USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 836 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 6 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.00043) USER MOD Single : A 9 SER OG : rot -150:sc= -0.653 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 67:sc= 1.19 USER MOD Single : A 19 HIS :FLIP no HE2:sc= -0.199 F(o=-1.7,f=-0.2) USER MOD Single : A 21 MET CE :methyl -126:sc= -0.0182 (180deg=-0.169) USER MOD Single : A 24 THR OG1 : rot 95:sc= 1.11 USER MOD Single : A 27 HIS : no HD1:sc= -0.404 X(o=-0.4,f=-0.032) USER MOD Single : B 6 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.0015) USER MOD Single : B 9 SER OG : rot -160:sc= -0.632 USER MOD Single : B 11 CYS SG : rot 180:sc= 0 USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 65:sc= 1.19 USER MOD Single : B 19 HIS :FLIP no HE2:sc= -0.172 F(o=-1.8,f=-0.17) USER MOD Single : B 21 MET CE :methyl -124:sc=-0.00861 (180deg=-0.162) USER MOD Single : B 24 THR OG1 : rot 115:sc= 1.22 USER MOD Single : B 27 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.055) USER MOD Single : C 6 GLN :FLIP amide:sc=-0.000468 F(o=-0.5,f=-0.00047) USER MOD Single : C 9 SER OG : rot -160:sc= -0.611 USER MOD Single : C 11 CYS SG : rot 180:sc= 0 USER MOD Single : C 12 SER OG : rot 180:sc= 0 USER MOD Single : C 16 SER OG : rot 66:sc= 1.2 USER MOD Single : C 19 HIS :FLIP no HE2:sc= -0.17 F(o=-1.7,f=-0.17) USER MOD Single : C 21 MET CE :methyl -124:sc= 0 (180deg=-0.156) USER MOD Single : C 24 THR OG1 : rot 70:sc= 1.1 USER MOD Single : C 27 HIS : no HD1:sc= -0.49 X(o=-0.49,f=-0.054) USER MOD Single : D 6 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.00082) USER MOD Single : D 9 SER OG : rot -150:sc= -0.666 USER MOD Single : D 11 CYS SG : rot 180:sc= 0 USER MOD Single : D 12 SER OG : rot 180:sc= 0 USER MOD Single : D 16 SER OG : rot 67:sc= 1.25 USER MOD Single : D 19 HIS :FLIP no HE2:sc= -0.174 F(o=-1.6,f=-0.17) USER MOD Single : D 21 MET CE :methyl -123:sc= -0.0118 (180deg=-0.168) USER MOD Single : D 24 THR OG1 : rot 83:sc= 1.15 USER MOD Single : D 27 HIS : no HD1:sc= -0.551 X(o=-0.55,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 3 47.755 26.059 11.226 1.00 0.00 N0 ATOM 41 CA GLU A 3 46.404 25.572 10.987 1.00 0.00 C0 ATOM 42 C GLU A 3 45.815 24.974 12.263 1.00 0.00 C0 ATOM 43 O GLU A 3 46.550 24.574 13.166 1.00 0.00 O0 ATOM 44 CB GLU A 3 46.410 24.516 9.883 1.00 0.00 C0 ATOM 45 CG GLU A 3 46.707 25.182 8.542 1.00 0.00 C0 ATOM 46 CD GLU A 3 46.666 24.146 7.426 1.00 0.00 C0 ATOM 47 OE1 GLU A 3 46.349 23.004 7.716 1.00 0.00 O0 ATOM 48 OE2 GLU A 3 46.951 24.509 6.296 1.00 0.00 O1- ATOM 0 HA GLU A 3 45.788 26.415 10.675 1.00 0.00 H new ATOM 0 HB2 GLU A 3 47.161 23.755 10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 3 45.445 24.010 9.844 1.00 0.00 H new ATOM 0 HG2 GLU A 3 45.977 25.968 8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 3 47.687 25.658 8.572 1.00 0.00 H new ATOM 55 N PRO A 4 44.511 24.901 12.353 1.00 0.00 N0 ATOM 56 CA PRO A 4 43.818 24.332 13.549 1.00 0.00 C0 ATOM 57 C PRO A 4 44.371 22.962 13.935 1.00 0.00 C0 ATOM 58 O PRO A 4 44.580 22.675 15.114 1.00 0.00 O0 ATOM 59 CB PRO A 4 42.360 24.216 13.094 1.00 0.00 C0 ATOM 60 CG PRO A 4 42.200 25.230 12.012 1.00 0.00 C0 ATOM 61 CD PRO A 4 43.554 25.353 11.329 1.00 0.00 C0 ATOM 0 HA PRO A 4 43.950 24.953 14.435 1.00 0.00 H new ATOM 0 HB2 PRO A 4 42.142 23.213 12.728 1.00 0.00 H new ATOM 0 HB3 PRO A 4 41.675 24.410 13.919 1.00 0.00 H new ATOM 0 HG2 PRO A 4 41.434 24.921 11.301 1.00 0.00 H new ATOM 0 HG3 PRO A 4 41.885 26.189 12.423 1.00 0.00 H new ATOM 0 HD2 PRO A 4 43.607 24.735 10.433 1.00 0.00 H new ATOM 0 HD3 PRO A 4 43.754 26.379 11.021 1.00 0.00 H new ATOM 69 N PHE A 5 44.612 22.122 12.932 1.00 0.00 N0 ATOM 70 CA PHE A 5 45.144 20.785 13.175 1.00 0.00 C0 ATOM 71 C PHE A 5 45.836 20.251 11.926 1.00 0.00 C0 ATOM 72 O PHE A 5 47.021 19.921 11.955 1.00 0.00 O0 ATOM 73 CB PHE A 5 44.016 19.834 13.584 1.00 0.00 C0 ATOM 74 CG PHE A 5 43.760 19.964 15.066 1.00 0.00 C0 ATOM 75 CD1 PHE A 5 42.636 20.662 15.526 1.00 0.00 C0 ATOM 76 CD2 PHE A 5 44.649 19.388 15.982 1.00 0.00 C0 ATOM 77 CE1 PHE A 5 42.401 20.782 16.902 1.00 0.00 C0 ATOM 78 CE2 PHE A 5 44.414 19.508 17.357 1.00 0.00 C0 ATOM 79 CZ PHE A 5 43.290 20.206 17.817 1.00 0.00 C0 ATOM 0 H PHE A 5 44.449 22.342 11.949 1.00 0.00 H new ATOM 0 HA PHE A 5 45.872 20.847 13.984 1.00 0.00 H new ATOM 0 HB2 PHE A 5 43.109 20.067 13.026 1.00 0.00 H new ATOM 0 HB3 PHE A 5 44.286 18.807 13.340 1.00 0.00 H new ATOM 0 HD1 PHE A 5 41.951 21.108 14.820 1.00 0.00 H new ATOM 0 HD2 PHE A 5 45.516 18.851 15.628 1.00 0.00 H new ATOM 0 HE1 PHE A 5 41.534 21.319 17.257 1.00 0.00 H new ATOM 0 HE2 PHE A 5 45.099 19.062 18.063 1.00 0.00 H new