHE C 38 92.019 13.035 -17.689 1.00 0.00 C ATOM 1170 CD1 PHE C 38 90.834 12.433 -18.127 1.00 0.00 C ATOM 1171 CD2 PHE C 38 92.367 14.312 -18.149 1.00 0.00 C ATOM 1172 CE1 PHE C 38 89.997 13.106 -19.025 1.00 0.00 C ATOM 1173 CE2 PHE C 38 91.530 14.984 -19.047 1.00 0.00 C ATOM 1174 CZ PHE C 38 90.345 14.381 -19.485 1.00 0.00 C ATOM 0 H PHE C 38 94.258 10.633 -15.534 1.00 0.00 H new ATOM 0 HA PHE C 38 93.096 10.636 -18.078 1.00 0.00 H new ATOM 0 HB2 PHE C 38 92.319 11.824 -15.947 1.00 0.00 H new ATOM 0 HB3 PHE C 38 93.575 13.016 -16.215 1.00 0.00 H new ATOM 0 HD1 PHE C 38 90.565 11.449 -17.772 1.00 0.00 H new ATOM 0 HD2 PHE C 38 93.281 14.778 -17.811 1.00 0.00 H new ATOM 0 HE1 PHE C 38 89.083 12.641 -19.363 1.00 0.00 H new ATOM 0 HE2 PHE C 38 91.798 15.968 -19.402 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.699 14.900 -20.178 1.00 0.00 H new ATOM 1184 N ILE C 39 95.786 12.497 -17.850 1.00 0.00 N ATOM 1185 CA ILE C 39 96.779 13.217 -18.646 1.00 0.00 C ATOM 1186 C ILE C 39 97.297 12.364 -19.805 1.00 0.00 C ATOM 1187 O ILE C 39 97.342 12.821 -20.947 1.00 0.00 O ATOM 1188 CB ILE C 39 97.952 13.638 -17.757 1.00 0.00 C ATOM 1189 CG1 ILE C 39 97.431 14.513 -16.613 1.00 0.00 C ATOM 1190 CG2 ILE C 39 98.963 14.433 -18.588 1.00 0.00 C ATOM 1191 CD1 ILE C 39 98.555 14.760 -15.606 1.00 0.00 C ATOM 0 H ILE C 39 95.995 12.446 -16.853 1.00 0.00 H new ATOM 0 HA ILE C 39 96.294 14.099 -19.064 1.00 0.00 H new ATOM 0 HB ILE C 39 98.437 12.752 -17.348 1.00 0.00 H new ATOM 0 HG12 ILE C 39 97.065 15.462 -17.005 1.00 0.00 H new ATOM 0 HG13 ILE C 39 96.589 14.025 -16.122 1.00 0.00 H new ATOM 0 HG21 ILE C 39 99.798 14.733 -17.955 1.00 0.00 H new ATOM 0 HG22 ILE C 39 99.331 13.812 -19.405 1.00 0.00 H new ATOM 0 HG23 ILE C 39 98.480 15.321 -18.996 1.00 0.00 H new ATOM 0 HD11 ILE C 39 98.184 15.383 -14.792 1.00 0.00 H new ATOM 0 HD12 ILE C 39 98.900 13.807 -15.205 1.00 0.00 H new ATOM 0 HD13 ILE C 39 99.383 15.267 -16.102 1.00 0.00 H new ATOM 1203 N ALA C 40 97.680 11.151 -19.517 1.00 0.00 N ATOM 1204 CA ALA C 40 98.192 10.259 -20.555 1.00 0.00 C ATOM 1205 C ALA C 40 97.071 9.822 -21.494 1.00 0.00 C ATOM 1206 O ALA C 40 97.300 9.556 -22.674 1.00 0.00 O ATOM 1207 CB ALA C 40 98.837 9.027 -19.917 1.00 0.00 C ATOM 0 H ALA C 40 97.653 10.746 -18.581 1.00 0.00 H new ATOM 0 HA ALA C 40 98.940 10.802 -21.133 1.00 0.00 H new ATOM 0 HB1 ALA C 40 99.215 8.368 -20.699 1.00 0.00 H new ATOM 0 HB2 ALA C 40 99.661 9.339 -19.275 1.00 0.00 H new ATOM 0 HB3 ALA C 40 98.095 8.495 -19.322 1.00 0.00 H new ATOM 1213 N TRP C 41 95.884 9.740 -20.963 1.00 0.00 N ATOM 1214 CA TRP C 41 94.723 9.320 -21.740 1.00 0.00 C ATOM 1215 C TRP C 41 94.633 10.093 -23.053 1.00 0.00 C ATOM 1216 O TRP C 41 94.242 9.544 -24.084 1.00 0.00 O ATOM 1217 CB TRP C 41 93.458 9.565 -20.912 1.00 0.00 C ATOM 1218 CG TRP C 41 92.333 8.719 -21.417 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.748 8.832 -22.633 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.649 7.640 -20.732 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.751 7.879 -22.735 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.651 7.120 -21.587 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.801 7.067 -19.461 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.831 6.064 -21.192 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.979 6.009 -19.057 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.994 5.506 -19.921 1.00 0.00 C ATOM 0 H TRP C 41 95.681 9.958 -19.987 1.00 0.00 H new ATOM 0 HA TRP C 41 94.822 8.261 -21.976 1.00 0.00 H new ATOM 0 HB2 TRP C 41 93.652 9.336 -19.864 1.00 0.00 H new ATOM 