ATOM 0 HZ PHE A 5 43.109 20.300 18.878 1.00 0.00 H new ATOM 89 N GLN A 6 45.088 20.169 10.830 1.00 0.00 N0 ATOM 90 CA GLN A 6 45.640 19.675 9.574 1.00 0.00 C0 ATOM 91 C GLN A 6 44.635 19.856 8.442 1.00 0.00 C0 ATOM 92 O GLN A 6 43.473 20.189 8.674 1.00 0.00 O0 ATOM 93 CB GLN A 6 46.007 18.195 9.712 1.00 0.00 C0 ATOM 94 CG GLN A 6 44.731 17.365 9.853 1.00 0.00 C0 ATOM 95 CD GLN A 6 45.051 16.026 10.508 1.00 0.00 C0 ATOM 96 OE1 GLN A 6 45.266 15.962 11.719 1.00 0.00 O0 ATOM 97 NE2 GLN A 6 45.098 14.946 9.778 1.00 0.00 N0 ATOM 0 H GLN A 6 44.105 20.436 10.786 1.00 0.00 H new ATOM 0 HA GLN A 6 46.537 20.247 9.339 1.00 0.00 H new ATOM 0 HB2 GLN A 6 46.573 17.867 8.840 1.00 0.00 H new ATOM 0 HB3 GLN A 6 46.648 18.048 10.582 1.00 0.00 H new ATOM 0 HG2 GLN A 6 43.999 17.907 10.452 1.00 0.00 H new ATOM 0 HG3 GLN A 6 44.283 17.202 8.873 1.00 0.00 H new ATOM 0 HE21 GLN A 6 44.920 15.000 8.775 1.00 0.00 H new ATOM 0 HE22 GLN A 6 45.313 14.047 10.210 1.00 0.00 H new ATOM 106 N ILE A 7 45.088 19.637 7.217 1.00 0.00 N0 ATOM 107 CA ILE A 7 44.219 19.781 6.057 1.00 0.00 C0 ATOM 108 C ILE A 7 43.022 18.839 6.164 1.00 0.00 C0 ATOM 109 O ILE A 7 41.901 19.204 5.811 1.00 0.00 O0 ATOM 110 CB ILE A 7 45.000 19.466 4.779 1.00 0.00 C0 ATOM 111 CG1 ILE A 7 45.994 20.594 4.493 1.00 0.00 C0 ATOM 112 CG2 ILE A 7 44.030 19.335 3.601 1.00 0.00 C0 ATOM 113 CD1 ILE A 7 47.394 20.178 4.957 1.00 0.00 C0 ATOM 0 H ILE A 7 46.046 19.361 7.000 1.00 0.00 H new ATOM 0 HA ILE A 7 43.859 20.809 6.022 1.00 0.00 H new ATOM 0 HB ILE A 7 45.540 18.529 4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 7 46.006 20.820 3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 7 45.685 21.504 5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 7 44.589 19.111 2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 7 43.323 18.530 3.800 1.00 0.00 H new ATOM 0 HG23 ILE A 7 43.487 20.271 3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 7 48.099 20.983 4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 7 47.377 19.974 6.028 1.00 0.00 H new ATOM 0 HD13 ILE A 7 47.703 19.280 4.422 1.00 0.00 H new ATOM 125 N LEU A 8 43.271 17.629 6.654 1.00 0.00 N0 ATOM 126 CA LEU A 8 42.208 16.640 6.804 1.00 0.00 C0 ATOM 127 C LEU A 8 41.153 17.136 7.797 1.00 0.00 C0 ATOM 128 O LEU A 8 39.959 16.849 7.653 1.00 0.00 O0 ATOM 129 CB LEU A 8 42.796 15.313 7.297 1.00 0.00 C0 ATOM 130 CG LEU A 8 41.805 14.182 7.015 1.00 0.00 C0 ATOM 131 CD1 LEU A 8 42.542 13.004 6.376 1.00 0.00 C0 ATOM 132 CD2 LEU A 8 41.163 13.726 8.328 1.00 0.00 C0 ATOM 0 H LEU A 8 44.193 17.310 6.952 1.00 0.00 H new ATOM 0 HA LEU A 8 41.735 16.488 5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 8 43.744 15.114 6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 8 43.005 15.370 8.365 1.00 0.00 H new ATOM 0 HG LEU A 8 41.032 14.540 6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 8 41.836 12.199 6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 8 43.001 13.326 5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 8 43.316 12.647 7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 8 40.457 12.920 8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 8 41.937 13.369 9.007 1.00 0.00 H new ATOM 0 HD23 LEU A 8 40.637 14.564 8.786 1.00 0.00 H new ATOM 144 N SER A 9 41.604 17.898 8.788 1.00 0.00 N0 ATOM 145 CA SER A 9 40.701 18.447 9.793 1.00 0.00 C0 ATOM 146 C SER A 9 39.886 19.602 9.225 1.00 0.00 C0 ATOM 147 O SER A 9 38.700 19.743 9.523 1.00 0.00 O0 ATOM 148 CB SER A 9 41.493 18.922 11.009 1.00 0.00 C0 ATOM 149 OG SER A 9 42.053 17.797 11.668 1.00 0.00 O0 ATOM 0 H SER A 9 42.584 18.148 8.917 1.00 0.00 H new ATOM 0 HA SER A 9 40.014 17.657 10.096 1.00 0.00 H new ATOM 0 HB2 SER A 9 42.282 19.607 10.699 1.00 0.00 H new ATOM 0 HB3 SER A 9 40.843 19.471 11.690 1.00 0.00 H new ATOM 0 HG SER A 9 42.134 17.986 12.626 1.00 0.00 H new ATOM 155 N ILE A 10 40.527 20.424 8.402 1.00 0.00 N0 ATOM 156 CA ILE A 10 39.851 21.564 7.795 1.00 0.00 C0 ATOM 157 C ILE A 10 38.727 21.098 6.875 1.00 0.00 C0 ATOM 158 O ILE A 10 37.610 21.616 6.933 1.00 0.00 O0 ATOM 159 CB ILE A 10 40.852 22.405 6.998 1.00 0.00 C0 ATOM 160 CG1 ILE A 10 41.815 23.100 7.966 1.00 0.00 C0 ATOM 161 CG2 ILE A 10 40.103 23.459 6.177 1.00 0.00 C0 ATOM 162 CD1 ILE A 10 42.990 23.688 7.181 1.00 0.00 C0 ATOM 0 H ILE A 10 41.508 20.323 8.141 1.00 0.00 H new ATOM 0 HA ILE A 10 39.422 22.171 8.592 1.00 0.00 H new ATOM 0 HB ILE A 10 41.414 21.758 6.325 1.00 0.00 H new ATOM 0 HG12 ILE A 10 41.295 23.889 8.509 1.00 0.00 H new ATOM 0 HG13 ILE A 10 42.179 22.389 8.708 1.00 0.00 H new ATOM 0 HG21 ILE A 10 40.819 24.056 5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 10 39.418 22.964 5.488 1.00 0.00 H new ATOM 0 HG23 ILE A 10 39.539 24.108 