0 HB3 TRP C 41 93.181 10.618 -20.962 1.00 0.00 H new ATOM 0 HD1 TRP C 41 92.016 9.548 -23.396 1.00 0.00 H new ATOM 0 HE1 TRP C 41 90.162 7.753 -23.558 1.00 0.00 H new ATOM 0 HE3 TRP C 41 92.558 7.445 -18.789 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 89.076 5.680 -21.862 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 91.103 5.577 -18.075 1.00 0.00 H new ATOM 0 HH2 TRP C 41 89.363 4.689 -19.604 1.00 0.00 H new ATOM 1237 N THR C 42 94.990 11.341 -23.006 1.00 0.00 N ATOM 1238 CA THR C 42 94.941 12.179 -24.197 1.00 0.00 C ATOM 1239 C THR C 42 95.826 11.610 -25.307 1.00 0.00 C ATOM 1240 O THR C 42 95.481 11.689 -26.485 1.00 0.00 O ATOM 1241 CB THR C 42 95.395 13.600 -23.854 1.00 0.00 C ATOM 1242 OG1 THR C 42 96.650 13.549 -23.190 1.00 0.00 O ATOM 1243 CG2 THR C 42 94.360 14.260 -22.941 1.00 0.00 C ATOM 0 H THR C 42 95.320 11.814 -22.164 1.00 0.00 H new ATOM 0 HA THR C 42 93.912 12.200 -24.555 1.00 0.00 H new ATOM 0 HB THR C 42 95.493 14.181 -24.771 1.00 0.00 H new ATOM 0 HG1 THR C 42 96.515 13.668 -22.227 1.00 0.00 H new ATOM 0 HG21 THR C 42 94.683 15.272 -22.697 1.00 0.00 H new ATOM 0 HG22 THR C 42 93.398 14.300 -23.451 1.00 0.00 H new ATOM 0 HG23 THR C 42 94.261 13.679 -22.024 1.00 0.00 H new ATOM 1251 N ILE C 43 96.948 11.058 -24.933 1.00 0.00 N ATOM 1252 CA ILE C 43 97.871 10.494 -25.916 1.00 0.00 C ATOM 1253 C ILE C 43 97.235 9.324 -26.667 1.00 0.00 C ATOM 1254 O ILE C 43 97.260 9.278 -27.896 1.00 0.00 O ATOM 1255 CB ILE C 43 99.143 10.007 -25.211 1.00 0.00 C ATOM 1256 CG1 ILE C 43 99.720 11.131 -24.335 1.00 0.00 C ATOM 1257 CG2 ILE C 43 100.181 9.583 -26.252 1.00 0.00 C ATOM 1258 CD1 ILE C 43 99.916 12.411 -25.157 1.00 0.00 C ATOM 0 H ILE C 43 97.256 10.980 -23.964 1.00 0.00 H new ATOM 0 HA ILE C 43 98.116 11.276 -26.635 1.00 0.00 H new ATOM 0 HB ILE C 43 98.895 9.153 -24.580 1.00 0.00 H new ATOM 0 HG12 ILE C 43 99.049 11.329 -23.499 1.00 0.00 H new ATOM 0 HG13 ILE C 43 100.673 10.816 -23.911 1.00 0.00 H new ATOM 0 HG21 ILE C 43 101.083 9.238 -25.747 1.00 0.00 H new ATOM 0 HG22 ILE C 43 99.776 8.776 -26.862 1.00 0.00 H new ATOM 0 HG23 ILE C 43 100.425 10.433 -26.890 1.00 0.00 H new ATOM 0 HD11 ILE C 43 100.325 13.194 -24.519 1.00 0.00 H new ATOM 0 HD12 ILE C 43 100.606 12.214 -25.978 1.00 0.00 H new ATOM 0 HD13 ILE C 43 98.956 12.735 -25.560 1.00 0.00 H new ATOM 1270 N GLY C 44 96.694 8.393 -25.933 1.00 0.00 N ATOM 1271 CA GLY C 44 96.076 7.217 -26.539 1.00 0.00 C ATOM 1272 C GLY C 44 95.064 7.597 -27.618 1.00 0.00 C ATOM 1273 O GLY C 44 94.848 6.842 -28.566 1.00 0.00 O ATOM 0 H GLY C 44 96.661 8.413 -24.914 1.00 0.00 H new ATOM 0 HA2 GLY C 44 96.850 6.584 -26.974 1.00 0.00 H new ATOM 0 HA3 GLY C 44 95.580 6.629 -25.767 1.00 0.00 H new ATOM 1277 N HIS C 45 94.448 8.737 -27.468 1.00 0.00 N ATOM 1278 CA HIS C 45 93.448 9.195 -28.430 1.00 0.00 C ATOM 1279 C HIS C 45 93.975 9.151 -29.863 1.00 0.00 C ATOM 1280 O HIS C 45 93.201 9.007 -30.810 1.00 0.00 O ATOM 1281 CB HIS C 45 93.024 10.625 -28.084 1.00 0.00 C ATOM 1282 CG HIS C 45 91.818 11.008 -28.897 1.00 0.00 C ATOM 1283 ND1 HIS C 45 91.897 11.886 -29.966 1.00 0.00 N ATOM 1284 CD2 HIS C 45 90.497 10.648 -28.804 1.00 0.00 C ATOM 1285 CE1 HIS C 45 90.658 12.025 -30.469 1.00 0.00 C ATOM 1286 NE2 HIS C 45 89.766 11.292 -29.798 1.00 0.00 N ATOM 0 H HIS C 45 94.612 9.377 -26.691 1.00 0.00 H new ATOM 0 HA HIS C 45 92.593 8.522 -28.369 1.00 0.00 H new ATOM 0 HB2 HIS C 45 92.796 10.700 -27.021 1.00 0.00 H new ATOM 0 HB3 HIS C 45 93.843 11.316 -28.284 1.00 0.00 H new ATOM 0 HD2 HIS C 45 90.087 9.969 -28.071 1.00 0.00 H new ATOM 0 HE1 HIS C 45 90.414 12.653 -31.313 1.00 0.00 H new ATOM 0 HE2 HIS C 45 88.764 11.220 -29.976 1.00 0.00 H new ATOM 1295 N LEU C 46 95.260 9.322 -30.022 1.00 0.00 N ATOM 1296 CA LEU C 46 95.852 9.350 -31.357 1.00 0.00 C ATOM 1297 C LEU C 46 95.335 8.200 -32.223 1.00 0.00 C ATOM 1298 O LEU C 46 95.157 8.366 -33.430 1.00 0.00 O ATOM 1299 CB LEU C 46 97.394 9.309 -31.255 1.00 0.00 C ATOM 1300 CG LEU C 46 97.909 7.859 -31.038 1.00 0.00 C ATOM 1301 CD1 LEU C 46 98.243 7.191 -32.394 1.00 0.00 C ATOM 1302 CD2 LEU C 46 99.175 7.881 -30.163 1.00 0.00 C ATOM 0 H LEU C 46 95.924 9.444 -29.257 1.00 0.00 H new ATOM 0 HA LEU C 46 95.555 10.281 -31.840 1.00 0.00 H new ATOM 0 HB2 LEU C 46 97.831 9.720 -32.165 1.00 0.00 H new ATOM 0 HB3 LEU C 46 97.723 9.941 -30.430 1.00 0.00 H new ATOM 0 HG LEU C 46 97.125 7.287 -30.542 1.00 0.00 H new ATOM 0 HD11 LEU C 46 98.602 6.176 -32.221 1.00 0.00 H new ATOM 0 HD12 LEU C 46 97.347 7.158 -33.014 1.00 0.00 H new ATOM 0 HD13 LEU C 46 99.016 7.767 -32.903 1.00 0.00 H new ATOM 0 HD21 LEU C 46 99.532 6.862 -30.014 1.00 0.00 H new ATOM 0 HD22 LEU C 46 99.949 8.468 -30.658 1.00 0.00 H new ATOM 0 HD23 LEU C 46 98.942 8.329 -29.197 1.00 0.00 H new ATOM 1427 N ASP D 24 87.491 -3.681 8.138 1.00 0.00 N ATOM 1428 CA ASP D 24 88.107 -4.613 7.197 1.00 0.00 C ATOM 1429 C ASP D 24 88.841 -3.846 6.090 1.00 0.00 C ATOM 1430 O ASP D 24 88.439 -2.739 5.734 1.00 0.00 O ATOM 1431 CB ASP D 24 87.023 -5.497 6.577 1.00 0.00 C ATOM 1432 CG ASP D 24 86.469 -6.456 7.624 1.00 0.00 C ATOM 1433 OD1 ASP D 24 87.115 -7.459 7.883 1.00 0.00 O ATOM 1434 OD2 ASP D 24 85.407 -6.174 8.156 1.00 0.00 O ATOM 0 HA ASP D 24 88.828 -5.233 7.731 1.00 0.00 H new ATOM 0 HB2 ASP D 24 86.220 -4.877 6.179 1.00 0.00 H new ATOM 0 HB3 ASP D 24 87.436 -6.059 5.739 1.00 0.00 H new ATOM 1439 N PRO D 25 89.898 -4.401 5.536 1.00 0.00 N ATOM 1440 CA PRO D 25 90.671 -3.729 4.446 1.00 0.00 C ATOM 1441 C PRO D 25 89.909 -3.743 3.119 1.00 0.00 C ATOM 1442 O PRO D 25 90.483 -3.992 2.059 1.00 0.00 O ATOM 1443 CB PRO D 25 91.960 -4.561 4.365 1.00 0.00 C ATOM 1444 CG PRO D 25 91.555 -5.927 4.811 1.00 0.00 C ATOM 1445 CD PRO D 25 90.476 -5.717 5.877 1.00 0.00 C ATOM 0 HA PRO D 25 90.856 -2.674 4.648 1.00 0.00 H new ATOM 0 HB2 PRO D 25 92.358 -4.577 3.351 1.00 0.00 H new ATOM 0 HB3 PRO D 25 92.739 -4.149 5.007 1.00 0.00 H new ATOM 0 HG2 PRO D 25 91.170 -6.513 3.976 1.00 0.00 H new ATOM 0 HG3 PRO D 25 92.406 -6.473 5.218 1.00 0.00 H new ATOM 0 HD2 PRO D 25 89.724 -6.505 5.846 1.00 0.00 H new ATOM 0 HD3 PRO D 25 90.899 -5.720 6.881 1.00 0.00 H new ATOM 1453 N LEU D 26 88.633 -3.477 3.191 1.00 0.00 N ATOM 1454 CA LEU D 26 87.795 -3.458 1.995 1.00 0.00 C ATOM 1455 C LEU D 26 88.134 -2.254 1.119 1.00 0.00 C ATOM 1456 O LEU D 26 88.315 -2.385 -0.092 1.00 0.00 O ATOM 1457 CB LEU D 26 86.316 -3.409 2.400 1.00 0.00 C ATOM 1458 CG LEU D 26 85.411 -3.472 1.158 1.00 0.00 C ATOM 1459 CD1 LEU D 26 85.579 -4.824 0.441 1.00 0.00 C ATOM 1460 CD2 LEU D 26 83.952 -3.300 1.598 1.00 0.00 C ATOM 0 H LEU D 26 88.139 -3.269 4.059 1.00 0.00 H new ATOM 0 HA LEU D 26 87.984 -4.366 1.422 1.00 0.00 H new ATOM 0 HB2 LEU D 26 86.088 -4.242 3.065 1.00 0.00 H new ATOM 0 HB3 LEU D 26 86.116 -2.493 2.956 1.00 0.00 H new ATOM 0 HG LEU D 26 85.690 -2.676 0.468 1.00 0.00 H new ATOM 0 HD11 LEU D 26 84.932 -4.854 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU D 26 86.617 -4.945 0.131 1.00 0.00 H new ATOM 0 HD13 LEU D 26 85.307 -5.632 1.120 1.00 0.00 H new ATOM 0 HD21 LEU D 26 83.301 -3.343 0.725 1.00 0.00 H new ATOM 0 HD22 LEU D 26 83.684 -4.098 2.290 1.00 0.00 H new ATOM 0 HD23 LEU D 26 83.832 -2.336 2.093 1.00 0.00 H new ATOM 