6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 10 43.676 24.183 7.869 1.00 0.00 H new ATOM 0 HD12 ILE A 10 43.515 22.888 6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 10 42.618 24.412 6.456 1.00 0.00 H new ATOM 174 N CYS A 11 39.027 20.115 6.030 1.00 0.00 N0 ATOM 175 CA CYS A 11 38.026 19.591 5.108 1.00 0.00 C0 ATOM 176 C CYS A 11 36.868 18.987 5.887 1.00 0.00 C0 ATOM 177 O CYS A 11 35.710 19.307 5.629 1.00 0.00 O0 ATOM 178 CB CYS A 11 38.652 18.526 4.209 1.00 0.00 C0 ATOM 179 SG CYS A 11 39.790 19.316 3.045 1.00 0.00 S0 ATOM 0 H CYS A 11 39.943 19.671 5.965 1.00 0.00 H new ATOM 0 HA CYS A 11 37.654 20.408 4.490 1.00 0.00 H new ATOM 0 HB2 CYS A 11 39.184 17.791 4.813 1.00 0.00 H new ATOM 0 HB3 CYS A 11 37.874 17.989 3.666 1.00 0.00 H new ATOM 0 HG CYS A 11 40.326 18.411 2.280 1.00 0.00 H new ATOM 185 N SER A 12 37.183 18.106 6.833 1.00 0.00 N0 ATOM 186 CA SER A 12 36.145 17.466 7.630 1.00 0.00 C0 ATOM 187 C SER A 12 35.268 18.517 8.301 1.00 0.00 C0 ATOM 188 O SER A 12 34.050 18.368 8.376 1.00 0.00 O0 ATOM 189 CB SER A 12 36.786 16.581 8.698 1.00 0.00 C0 ATOM 190 OG SER A 12 35.772 16.031 9.530 1.00 0.00 O0 ATOM 0 H SER A 12 38.136 17.823 7.063 1.00 0.00 H new ATOM 0 HA SER A 12 35.526 16.855 6.972 1.00 0.00 H new ATOM 0 HB2 SER A 12 37.358 15.782 8.227 1.00 0.00 H new ATOM 0 HB3 SER A 12 37.486 17.164 9.297 1.00 0.00 H new ATOM 0 HG SER A 12 36.183 15.462 10.214 1.00 0.00 H new ATOM 196 N PHE A 13 35.895 19.580 8.787 1.00 0.00 N0 ATOM 197 CA PHE A 13 35.158 20.650 9.450 1.00 0.00 C0 ATOM 198 C PHE A 13 34.131 21.264 8.498 1.00 0.00 C0 ATOM 199 O PHE A 13 32.969 21.450 8.857 1.00 0.00 O0 ATOM 200 CB PHE A 13 36.130 21.732 9.923 1.00 0.00 C0 ATOM 201 CG PHE A 13 35.369 22.798 10.674 1.00 0.00 C0 ATOM 202 CD1 PHE A 13 35.083 22.624 12.033 1.00 0.00 C0 ATOM 203 CD2 PHE A 13 34.950 23.958 10.013 1.00 0.00 C0 ATOM 204 CE1 PHE A 13 34.376 23.609 12.732 1.00 0.00 C0 ATOM 205 CE2 PHE A 13 34.244 24.945 10.712 1.00 0.00 C0 ATOM 206 CZ PHE A 13 33.957 24.770 12.072 1.00 0.00 C0 ATOM 0 H PHE A 13 36.903 19.725 8.736 1.00 0.00 H new ATOM 0 HA PHE A 13 34.634 20.230 10.308 1.00 0.00 H new ATOM 0 HB2 PHE A 13 36.894 21.294 10.566 1.00 0.00 H new ATOM 0 HB3 PHE A 13 36.646 22.171 9.069 1.00 0.00 H new ATOM 0 HD1 PHE A 13 35.408 21.729 12.543 1.00 0.00 H new ATOM 0 HD2 PHE A 13 35.171 24.092 8.964 1.00 0.00 H new ATOM 0 HE1 PHE A 13 34.154 23.473 13.780 1.00 0.00 H new ATOM 0 HE2 PHE A 13 33.921 25.841 10.203 1.00 0.00 H new ATOM 0 HZ PHE A 13 33.412 25.531 12.611 1.00 0.00 H new ATOM 216 N ILE A 14 34.569 21.579 7.282 1.00 0.00 N0 ATOM 217 CA ILE A 14 33.676 22.174 6.290 1.00 0.00 C0 ATOM 218 C ILE A 14 32.564 21.196 5.913 1.00 0.00 C0 ATOM 219 O ILE A 14 31.391 21.574 5.802 1.00 0.00 O0 ATOM 220 CB ILE A 14 34.472 22.560 5.041 1.00 0.00 C0 ATOM 221 CG1 ILE A 14 35.447 23.690 5.390 1.00 0.00 C0 ATOM 222 CG2 ILE A 14 33.511 23.039 3.953 1.00 0.00 C0 ATOM 223 CD1 ILE A 14 36.430 23.898 4.233 1.00 0.00 C0 ATOM 0 H ILE A 14 35.526 21.434 6.961 1.00 0.00 H new ATOM 0 HA ILE A 14 33.223 23.067 6.721 1.00 0.00 H new ATOM 0 HB ILE A 14 35.028 21.694 4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 14 34.897 24.611 5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 14 35.991 23.446 6.303 1.00 0.00 H new ATOM 0 HG21 ILE A 14 34.077 23.314 3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 14 32.813 22.239 3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 14 32.957 23.906 4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 14 37.122 24.702 4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 14 36.989 22.978 4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 14 35.879 24.162 3.330 1.00 0.00 H new ATOM 235 N LEU A 15 32.942 19.937 5.721 1.00 0.00 N0 ATOM 236 CA LEU A 15 31.982 18.903 5.361 1.00 0.00 C0 ATOM 237 C LEU A 15 30.959 18.720 6.470 1.00 0.00 C0 ATOM 238 O LEU A 15 29.820 18.338 6.219 1.00 0.00 O0 ATOM 239 CB LEU A 15 32.705 17.577 5.094 1.00 0.00 C0 ATOM 240 CG LEU A 15 33.435 17.647 3.749 1.00 0.00 C0 ATOM 241 CD1 LEU A 15 34.404 16.465 3.631 1.00 0.00 C0 ATOM 242 CD2 LEU A 15 32.410 17.582 2.609 1.00 0.00 C0 ATOM 0 H LEU A 15 33.904 19.610 5.809 1.00 0.00 H new ATOM 0 HA LEU A 15 31.465 19.214 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 15 33.416 17.372 5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.988 16.756 5.087 1.00 0.00 H new ATOM 0 HG LEU A 15 33.992 18.582 3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.924 16.515 2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 15 35.131 16.509 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.847 15.530 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 15 32.928 17.632 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 