1472 N VAL D 27 88.216 -1.103 1.729 1.00 0.00 N ATOM 1473 CA VAL D 27 88.530 0.123 1.005 1.00 0.00 C ATOM 1474 C VAL D 27 89.987 0.136 0.550 1.00 0.00 C ATOM 1475 O VAL D 27 90.307 0.638 -0.528 1.00 0.00 O ATOM 1476 CB VAL D 27 88.260 1.331 1.901 1.00 0.00 C ATOM 1477 CG1 VAL D 27 88.287 2.609 1.060 1.00 0.00 C ATOM 1478 CG2 VAL D 27 86.884 1.180 2.554 1.00 0.00 C ATOM 0 H VAL D 27 88.071 -0.977 2.731 1.00 0.00 H new ATOM 0 HA VAL D 27 87.896 0.170 0.120 1.00 0.00 H new ATOM 0 HB VAL D 27 89.027 1.390 2.673 1.00 0.00 H new ATOM 0 HG11 VAL D 27 88.094 3.470 1.700 1.00 0.00 H new ATOM 0 HG12 VAL D 27 89.266 2.716 0.592 1.00 0.00 H new ATOM 0 HG13 VAL D 27 87.520 2.552 0.287 1.00 0.00 H new ATOM 0 HG21 VAL D 27 86.689 2.040 3.194 1.00 0.00 H new ATOM 0 HG22 VAL D 27 86.118 1.122 1.780 1.00 0.00 H new ATOM 0 HG23 VAL D 27 86.864 0.270 3.154 1.00 0.00 H new ATOM 1488 N VAL D 28 90.848 -0.408 1.364 1.00 0.00 N ATOM 1489 CA VAL D 28 92.270 -0.454 1.037 1.00 0.00 C ATOM 1490 C VAL D 28 92.528 -1.430 -0.108 1.00 0.00 C ATOM 1491 O VAL D 28 93.256 -1.120 -1.050 1.00 0.00 O ATOM 1492 CB VAL D 28 93.077 -0.872 2.269 1.00 0.00 C ATOM 1493 CG1 VAL D 28 94.566 -0.887 1.921 1.00 0.00 C ATOM 1494 CG2 VAL D 28 92.826 0.125 3.405 1.00 0.00 C ATOM 0 H VAL D 28 90.603 -0.829 2.260 1.00 0.00 H new ATOM 0 HA VAL D 28 92.584 0.541 0.722 1.00 0.00 H new ATOM 0 HB VAL D 28 92.769 -1.868 2.586 1.00 0.00 H new ATOM 0 HG11 VAL D 28 95.142 -1.184 2.798 1.00 0.00 H new ATOM 0 HG12 VAL D 28 94.744 -1.596 1.113 1.00 0.00 H new ATOM 0 HG13 VAL D 28 94.876 0.109 1.605 1.00 0.00 H new ATOM 0 HG21 VAL D 28 93.400 -0.172 4.283 1.00 0.00 H new ATOM 0 HG22 VAL D 28 93.135 1.122 3.089 1.00 0.00 H new ATOM 0 HG23 VAL D 28 91.764 0.135 3.652 1.00 0.00 H new ATOM 1504 N ALA D 29 91.941 -2.592 -0.013 1.00 0.00 N ATOM 1505 CA ALA D 29 92.118 -3.617 -1.038 1.00 0.00 C ATOM 1506 C ALA D 29 91.880 -3.043 -2.433 1.00 0.00 C ATOM 1507 O ALA D 29 92.467 -3.505 -3.411 1.00 0.00 O ATOM 1508 CB ALA D 29 91.147 -4.773 -0.790 1.00 0.00 C ATOM 0 H ALA D 29 91.333 -2.865 0.759 1.00 0.00 H new ATOM 0 HA ALA D 29 93.144 -3.980 -0.982 1.00 0.00 H new ATOM 0 HB1 ALA D 29 91.284 -5.534 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA D 29 91.341 -5.208 0.191 1.00 0.00 H new ATOM 0 HB3 ALA D 29 90.123 -4.402 -0.826 1.00 0.00 H new ATOM 1514 N ALA D 30 91.034 -2.053 -2.516 1.00 0.00 N ATOM 1515 CA ALA D 30 90.731 -1.426 -3.801 1.00 0.00 C ATOM 1516 C ALA D 30 91.926 -0.627 -4.314 1.00 0.00 C ATOM 1517 O ALA D 30 92.111 -0.476 -5.522 1.00 0.00 O ATOM 1518 CB ALA D 30 89.520 -0.503 -3.655 1.00 0.00 C ATOM 0 H ALA D 30 90.537 -1.654 -1.720 1.00 0.00 H new ATOM 0 HA ALA D 30 90.507 -2.213 -4.521 1.00 0.00 H new ATOM 0 HB1 ALA D 30 89.299 -0.038 -4.616 1.00 0.00 H new ATOM 0 HB2 ALA D 30 88.658 -1.083 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA D 30 89.739 0.271 -2.920 1.00 0.00 H new ATOM 1524 N SER D 31 92.712 -0.117 -3.405 1.00 0.00 N ATOM 1525 CA SER D 31 93.882 0.677 -3.772 1.00 0.00 C ATOM 1526 C SER D 31 94.837 -0.122 -4.657 1.00 0.00 C ATOM 1527 O SER D 31 95.401 0.409 -5.613 1.00 0.00 O ATOM 1528 CB SER D 31 94.617 1.133 -2.512 1.00 0.00 C ATOM 1529 OG SER D 31 95.729 1.938 -2.882 1.00 0.00 O ATOM 0 H SER D 31 92.574 -0.230 -2.401 1.00 0.00 H new ATOM 0 HA SER D 31 93.537 1.545 -4.333 1.00 0.00 H new ATOM 0 HB2 SER D 31 93.943 1.698 -1.868 1.00 0.00 H new ATOM 0 HB3 SER D 31 94.954 0.268 -1.940 1.00 0.00 H new ATOM 0 HG SER D 31 96.202 2.233 -2.076 1.00 0.00 H new ATOM 1535 N ILE D 32 95.013 -1.374 -4.337 1.00 0.00 N ATOM 1536 CA ILE D 32 95.907 -2.232 -5.111 1.00 