15 31.854 16.647 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 15 31.720 18.421 2.692 1.00 0.00 H new ATOM 254 N SER A 16 31.372 19.009 7.698 1.00 0.00 N0 ATOM 255 CA SER A 16 30.477 18.886 8.838 1.00 0.00 C0 ATOM 256 C SER A 16 29.452 20.013 8.847 1.00 0.00 C0 ATOM 257 O SER A 16 28.265 19.776 9.066 1.00 0.00 O0 ATOM 258 CB SER A 16 31.280 18.915 10.132 1.00 0.00 C0 ATOM 259 OG SER A 16 32.097 17.754 10.204 1.00 0.00 O0 ATOM 0 H SER A 16 32.313 19.328 7.927 1.00 0.00 H new ATOM 0 HA SER A 16 29.948 17.936 8.757 1.00 0.00 H new ATOM 0 HB2 SER A 16 31.898 19.812 10.170 1.00 0.00 H new ATOM 0 HB3 SER A 16 30.608 18.955 10.990 1.00 0.00 H new ATOM 0 HG SER A 16 32.784 17.794 9.507 1.00 0.00 H new ATOM 265 N ALA A 17 29.923 21.239 8.621 1.00 0.00 N0 ATOM 266 CA ALA A 17 29.032 22.393 8.621 1.00 0.00 C0 ATOM 267 C ALA A 17 27.928 22.206 7.586 1.00 0.00 C0 ATOM 268 O ALA A 17 26.739 22.325 7.893 1.00 0.00 O0 ATOM 269 CB ALA A 17 29.830 23.658 8.283 1.00 0.00 C0 ATOM 0 H ALA A 17 30.903 21.455 8.438 1.00 0.00 H new ATOM 0 HA ALA A 17 28.584 22.491 9.610 1.00 0.00 H new ATOM 0 HB1 ALA A 17 29.163 24.520 8.283 1.00 0.00 H new ATOM 0 HB2 ALA A 17 30.612 23.804 9.028 1.00 0.00 H new ATOM 0 HB3 ALA A 17 30.283 23.550 7.297 1.00 0.00 H new ATOM 275 N LEU A 18 28.323 21.894 6.355 1.00 0.00 N0 ATOM 276 CA LEU A 18 27.347 21.688 5.294 1.00 0.00 C0 ATOM 277 C LEU A 18 26.511 20.451 5.587 1.00 0.00 C0 ATOM 278 O LEU A 18 25.305 20.434 5.354 1.00 0.00 O0 ATOM 279 CB LEU A 18 28.061 21.518 3.960 1.00 0.00 C0 ATOM 280 CG LEU A 18 28.966 22.725 3.716 1.00 0.00 C0 ATOM 281 CD1 LEU A 18 29.720 22.539 2.400 1.00 0.00 C0 ATOM 282 CD2 LEU A 18 28.124 24.001 3.642 1.00 0.00 C0 ATOM 0 H LEU A 18 29.296 21.780 6.072 1.00 0.00 H new ATOM 0 HA LEU A 18 26.692 22.558 5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 18 28.651 20.601 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 18 27.333 21.425 3.154 1.00 0.00 H new ATOM 0 HG LEU A 18 29.677 22.810 4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 18 30.366 23.400 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 18 30.327 21.635 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 18 29.006 22.449 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 18 28.776 24.857 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 18 27.408 23.918 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 18 27.588 24.138 4.581 1.00 0.00 H new ATOM 294 N HIS A 19 27.163 19.415 6.098 1.00 0.00 N0 ATOM 295 CA HIS A 19 26.473 18.176 6.414 1.00 0.00 C0 ATOM 296 C HIS A 19 25.223 18.421 7.234 1.00 0.00 C0 ATOM 297 O HIS A 19 24.142 17.971 6.863 1.00 0.00 O0 ATOM 298 CB HIS A 19 27.400 17.241 7.188 1.00 0.00 C0 ATOM 299 CG HIS A 19 26.587 16.408 8.146 1.00 0.00 C0 ATOM 300 ND1 HIS A 19 26.286 16.580 9.475 1.00 0.00 N0 flip ATOM 301 CD2 HIS A 19 25.963 15.229 7.768 1.00 0.00 C0 flip ATOM 302 CE1 HIS A 19 25.491 15.527 9.917 1.00 0.00 C0 flip ATOM 303 NE2 HIS A 19 25.325 14.742 8.850 1.00 0.00 N0 flip ATOM 0 H HIS A 19 28.163 19.409 6.301 1.00 0.00 H new ATOM 0 HA HIS A 19 26.181 17.718 5.469 1.00 0.00 H new ATOM 0 HB2 HIS A 19 27.942 16.595 6.497 1.00 0.00 H new ATOM 0 HB3 HIS A 19 28.145 17.820 7.734 1.00 0.00 H new ATOM 0 HD1 HIS A 19 26.598 17.362 10.051 1.00 0.00 H new ATOM 0 HD2 HIS A 19 25.984 14.782 6.785 1.00 0.00 H new ATOM 0 HE1 HIS A 19 25.094 15.377 10.910 1.00 0.00 H new ATOM 311 N PHE A 20 25.371 19.136 8.338 1.00 0.00 N0 ATOM 312 CA PHE A 20 24.238 19.428 9.202 1.00 0.00 C0 ATOM 313 C PHE A 20 23.345 20.496 8.588 1.00 0.00 C0 ATOM 314 O PHE A 20 22.170 20.593 8.920 1.00 0.00 O0 ATOM 315 CB PHE A 20 24.742 19.899 10.566 1.00 0.00 C0 ATOM 316 CG PHE A 20 24.358 18.890 11.624 1.00 0.00 C0 ATOM 317 CD1 PHE A 20 25.338 18.083 12.216 1.00 0.00 C0 ATOM 318 CD2 PHE A 20 23.019 18.763 12.012 1.00 0.00 C0 ATOM 319 CE1 PHE A 20 24.976 17.151 13.194 1.00 0.00 C0 ATOM 320 CE2 PHE A 20 22.659 17.832 12.989 1.00 0.00 C0 ATOM 321 CZ PHE A 20 23.633 17.026 13.579 1.00 0.00 C0 ATOM 0 H PHE A 20 26.260 19.523 8.656 1.00 0.00 H new ATOM 0 HA PHE A 20 23.651 18.517 9.320 1.00 0.00 H new ATOM 0 HB2 PHE A 20 25.825 20.022 10.542 1.00 0.00 H new ATOM 0 HB3 PHE A 20 24.316 20.873 10.806 1.00 0.00 H new ATOM 0 HD1 PHE A 20 26.371 18.180 11.918 1.00 0.00 H new ATOM 0 HD2 PHE A 20 22.264 19.385 11.555 1.00 0.00 H new ATOM 0 HE1 PHE A 20 25.730 16.528 13.652 1.00 0.00 H new ATOM 0 HE2 PHE A 20 21.626 17.736 13.288 1.00 0.00 H new ATOM 0 HZ PHE A 20 23.353 16.305 14.333 1.00 0.00 H new ATOM 331 N MET A 21 23.898 21.292 7.688 1.00 0.00 N0 ATOM 332 CA MET A 21 23.117 22.341 7.044 1.00 0.00 C0 ATOM 333 C MET A 21 22.094 21.757 6.069 1.00 0.00 C0 ATOM 334 O MET A 21 20.885 21.935 6.236 1.00 0.00 O0 ATOM 335 