0.00 C ATOM 1537 C ILE D 32 95.518 -2.230 -6.588 1.00 0.00 C ATOM 1538 O ILE D 32 96.366 -2.391 -7.465 1.00 0.00 O ATOM 1539 CB ILE D 32 95.852 -3.662 -4.571 1.00 0.00 C ATOM 1540 CG1 ILE D 32 96.237 -3.661 -3.090 1.00 0.00 C ATOM 1541 CG2 ILE D 32 96.829 -4.543 -5.352 1.00 0.00 C ATOM 1542 CD1 ILE D 32 95.935 -5.032 -2.482 1.00 0.00 C ATOM 0 H ILE D 32 94.557 -1.835 -3.550 1.00 0.00 H new ATOM 0 HA ILE D 32 96.921 -1.843 -5.016 1.00 0.00 H new ATOM 0 HB ILE D 32 94.842 -4.054 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE D 32 97.296 -3.428 -2.979 1.00 0.00 H new ATOM 0 HG13 ILE D 32 95.683 -2.886 -2.560 1.00 0.00 H new ATOM 0 HG21 ILE D 32 96.789 -5.562 -4.966 1.00 0.00 H new ATOM 0 HG22 ILE D 32 96.555 -4.544 -6.407 1.00 0.00 H new ATOM 0 HG23 ILE D 32 97.840 -4.152 -5.240 1.00 0.00 H new ATOM 0 HD11 ILE D 32 96.209 -5.031 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE D 32 94.871 -5.247 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE D 32 96.509 -5.797 -3.005 1.00 0.00 H new ATOM 1554 N ILE D 33 94.254 -2.042 -6.845 1.00 0.00 N ATOM 1555 CA ILE D 33 93.753 -2.011 -8.216 1.00 0.00 C ATOM 1556 C ILE D 33 94.206 -0.729 -8.924 1.00 0.00 C ATOM 1557 O ILE D 33 94.378 -0.710 -10.142 1.00 0.00 O ATOM 1558 CB ILE D 33 92.214 -2.119 -8.221 1.00 0.00 C ATOM 1559 CG1 ILE D 33 91.793 -3.392 -7.450 1.00 0.00 C ATOM 1560 CG2 ILE D 33 91.697 -2.189 -9.672 1.00 0.00 C ATOM 1561 CD1 ILE D 33 90.345 -3.779 -7.782 1.00 0.00 C ATOM 0 H ILE D 33 93.539 -1.906 -6.130 1.00 0.00 H new ATOM 0 HA ILE D 33 94.163 -2.863 -8.758 1.00 0.00 H new ATOM 0 HB ILE D 33 91.785 -1.241 -7.738 1.00 0.00 H new ATOM 0 HG12 ILE D 33 92.461 -4.214 -7.705 1.00 0.00 H new ATOM 0 HG13 ILE D 33 91.892 -3.222 -6.378 1.00 0.00 H new ATOM 0 HG21 ILE D 33 90.610 -2.265 -9.668 1.00 0.00 H new ATOM 0 HG22 ILE D 33 91.996 -1.288 -10.208 1.00 0.00 H new ATOM 0 HG23 ILE D 33 92.120 -3.063 -10.167 1.00 0.00 H new ATOM 0 HD11 ILE D 33 90.072 -4.677 -7.228 1.00 0.00 H new ATOM 0 HD12 ILE D 33 89.677 -2.964 -7.503 1.00 0.00 H new ATOM 0 HD13 ILE D 33 90.256 -3.971 -8.851 1.00 0.00 H new ATOM 1573 N GLY D 34 94.383 0.322 -8.167 1.00 0.00 N ATOM 1574 CA GLY D 34 94.796 1.605 -8.735 1.00 0.00 C ATOM 1575 C GLY D 34 96.220 1.568 -9.284 1.00 0.00 C ATOM 1576 O GLY D 34 96.482 2.078 -10.374 1.00 0.00 O ATOM 0 H GLY D 34 94.251 0.328 -7.156 1.00 0.00 H new ATOM 0 HA2 GLY D 34 94.109 1.883 -9.534 1.00 0.00 H new ATOM 0 HA3 GLY D 34 94.725 2.378 -7.970 1.00 0.00 H new ATOM 1580 N ILE D 35 97.125 0.987 -8.545 1.00 0.00 N ATOM 1581 CA ILE D 35 98.515 0.915 -8.988 1.00 0.00 C ATOM 1582 C ILE D 35 98.643 0.015 -10.214 1.00 0.00 C ATOM 1583 O ILE D 35 99.448 0.278 -11.107 1.00 0.00 O ATOM 1584 CB ILE D 35 99.412 0.399 -7.859 1.00 0.00 C ATOM 1585 CG1 ILE D 35 98.821 -0.887 -7.269 1.00 0.00 C ATOM 1586 CG2 ILE D 35 99.509 1.465 -6.766 1.00 0.00 C ATOM 1587 CD1 ILE D 35 99.811 -1.501 -6.276 1.00 0.00 C ATOM 0 H ILE D 35 96.941 0.556 -7.639 1.00 0.00 H new ATOM 0 HA ILE D 35 98.838 1.920 -9.260 1.00 0.00 H new ATOM 0 HB ILE D 35 100.405 0.186 -8.255 1.00 0.00 H new ATOM 0 HG12 ILE D 35 97.877 -0.669 -6.769 1.00 0.00 H new ATOM 0 HG13 ILE D 35 98.603 -1.598 -8.066 1.00 0.00 H new ATOM 0 HG21 ILE D 35 100.147 1.102 -5.960 1.00 0.00 H new ATOM 0 HG22 ILE D 35 99.936 2.377 -7.184 1.00 0.00 H new ATOM 0 HG23 ILE D 35 98.514 1.676 -6.375 1.00 0.00 H new ATOM 0 HD11 ILE D 35 99.388 -2.415 -5.858 1.00 0.00 H new ATOM 0 HD12 ILE D 35 100.744 -1.734 -6.789 1.00 0.00 H new ATOM 0 HD13 ILE D 35 100.007 -0.792 -5.472 1.00 0.00 H new ATOM 1599 N LEU D 36 97.864 -1.029 -10.246 