CB MET A 21 24.060 23.273 6.298 1.00 0.00 C0 ATOM 336 CG MET A 21 24.071 24.643 6.979 1.00 0.00 C0 ATOM 337 SD MET A 21 25.314 25.704 6.194 1.00 0.00 S0 ATOM 338 CE MET A 21 24.346 26.153 4.733 1.00 0.00 C0 ATOM 0 H MET A 21 24.871 21.236 7.388 1.00 0.00 H new ATOM 0 HA MET A 21 22.572 22.889 7.813 1.00 0.00 H new ATOM 0 HB2 MET A 21 25.066 22.854 6.284 1.00 0.00 H new ATOM 0 HB3 MET A 21 23.743 23.374 5.260 1.00 0.00 H new ATOM 0 HG2 MET A 21 23.086 25.104 6.906 1.00 0.00 H new ATOM 0 HG3 MET A 21 24.292 24.531 8.040 1.00 0.00 H new ATOM 0 HE1 MET A 21 24.917 25.922 3.833 1.00 0.00 H new ATOM 0 HE2 MET A 21 23.414 25.588 4.726 1.00 0.00 H new ATOM 0 HE3 MET A 21 24.124 27.220 4.758 1.00 0.00 H new ATOM 348 N ALA A 22 22.590 21.069 5.053 1.00 0.00 N0 ATOM 349 CA ALA A 22 21.719 20.465 4.052 1.00 0.00 C0 ATOM 350 C ALA A 22 20.856 19.369 4.667 1.00 0.00 C0 ATOM 351 O ALA A 22 19.673 19.252 4.346 1.00 0.00 O0 ATOM 352 CB ALA A 22 22.551 19.875 2.916 1.00 0.00 C0 ATOM 0 H ALA A 22 23.586 20.914 4.898 1.00 0.00 H new ATOM 0 HA ALA A 22 21.067 21.246 3.661 1.00 0.00 H new ATOM 0 HB1 ALA A 22 21.889 19.427 2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.139 20.664 2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.220 19.112 3.313 1.00 0.00 H new ATOM 358 N TRP A 23 21.451 18.564 5.547 1.00 0.00 N0 ATOM 359 CA TRP A 23 20.722 17.478 6.189 1.00 0.00 C0 ATOM 360 C TRP A 23 19.567 18.023 7.020 1.00 0.00 C0 ATOM 361 O TRP A 23 18.461 17.484 6.987 1.00 0.00 O0 ATOM 362 CB TRP A 23 21.667 16.680 7.086 1.00 0.00 C0 ATOM 363 CG TRP A 23 20.982 15.447 7.567 1.00 0.00 C0 ATOM 364 CD1 TRP A 23 21.059 14.236 6.972 1.00 0.00 C0 ATOM 365 CD2 TRP A 23 20.109 15.281 8.721 1.00 0.00 C0 ATOM 366 NE1 TRP A 23 20.297 13.336 7.690 1.00 0.00 N0 ATOM 367 CE2 TRP A 23 19.689 13.933 8.778 1.00 0.00 C0 ATOM 368 CE3 TRP A 23 19.648 16.163 9.716 1.00 0.00 C0 ATOM 369 CZ2 TRP A 23 18.841 13.472 9.785 1.00 0.00 C0 ATOM 370 CZ3 TRP A 23 18.794 15.703 10.732 1.00 0.00 C0 ATOM 371 CH2 TRP A 23 18.390 14.361 10.765 1.00 0.00 C0 ATOM 0 H TRP A 23 22.428 18.645 5.828 1.00 0.00 H new ATOM 0 HA TRP A 23 20.318 16.827 5.414 1.00 0.00 H new ATOM 0 HB2 TRP A 23 22.569 16.415 6.535 1.00 0.00 H new ATOM 0 HB3 TRP A 23 21.979 17.289 7.935 1.00 0.00 H new ATOM 0 HD1 TRP A 23 21.624 14.009 6.080 1.00 0.00 H new ATOM 0 HE1 TRP A 23 20.195 12.351 7.447 1.00 0.00 H new ATOM 0 HE3 TRP A 23 19.952 17.199 9.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 18.535 12.436 9.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 18.447 16.387 11.492 1.00 0.00 H new ATOM 0 HH2 TRP A 23 17.731 14.014 11.547 1.00 0.00 H new ATOM 382 N THR A 24 19.823 19.100 7.756 1.00 0.00 N0 ATOM 383 CA THR A 24 18.786 19.710 8.579 1.00 0.00 C0 ATOM 384 C THR A 24 17.650 20.250 7.713 1.00 0.00 C0 ATOM 385 O THR A 24 16.470 20.068 8.031 1.00 0.00 O0 ATOM 386 CB THR A 24 19.383 20.842 9.421 1.00 0.00 C0 ATOM 387 OG1 THR A 24 20.218 20.290 10.430 1.00 0.00 O0 ATOM 388 CG2 THR A 24 18.263 21.664 10.065 1.00 0.00 C0 ATOM 0 H THR A 24 20.730 19.564 7.799 1.00 0.00 H new ATOM 0 HA THR A 24 18.380 18.944 9.240 1.00 0.00 H new ATOM 0 HB THR A 24 19.973 21.495 8.778 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.147 20.283 10.118 1.00 0.00 H new ATOM 0 HG21 THR A 24 18.697 22.466 10.662 1.00 0.00 H new ATOM 0 HG22 THR A 24 17.632 22.092 9.286 1.00 0.00 H new ATOM 0 HG23 THR A 24 17.662 21.020 10.706 1.00 0.00 H new ATOM 396 N ILE A 25 18.010 20.915 6.623 1.00 0.00 N0 ATOM 397 CA ILE A 25 17.012 21.477 5.727 1.00 0.00 C0 ATOM 398 C ILE A 25 16.135 20.371 5.149 1.00 0.00 C0 ATOM 399 O ILE A 25 14.912 20.495 5.112 1.00 0.00 O0 ATOM 400 CB ILE A 25 17.700 22.230 4.592 1.00 0.00 C0 ATOM 401 CG1 ILE A 25 18.406 23.467 5.156 1.00 0.00 C0 ATOM 402 CG2 ILE A 25 16.657 22.671 3.562 1.00 0.00 C0 ATOM 403 CD1 ILE A 25 19.370 24.030 4.109 1.00 0.00 C0 ATOM 0 H ILE A 25 18.977 21.077 6.341 1.00 0.00 H new ATOM 0 HA ILE A 25 16.385 22.167 6.292 1.00 0.00 H new ATOM 0 HB ILE A 25 18.430 21.576 4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 25 17.671 24.223 5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 25 18.951 23.205 6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 25 17.150 23.209 2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 25 16.150 21.794 3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 25 15.927 23.325 4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 25 19.871 24.910 4.512 1.00 0.00 H new ATOM 0 HD12 ILE A 25 20.113 23.274 3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 25 18.813 24.308 3.214 1.00 0.00 H new ATOM 415 N GLY A 26 16.770 19.290 4.699 1.00 0.00 N0 ATOM 416 CA GLY A 26 16.032 18.171 4.126 1.00 0.00 C0 ATOM 417 C GLY A 26 15.064 