1.00 0.00 N ATOM 1600 CA LEU D 36 97.904 -1.964 -11.364 1.00 0.00 C ATOM 1601 C LEU D 36 97.812 -1.213 -12.692 1.00 0.00 C ATOM 1602 O LEU D 36 98.430 -1.601 -13.682 1.00 0.00 O ATOM 1603 CB LEU D 36 96.746 -2.970 -11.252 1.00 0.00 C ATOM 1604 CG LEU D 36 97.061 -4.244 -12.072 1.00 0.00 C ATOM 1605 CD1 LEU D 36 97.859 -5.238 -11.218 1.00 0.00 C ATOM 1606 CD2 LEU D 36 95.754 -4.909 -12.521 1.00 0.00 C ATOM 0 H LEU D 36 97.190 -1.265 -9.518 1.00 0.00 H new ATOM 0 HA LEU D 36 98.851 -2.503 -11.331 1.00 0.00 H new ATOM 0 HB2 LEU D 36 96.583 -3.233 -10.207 1.00 0.00 H new ATOM 0 HB3 LEU D 36 95.824 -2.515 -11.614 1.00 0.00 H new ATOM 0 HG LEU D 36 97.650 -3.960 -12.944 1.00 0.00 H new ATOM 0 HD11 LEU D 36 98.075 -6.131 -11.805 1.00 0.00 H new ATOM 0 HD12 LEU D 36 98.794 -4.777 -10.901 1.00 0.00 H new ATOM 0 HD13 LEU D 36 97.275 -5.514 -10.340 1.00 0.00 H new ATOM 0 HD21 LEU D 36 95.981 -5.805 -13.098 1.00 0.00 H new ATOM 0 HD22 LEU D 36 95.165 -5.181 -11.645 1.00 0.00 H new ATOM 0 HD23 LEU D 36 95.186 -4.214 -13.139 1.00 0.00 H new ATOM 1618 N HIS D 37 97.033 -0.169 -12.710 1.00 0.00 N ATOM 1619 CA HIS D 37 96.852 0.617 -13.927 1.00 0.00 C ATOM 1620 C HIS D 37 98.173 1.185 -14.438 1.00 0.00 C ATOM 1621 O HIS D 37 98.462 1.120 -15.632 1.00 0.00 O ATOM 1622 CB HIS D 37 95.896 1.780 -13.658 1.00 0.00 C ATOM 1623 CG HIS D 37 94.570 1.254 -13.193 1.00 0.00 C ATOM 1624 ND1 HIS D 37 93.924 1.768 -12.080 1.00 0.00 N ATOM 1625 CD2 HIS D 37 93.750 0.268 -13.681 1.00 0.00 C ATOM 1626 CE1 HIS D 37 92.769 1.096 -11.937 1.00 0.00 C ATOM 1627 NE2 HIS D 37 92.613 0.171 -12.887 1.00 0.00 N ATOM 0 H HIS D 37 96.508 0.168 -11.904 1.00 0.00 H new ATOM 0 HA HIS D 37 96.442 -0.051 -14.685 1.00 0.00 H new ATOM 0 HB2 HIS D 37 96.319 2.443 -12.903 1.00 0.00 H new ATOM 0 HB3 HIS D 37 95.765 2.371 -14.564 1.00 0.00 H new ATOM 0 HD1 HIS D 37 94.263 2.519 -11.479 1.00 0.00 H new ATOM 0 HD2 HIS D 37 93.956 -0.340 -14.549 1.00 0.00 H new ATOM 0 HE1 HIS D 37 92.054 1.282 -11.149 1.00 0.00 H new ATOM 1636 N PHE D 38 98.942 1.762 -13.556 1.00 0.00 N ATOM 1637 CA PHE D 38 100.212 2.379 -13.934 1.00 0.00 C ATOM 1638 C PHE D 38 101.161 1.399 -14.617 1.00 0.00 C ATOM 1639 O PHE D 38 101.770 1.735 -15.632 1.00 0.00 O ATOM 1640 CB PHE D 38 100.888 2.954 -12.689 1.00 0.00 C ATOM 1641 CG PHE D 38 102.069 3.799 -13.097 1.00 0.00 C ATOM 1642 CD1 PHE D 38 101.894 5.161 -13.366 1.00 0.00 C ATOM 1643 CD2 PHE D 38 103.339 3.221 -13.204 1.00 0.00 C ATOM 1644 CE1 PHE D 38 102.989 5.946 -13.743 1.00 0.00 C ATOM 1645 CE2 PHE D 38 104.435 4.006 -13.581 1.00 0.00 C ATOM 1646 CZ PHE D 38 104.260 5.369 -13.851 1.00 0.00 C ATOM 0 H PHE D 38 98.722 1.825 -12.562 1.00 0.00 H new ATOM 0 HA PHE D 38 99.988 3.169 -14.651 1.00 0.00 H new ATOM 0 HB2 PHE D 38 100.177 3.555 -12.122 1.00 0.00 H new ATOM 0 HB3 PHE D 38 101.215 2.146 -12.035 1.00 0.00 H new ATOM 0 HD1 PHE D 38 100.914 5.606 -13.283 1.00 0.00 H new ATOM 0 HD2 PHE D 38 103.473 2.170 -12.996 1.00 0.00 H new ATOM 0 HE1 PHE D 38 102.854 6.997 -13.951 1.00 0.00 H new ATOM 0 HE2 PHE D 38 105.415 3.561 -13.664 1.00 0.00 H new ATOM 0 HZ PHE D 38 105.105 5.975 -14.142 1.00 0.00 H new ATOM 1656 N ILE D 39 101.308 0.227 -14.069 1.00 0.00 N ATOM 1657 CA ILE D 39 102.219 -0.750 -14.656 1.00 0.00 C ATOM 1658 C ILE D 39 101.729 -1.218 -16.026 1.00 0.00 C ATOM 1659 O ILE D 39 102.521 -1.341 -16.957 1.00 0.00 O ATOM 1660 CB ILE D 39 102.402 -1.950 -13.720 1.00 0.00 C ATOM 1661 CG1 ILE D 39 101.038 -2.455 -13.251 1.00 0.00 C ATOM 1662 CG2 ILE D 39 103.229 -1.533 -12.501 1.00 0.00 C ATOM 1663 CD1 ILE D 39 101.228 -3.686 -12.363 1.00 0.00 C ATOM 