17.589 5.147 1.00 0.00 C0 ATOM 418 O GLY A 26 13.913 17.292 4.826 1.00 0.00 O0 ATOM 0 H GLY A 26 17.782 19.168 4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.483 18.503 3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.728 17.400 3.796 1.00 0.00 H new ATOM 422 N HIS A 27 15.534 17.432 6.382 1.00 0.00 N0 ATOM 423 CA HIS A 27 14.696 16.893 7.443 1.00 0.00 C0 ATOM 424 C HIS A 27 13.427 17.719 7.586 1.00 0.00 C0 ATOM 425 O HIS A 27 12.333 17.174 7.740 1.00 0.00 O0 ATOM 426 CB HIS A 27 15.466 16.893 8.765 1.00 0.00 C0 ATOM 427 CG HIS A 27 14.547 17.301 9.884 1.00 0.00 C0 ATOM 428 ND1 HIS A 27 14.698 18.502 10.561 1.00 0.00 N0 ATOM 429 CD2 HIS A 27 13.462 16.685 10.451 1.00 0.00 C0 ATOM 430 CE1 HIS A 27 13.726 18.569 11.489 1.00 0.00 C0 ATOM 431 NE2 HIS A 27 12.945 17.486 11.465 1.00 0.00 N0 ATOM 0 H HIS A 27 16.484 17.669 6.669 1.00 0.00 H new ATOM 0 HA HIS A 27 14.422 15.870 7.186 1.00 0.00 H new ATOM 0 HB2 HIS A 27 15.875 15.901 8.960 1.00 0.00 H new ATOM 0 HB3 HIS A 27 16.310 17.580 8.706 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.068 15.724 10.156 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.594 19.397 12.170 1.00 0.00 H new ATOM 0 HE2 HIS A 27 12.142 17.288 12.062 1.00 0.00 H new ATOM 439 N LEU A 28 13.578 19.037 7.537 1.00 0.00 N0 ATOM 440 CA LEU A 28 12.429 19.928 7.667 1.00 0.00 C0 ATOM 441 C LEU A 28 11.750 20.131 6.315 1.00 0.00 C0 ATOM 442 O LEU A 28 12.417 20.288 5.293 1.00 0.00 O0 ATOM 443 CB LEU A 28 12.875 21.282 8.224 1.00 0.00 C0 ATOM 444 CG LEU A 28 11.655 22.187 8.425 1.00 0.00 C0 ATOM 445 CD1 LEU A 28 10.745 21.597 9.508 1.00 0.00 C0 ATOM 446 CD2 LEU A 28 12.122 23.581 8.851 1.00 0.00 C0 ATOM 0 H LEU A 28 14.473 19.509 7.410 1.00 0.00 H new ATOM 0 HA LEU A 28 11.717 19.470 8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.396 21.142 9.171 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.580 21.753 7.539 1.00 0.00 H new ATOM 0 HG LEU A 28 11.099 22.258 7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.879 22.244 9.648 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.412 20.605 9.203 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.296 21.522 10.445 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.256 24.227 8.995 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.679 23.508 9.785 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.764 24.002 8.077 1.00 0.00 H new ATOM 594 N GLU B 3 41.709 15.731 30.549 1.00 0.00 N0 ATOM 595 CA GLU B 3 40.547 15.504 29.701 1.00 0.00 C0 ATOM 596 C GLU B 3 40.619 14.124 29.049 1.00 0.00 C0 ATOM 597 O GLU B 3 41.698 13.547 28.918 1.00 0.00 O0 ATOM 598 CB GLU B 3 40.466 16.577 28.615 1.00 0.00 C0 ATOM 599 CG GLU B 3 40.087 17.913 29.248 1.00 0.00 C0 ATOM 600 CD GLU B 3 39.957 18.981 28.168 1.00 0.00 C0 ATOM 601 OE1 GLU B 3 40.080 18.636 27.005 1.00 0.00 O0 ATOM 602 OE2 GLU B 3 39.735 20.127 28.521 1.00 0.00 O1- ATOM 0 HA GLU B 3 39.655 15.555 30.326 1.00 0.00 H new ATOM 0 HB2 GLU B 3 41.424 16.664 28.102 1.00 0.00 H new ATOM 0 HB3 GLU B 3 39.727 16.295 27.865 1.00 0.00 H new ATOM 0 HG2 GLU B 3 39.146 17.815 29.790 1.00 0.00 H new ATOM 0 HG3 GLU B 3 40.844 18.209 29.975 1.00 0.00 H new ATOM 609 N PRO B 4 39.497 13.590 28.636 1.00 0.00 N0 ATOM 610 CA PRO B 4 39.440 12.250 27.978 1.00 0.00 C0 ATOM 611 C PRO B 4 40.445 12.125 26.835 1.00 0.00 C0 ATOM 612 O PRO B 4 41.112 11.101 26.690 1.00 0.00 O0 ATOM 613 CB PRO B 4 38.006 12.176 27.443 1.00 0.00 C0 ATOM 614 CG PRO B 4 37.213 13.100 28.306 1.00 0.00 C0 ATOM 615 CD PRO B 4 38.162 14.201 28.752 1.00 0.00 C0 ATOM 0 HA PRO B 4 39.692 11.445 28.668 1.00 0.00 H new ATOM 0 HB2 PRO B 4 37.961 12.479 26.397 1.00 0.00 H new ATOM 0 HB3 PRO B 4 37.619 11.159 27.497 1.00 0.00 H new ATOM 0 HG2 PRO B 4 36.369 13.516 27.755 1.00 0.00 H new ATOM 0 HG3 PRO B 4 36.803 12.570 29.166 1.00 0.00 H new ATOM 0 HD2 PRO B 4 38.072 15.085 28.121 1.00 0.00 H new ATOM 0 HD3 PRO B 4 37.955 14.516 29.775 1.00 0.00 H new ATOM 623 N PHE B 5 40.549 13.177 26.028 1.00 0.00 N0 ATOM 624 CA PHE B 5 41.477 13.180 24.904 1.00 0.00 C0 ATOM 625 C PHE B 5 41.820 14.609 24.497 1.00 0.00 C0 ATOM 626 O PHE B 5 42.986 15.003 24.502 1.00 0.00 O0 ATOM 627 CB PHE B 5 40.862 12.439 23.713 1.00 0.00 C0 ATOM 628 CG PHE B 5 41.105 10.956 23.863 1.00 0.00 C0 ATOM 629 CD1 PHE B 5 40.060 10.112 24.256 1.00 0.00 C0 ATOM 630 CD2 PHE B 5 42.376 10.427 23.609 1.00 0.00 C0 ATOM 631 CE1 PHE B 5 40.287 8.736 24.395 1.00 0.00 C0 ATOM 632 CE2 PHE B 5 42.601 9.052 23.748 1.00 0.00 C0 ATOM 633 CZ PHE B 5 41.557 8.206 24.141 1.00 0.00 C0 ATOM 0 H PHE B 5 40.005 14.034 26.131 1.00 0.00 H new ATOM 0 HA PHE B 5 42.391 12.673 25.211 1.00 0.00 H new ATOM 0 HB2 PHE B 5 39.792 12.639 23.659 1.00 0.00 H new ATOM 0 HB3 PHE B 5 41.301 12.798 22.782 1.00 0.00 H new ATOM 0 HD1 PHE B 5 39.080 10.521 24.452 1.00 0.00 H new ATOM 0 HD2 PHE B 5 43.182 11.079 23.306 1.00 0.00 H new ATOM 0 HE1 PHE B 5 39.481 8.084 24.698 1.00 0.00 H new ATOM 0 HE2 PHE B 5 43.581 8.643 23.552 1.00 0.00 H new ATOM 0 HZ PHE B 5 41.732 7.146 24.248 1.00 0.00 H new ATOM 643 N GLN B 6 40.796 15.380 24.143 1.00 0.00 N0 ATOM 644 CA GLN B 6 41.001 16.765 23.737 1.00 0.00 C0 ATOM 645 C GLN B 6 39.659 17.474 23.567 1.00 0.00 C0 ATOM 646 O GLN B 6 38.603 16.843 23.588 1.00 0.00 O0 ATOM 647 CB GLN B 6 41.784 16.813 22.423 1.00 0.00 C0 ATOM 648 CG GLN B 6 40.914 16.268 21.290 1.00 0.00 C0 ATOM 649 CD GLN B 6 41.795 15.814 20.131 1.00 0.00 C0 ATOM 650 OE1 GLN B 6 42.420 14.756 20.204 1.00 0.00 O0 ATOM 651 NE2 GLN B 6 41.884 16.555 19.060 1.00 0.00 N0 ATOM 0 H GLN B 6 39.824 15.072 24.129 1.00 0.00 H new ATOM 0 HA GLN B 6 41.571 17.275 24.513 1.00 0.00 H new ATOM 0 HB2 GLN B 6 42.085 17.838 22.204 1.00 0.00 H new ATOM 0 HB3 GLN B 6 42.697 16.224 22.510 1.00 0.00 H new ATOM 0 HG2 GLN B 6 40.314 15.433 21.651 1.00 0.00 H new ATOM 0 HG3 GLN B 6 40.220 17.037 20.951 1.00 0.00 H new ATOM 0 HE21 GLN B 6 41.365 17.431 19.002 1.00 0.00 H new ATOM 0 HE22 GLN B 6 42.472 16.258 18.282 1.00 0.00 H new ATOM 660 N ILE B 7 39.709 18.787 23.401 1.00 0.00 N0 ATOM 661 CA ILE B 7 38.492 19.569 23.232 1.00 0.00 C0 ATOM 662 C ILE B 7 37.711 19.088 22.011 1.00 0.00 C0 ATOM 663 O ILE B 7 36.482 19.020 22.038 1.00 0.00 O0 ATOM 664 CB ILE B 7 38.844 21.047 23.058 1.00 0.00 C0 ATOM 665 CG1 ILE B 7 39.331 21.620 24.391 1.00 0.00 C0 ATOM 666 CG2 ILE B 7 37.607 21.821 22.596 1.00 0.00 C0 ATOM 667 CD1 ILE B 7 40.861 21.685 24.397 1.00 0.00 C0 ATOM 0 H ILE B 7 40.572 19.331 23.380 1.00 0.00 H new ATOM 0 HA ILE B 7 37.874 19.441 24.121 1.00 0.00 H new ATOM 0 HB ILE B 7 39.632 21.142 22.311 1.00 0.00 H new ATOM 0 HG12 ILE B 7 38.915 22.616 24.544 1.00 0.00 H new ATOM 0 HG13 ILE B 7 38.981 20.998 25.215 1.00 0.00 H new ATOM 0 HG21 ILE B 7 37.861 22.874 22.473 1.00 0.00 H new ATOM 0 HG22 ILE B 7 37.260 21.418 21.645 1.00 0.00 H new ATOM 0 HG23 ILE B 7 36.817 21.723 23.341 1.00 0.00 H new ATOM 0 HD11 ILE B 7 41.204 22.093 25.348 1.00 0.00 H new ATOM 0 HD12 ILE B 7 41.268 20.683 24.265 1.00 0.00 H new ATOM 0 HD13 ILE B 7 41.201 22.325 23.583 1.00 0.00 H new ATOM 679 N LEU B 8 38.434 18.757 20.948 1.00 0.00 N0 ATOM 680 CA LEU B 8 37.803 18.282 19.719 1.00 0.00 C0 ATOM 681 C LEU B 8 37.057 16.970 19.973 1.00 0.00 C0 ATOM 682 O LEU B 8 36.015 16.700 19.364 1.00 0.00 O0 ATOM 683 CB LEU B 8 38.864 18.070 18.634 1.00 0.00 C0 ATOM 684 CG LEU B 8 38.189 18.032 17.263 1.00 0.00 C0 ATOM 685 CD1 LEU B 8 38.959 18.926 16.289 1.00 0.00 C0 ATOM 686 CD2 LEU B 8 38.183 16.595 16.736 1.00 0.00 C0 ATOM 0 H LEU B 8 39.452 18.808 20.910 1.00 0.00 H new ATOM 0 HA LEU B 8 37.089 19.034 19.384 1.00 0.00 H new ATOM 0 HB2 LEU B 8 39.599 18.874 18.667 1.00 0.00 H new ATOM 0 HB3 LEU B 8 39.402 17.139 18.813 1.00 0.00 H new ATOM 0 HG LEU B 8 37.164 18.391 17.355 1.00 0.00 H new ATOM 0 HD11 LEU B 8 38.477 18.899 15.312 1.00 0.00 H new ATOM 0 HD12 LEU B 8 38.965 19.950 16.662 1.00 0.00 H new ATOM 0 HD13 LEU B 8 39.984 18.567 16.198 1.00 0.00 H new ATOM 0 HD21 LEU B 8 37.702 16.568 15.758 1.00 0.00 H new ATOM 0 HD22 LEU B 8 39.208 16.236 16.646 1.00 0.00 H new ATOM 0 HD23 LEU B 8 37.635 15.956 17.428 1.00 0.00 H new ATOM 698 N SER B 9 37.589 16.171 20.893 1.00 0.00 N0 ATOM 699 CA SER B 9 36.968 14.898 21.242 1.00 0.00 C0 ATOM 700 C SER B 9 35.725 15.109 22.097 1.00 0.00 C0 ATOM 701 O SER B 9 34.722 14.415 21.933 1.00 0.00 O0 ATOM 702 CB SER B 9 37.965 14.013 21.987 1.00 0.00 C0 ATOM 703 OG SER B 9 39.002 13.629 21.095 1.00 0.00 O0 ATOM 0 H SER B 9 38.444 16.381 21.408 1.00 0.00 H new ATOM 0 HA SER B 9 36.668 14.405 20.317 1.00 0.00 H new ATOM 0 HB2 SER B 9 38.382 14.550 22.839 1.00 0.00 H new ATOM 0 HB3 SER B 9 37.462 13.130 22.382 1.00 0.00 H new ATOM 0 HG SER B 9 39.457 12.834 21.445 1.00 0.00 H new ATOM 709 N ILE B 10 35.795 16.075 23.007 1.00 0.00 N0 ATOM 710 CA ILE B 10 34.667 16.370 23.881 1.00 0.00 C0 ATOM 711 C ILE B 10 33.471 16.859 23.071 1.00 0.00 C0 ATOM 712 O ILE B 10 32.344 16.402 23.271 1.00 0.00 O0 ATOM 713 CB ILE B 10 35.065 17.434 24.909 1.00 0.00 C0 ATOM 714 CG1 ILE B 10 36.073 16.836 25.896 1.00 0.00 C0 ATOM 715 CG2 ILE B 10 33.822 17.908 25.669 1.00 0.00 C0 ATOM 716 CD1 ILE B 10 36.699 17.957 26.726 1.00 0.00 C0 ATOM 0 H ILE B 10 36.615 16.663 23.158 1.00 0.00 H new ATOM 0 HA ILE B 10 34.386 15.454 24.400 1.00 0.00 H new ATOM 0 HB ILE B 10 35.517 18.283 24.396 1.00 0.00 H new ATOM 0 HG12 ILE B 10 35.577 16.119 26.550 1.00 0.00 H new ATOM 0 HG13 ILE B 10 36.848 16.292 25.356 1.00 0.00 H new ATOM 0 HG21 ILE B 10 34.109 18.665 26.399 1.00 0.00 