0 H ILE D 39 100.822 -0.085 -13.228 1.00 0.00 H new ATOM 0 HA ILE D 39 103.183 -0.260 -14.792 1.00 0.00 H new ATOM 0 HB ILE D 39 102.919 -2.744 -14.259 1.00 0.00 H new ATOM 0 HG12 ILE D 39 100.518 -1.672 -12.699 1.00 0.00 H new ATOM 0 HG13 ILE D 39 100.416 -2.706 -14.110 1.00 0.00 H new ATOM 0 HG21 ILE D 39 103.357 -2.389 -11.838 1.00 0.00 H new ATOM 0 HG22 ILE D 39 104.206 -1.178 -12.828 1.00 0.00 H new ATOM 0 HG23 ILE D 39 102.713 -0.735 -11.967 1.00 0.00 H new ATOM 0 HD11 ILE D 39 100.255 -4.047 -12.028 1.00 0.00 H new ATOM 0 HD12 ILE D 39 101.730 -4.470 -12.930 1.00 0.00 H new ATOM 0 HD13 ILE D 39 101.834 -3.420 -11.497 1.00 0.00 H new ATOM 1675 N ALA D 40 100.456 -1.482 -16.152 1.00 0.00 N ATOM 1676 CA ALA D 40 99.913 -1.940 -17.427 1.00 0.00 C ATOM 1677 C ALA D 40 99.904 -0.815 -18.466 1.00 0.00 C ATOM 1678 O ALA D 40 100.196 -1.040 -19.640 1.00 0.00 O ATOM 1679 CB ALA D 40 98.496 -2.472 -17.216 1.00 0.00 C ATOM 0 H ALA D 40 99.771 -1.393 -15.401 1.00 0.00 H new ATOM 0 HA ALA D 40 100.552 -2.737 -17.806 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.090 -2.814 -18.168 1.00 0.00 H new ATOM 0 HB2 ALA D 40 98.521 -3.304 -16.512 1.00 0.00 H new ATOM 0 HB3 ALA D 40 97.865 -1.678 -16.817 1.00 0.00 H new ATOM 1685 N TRP D 41 99.570 0.373 -18.032 1.00 0.00 N ATOM 1686 CA TRP D 41 99.520 1.529 -18.930 1.00 0.00 C ATOM 1687 C TRP D 41 100.801 1.627 -19.754 1.00 0.00 C ATOM 1688 O TRP D 41 100.793 2.122 -20.881 1.00 0.00 O ATOM 1689 CB TRP D 41 99.336 2.812 -18.111 1.00 0.00 C ATOM 1690 CG TRP D 41 98.956 3.951 -19.005 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.780 4.558 -19.893 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.676 4.644 -19.099 1.00 0.00 C ATOM 1693 NE1 TRP D 41 99.083 5.568 -20.533 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.784 5.660 -20.077 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.442 4.487 -18.439 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.709 6.492 -20.389 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.357 5.325 -18.751 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.492 6.326 -19.725 1.00 0.00 C ATOM 0 H TRP D 41 99.326 0.579 -17.063 1.00 0.00 H new ATOM 0 HA TRP D 41 98.677 1.404 -19.610 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.565 2.661 -17.355 1.00 0.00 H new ATOM 0 HB3 TRP D 41 100.259 3.049 -17.582 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.812 4.296 -20.072 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.481 6.171 -21.253 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.328 3.718 -17.689 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.817 7.260 -21.140 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.415 5.198 -18.238 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.656 6.967 -19.961 1.00 0.00 H new ATOM 1709 N THR D 42 101.876 1.146 -19.199 1.00 0.00 N ATOM 1710 CA THR D 42 103.157 1.178 -19.897 1.00 0.00 C ATOM 1711 C THR D 42 103.093 0.357 -21.184 1.00 0.00 C ATOM 1712 O THR D 42 103.790 0.657 -22.154 1.00 0.00 O ATOM 1713 CB THR D 42 104.276 0.635 -19.004 1.00 0.00 C ATOM 1714 OG1 THR D 42 103.998 -0.713 -18.663 1.00 0.00 O ATOM 1715 CG2 THR D 42 104.374 1.481 -17.733 1.00 0.00 C ATOM 0 H THR D 42 101.906 0.726 -18.270 1.00 0.00 H new ATOM 0 HA THR D 42 103.372 2.217 -20.146 1.00 0.00 H new ATOM 0 HB THR D 42 105.224 0.682 -19.540 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.195 -0.750 -18.103 1.00 0.00 H new ATOM 0 HG21 THR D 42 105.171 1.093 -17.098 1.00 0.00 H new ATOM 0 HG22 THR D 42 104.593 2.515 -18.000 1.00 0.00 H new ATOM 0 HG23 THR D 42 103.428 1.439 -17.194 1.00 0.00 H new ATOM 1723 N ILE D 43 102.274 -0.662 -21.192 1.00 0.00 N ATOM 1724 CA ILE D 43 102.142 -1.511 -22.372 1.00 0.00 C ATOM 1725 C ILE D 43 101.438 -0.768 -23.507 1.00 0.00 C ATOM 1726 O ILE D 43 101.932 -0.714 -24.631 1.00 0.00 O ATOM 1727 CB ILE D 43 101.333 -2.759 -22.004 1.00 0.00 C ATOM 1728 CG1 ILE D 43 102.046 -3.514 -20.880 1.00 0.00 C ATOM 1729 CG2 ILE D 43 101.192 -3.676 -23.221 1.00 0.00 C ATOM 1730 CD1 ILE D 43 101.135 -4.623 -20.349 1.00 0.00 C ATOM 0 H ILE D 43 101.686 -0.933 -20.404 1.00 0.00 H new ATOM 0 HA ILE D 43 103.139 -1.792 -22.712 1.00 0.00 H new ATOM 0 HB ILE D 43 100.341 -2.453 -21.673 1.00 0.00 H new ATOM 0 HG12 ILE D 43 102.978 -3.941 -21.249 1.00 0.00 H new ATOM 0 HG13 ILE D 43 102.307 -2.827 -20.075 1.00 0.00 H new ATOM 0 HG21 ILE D 43 100.615 -4.559 -22.946 1.00 0.00 H new ATOM 0 HG22 ILE D 43 100.679 -3.142 -24.021 1.00 0.00 H new ATOM 0 HG23 ILE D 43 102.181 -3.981 -23.564 1.00 0.00 H new ATOM 0 HD11 ILE D 43 101.644 -5.160 -19.549 1.00 0.00 H new ATOM 0 HD12 ILE D 43 100.215 -4.184 -19.964 1.00 0.00 H new ATOM 0 HD13 ILE D 43 100.897 -5.316 -21.156 1.00 0.00 H new ATOM 1742 N GLY D 44 100.299 -0.211 -23.210 1.00 0.00 N ATOM 1743 CA GLY D 44 99.521 0.517 -24.208 1.00 0.00 C ATOM 1744 C GLY D 44 100.354 1.589 -24.903 1.00 0.00 C ATOM 1745 O GLY D 44 100.081 1.961 -26.042 1.00 0.00 O ATOM 0 H GLY D 44 99.875 -0.240 -22.283 1.00 0.00 H new ATOM 0 HA2 GLY D 44 99.136 -0.182 -24.950 1.00 0.00 H new ATOM 0 HA3 GLY D 44 98.658 0.980 -23.729 1.00 0.00 H new ATOM 1749 N HIS D 45 101.330 2.094 -24.211 1.00 0.00 N ATOM 1750 CA HIS D 45 102.182 3.142 -24.735 1.00 0.00 C ATOM 1751 C HIS D 45 103.068 2.637 -25.889 1.00 0.00 C ATOM 1752 O HIS D 45 103.437 3.411 -26.770 1.00 0.00 O ATOM 1753 CB HIS D 45 103.044 3.682 -23.566 1.00 0.00 C ATOM 1754 CG HIS D 45 102.836 5.164 -23.371 1.00 0.00 C ATOM 1755 ND1 HIS D 45 102.683 5.720 -22.111 1.00 0.00 N ATOM 1756 CD2 HIS D 45 102.735 6.208 -24.257 1.00 0.00 C ATOM 1757 CE1 HIS D 45 102.498 7.042 -22.270 1.00 0.00 C ATOM 1758 NE2 HIS D 45 102.520 7.393 -23.559 1.00 0.00 N ATOM 0 H HIS D 45 101.566 1.797 -23.264 1.00 0.00 H new ATOM 0 HA HIS D 45 101.566 3.939 -25.151 1.00 0.00 H new ATOM 0 HB2 HIS D 45 102.788 3.153 -22.648 1.00 0.00 H new ATOM 0 HB3 HIS D 45 104.097 3.483 -23.766 1.00 0.00 H new ATOM 0 HD2 HIS D 45 102.811 6.123 -25.331 1.00 0.00 H new ATOM 0 HE1 HIS D 45 102.350 7.736 -21.455 1.00 0.00 H new ATOM 0 HE2 HIS D 45 102.404 8.329 -23.948 1.00 0.00 H new ATOM 1767 N LEU D 46 103.412 1.374 -25.877 1.00 0.00 N ATOM 1768 CA LEU D 46 104.271 0.824 -26.929 1.00 0.00 C ATOM 1769 C LEU D 46 103.718 1.133 -28.323 1.00 0.00 C ATOM 1770 O LEU D 46 104.460 1.565 -29.204 1.00 0.00 O ATOM 1771 CB LEU D 46 104.477 -0.697 -26.732 1.00 0.00 C ATOM 1772 CG LEU D 46 103.230 -1.509 -27.174 1.00 0.00 C ATOM 1773 CD1 LEU D 46 103.316 -1.888 -28.677 1.00 0.00 C ATOM 1774 CD2 LEU D 46 103.125 -2.805 -26.343 1.00 0.00 C ATOM 0 H LEU D 46 103.122 0.703 -25.165 1.00 0.00 H new ATOM 0 HA LEU D 46 105.244 1.309 -26.851 1.00 0.00 H new ATOM 0 HB2 LEU D 46 105.345 -1.023 -27.305 1.00 0.00 H new ATOM 0 HB3 LEU D 46 104.691 -0.902 -25.683 1.00 0.00 H new ATOM 0 HG LEU D 46 102.351 -0.885 -27.013 1.00 0.00 H new ATOM 0 HD11 LEU D 46 102.430 -2.456 -28.960 1.00 0.00 H new ATOM 0 HD12 LEU D 46 103.373 -0.981 -29.278 1.00 0.00 H new ATOM 0 HD13 LEU D 46 104.206 -2.494 -28.849 1.00 0.00 H new ATOM 0 HD21 LEU D 46 102.248 -3.370 -26.659 1.00 0.00 H new ATOM 0 HD22 LEU D 46 104.019 -3.409 -26.496 1.00 0.00 H new ATOM 0 HD23 LEU D 46 103.034 -2.553 -25.286 1.00 0.00 H new