H new ATOM 0 HG22 ILE B 10 33.106 18.335 24.966 1.00 0.00 H new ATOM 0 HG23 ILE B 10 33.365 17.062 26.183 1.00 0.00 H new ATOM 0 HD11 ILE B 10 37.416 17.533 27.428 1.00 0.00 H new ATOM 0 HD12 ILE B 10 37.209 18.658 26.065 1.00 0.00 H new ATOM 0 HD13 ILE B 10 35.918 18.481 27.277 1.00 0.00 H new ATOM 728 N CYS B 11 33.723 17.790 22.153 1.00 0.00 N0 ATOM 729 CA CYS B 11 32.654 18.326 21.320 1.00 0.00 C0 ATOM 730 C CYS B 11 32.043 17.218 20.477 1.00 0.00 C0 ATOM 731 O CYS B 11 30.827 17.048 20.454 1.00 0.00 O0 ATOM 732 CB CYS B 11 33.202 19.423 20.409 1.00 0.00 C0 ATOM 733 SG CYS B 11 33.607 20.881 21.400 1.00 0.00 S0 ATOM 0 H CYS B 11 34.646 18.183 21.970 1.00 0.00 H new ATOM 0 HA CYS B 11 31.884 18.748 21.966 1.00 0.00 H new ATOM 0 HB2 CYS B 11 34.090 19.067 19.886 1.00 0.00 H new ATOM 0 HB3 CYS B 11 32.466 19.680 19.648 1.00 0.00 H new ATOM 0 HG CYS B 11 34.076 21.815 20.627 1.00 0.00 H new ATOM 739 N SER B 12 32.893 16.468 19.777 1.00 0.00 N0 ATOM 740 CA SER B 12 32.408 15.385 18.933 1.00 0.00 C0 ATOM 741 C SER B 12 31.562 14.415 19.748 1.00 0.00 C0 ATOM 742 O SER B 12 30.534 13.927 19.281 1.00 0.00 O0 ATOM 743 CB SER B 12 33.593 14.636 18.322 1.00 0.00 C0 ATOM 744 OG SER B 12 33.116 13.529 17.569 1.00 0.00 O0 ATOM 0 H SER B 12 33.906 16.590 19.779 1.00 0.00 H new ATOM 0 HA SER B 12 31.794 15.810 18.139 1.00 0.00 H new ATOM 0 HB2 SER B 12 34.168 15.304 17.681 1.00 0.00 H new ATOM 0 HB3 SER B 12 34.264 14.292 19.109 1.00 0.00 H new ATOM 0 HG SER B 12 33.875 13.049 17.176 1.00 0.00 H new ATOM 750 N PHE B 13 31.998 14.141 20.971 1.00 0.00 N0 ATOM 751 CA PHE B 13 31.269 13.228 21.842 1.00 0.00 C0 ATOM 752 C PHE B 13 29.852 13.743 22.096 1.00 0.00 C0 ATOM 753 O PHE B 13 28.879 12.996 21.983 1.00 0.00 O0 ATOM 754 CB PHE B 13 32.007 13.083 23.175 1.00 0.00 C0 ATOM 755 CG PHE B 13 31.286 12.080 24.043 1.00 0.00 C0 ATOM 756 CD1 PHE B 13 31.542 10.713 23.888 1.00 0.00 C0 ATOM 757 CD2 PHE B 13 30.363 12.516 25.001 1.00 0.00 C0 ATOM 758 CE1 PHE B 13 30.875 9.780 24.690 1.00 0.00 C0 ATOM 759 CE2 PHE B 13 29.695 11.583 25.804 1.00 0.00 C0 ATOM 760 CZ PHE B 13 29.951 10.215 25.648 1.00 0.00 C0 ATOM 0 H PHE B 13 32.846 14.534 21.380 1.00 0.00 H new ATOM 0 HA PHE B 13 31.207 12.257 21.351 1.00 0.00 H new ATOM 0 HB2 PHE B 13 33.033 12.759 23.001 1.00 0.00 H new ATOM 0 HB3 PHE B 13 32.059 14.047 23.681 1.00 0.00 H new ATOM 0 HD1 PHE B 13 32.255 10.378 23.149 1.00 0.00 H new ATOM 0 HD2 PHE B 13 30.166 13.571 25.121 1.00 0.00 H new ATOM 0 HE1 PHE B 13 31.073 8.725 24.570 1.00 0.00 H new ATOM 0 HE2 PHE B 13 28.983 11.918 26.543 1.00 0.00 H new ATOM 0 HZ PHE B 13 29.436 9.495 26.267 1.00 0.00 H new ATOM 770 N ILE B 14 29.743 15.023 22.438 1.00 0.00 N0 ATOM 771 CA ILE B 14 28.438 15.625 22.704 1.00 0.00 C0 ATOM 772 C ILE B 14 27.577 15.627 21.440 1.00 0.00 C0 ATOM 773 O ILE B 14 26.382 15.313 21.480 1.00 0.00 O0 ATOM 774 CB ILE B 14 28.621 17.058 23.210 1.00 0.00 C0 ATOM 775 CG1 ILE B 14 29.304 17.030 24.582 1.00 0.00 C0 ATOM 776 CG2 ILE B 14 27.254 17.730 23.339 1.00 0.00 C0 ATOM 777 CD1 ILE B 14 29.737 18.445 24.972 1.00 0.00 C0 ATOM 0 H ILE B 14 30.534 15.660 22.537 1.00 0.00 H new ATOM 0 HA ILE B 14 27.932 15.033 23.467 1.00 0.00 H new ATOM 0 HB ILE B 14 29.238 17.617 22.506 1.00 0.00 H new ATOM 0 HG12 ILE B 14 28.621 16.629 25.331 1.00 0.00 H new ATOM 0 HG13 ILE B 14 30.170 16.369 24.554 1.00 0.00 H new ATOM 0 HG21 ILE B 14 27.383 18.751 23.699 1.00 0.00 H new ATOM 0 HG22 ILE B 14 26.764 17.748 22.365 1.00 0.00 H new ATOM 0 HG23 ILE B 14 26.639 17.171 24.044 1.00 0.00 H new ATOM 0 HD11 ILE B 14 30.222 18.421 25.948 1.00 0.00 H new ATOM 0 HD12 ILE B 14 30.436 18.830 24.229 1.00 0.00 H new ATOM 0 HD13 ILE B 14 28.862 19.094 25.018 1.00 0.00 H new ATOM 789 N LEU B 15 28.198 15.982 20.320 1.00 0.00 N0 ATOM 790 CA LEU B 15 27.498 16.025 19.045 1.00 0.00 C0 ATOM 791 C LEU B 15 27.009 14.636 18.665 1.00 0.00 C0 ATOM 792 O LEU B 15 26.006 14.492 17.971 1.00 0.00 O0 ATOM 793 CB LEU B 15 28.419 16.571 17.950 1.00 0.00 C0 ATOM 794 CG LEU B 15 28.595 18.083 18.128 1.00 0.00 C0 ATOM 795 CD1 LEU B 15 29.751 18.571 17.246 1.00 0.00 C0 ATOM 796 CD2 LEU B 15 27.301 18.798 17.714 1.00 0.00 C0 ATOM 0 H LEU B 15 29.183 16.243 20.271 1.00 0.00 H new ATOM 0 HA LEU B 15 26.638 16.688 19.145 1.00 0.00 H new ATOM 0 HB2 LEU B 15 29.388 16.075 17.996 1.00 0.00 H new ATOM 0 HB3 LEU B 15 27.998 16.358 16.968 1.00 0.00 H new ATOM 0 HG LEU B 15 28.817 18.303 19.172 1.00 0.00 H new ATOM 0 HD11 LEU B 15 29.876 19.646 17.372 1.00 0.00 H new ATOM 0 HD12 LEU B 15 30.670 18.062 17.536 1.00 0.00 H new ATOM 0 HD13 LEU B 15 29.529 18.352 16.202 1.00 0.00 H new ATOM 0 HD21 LEU B 15 27.424 19.874 17.840 1.00 0.00 H new ATOM 0 HD22 LEU B 15 27.082 18.577 16.669 1.00 0.00 H new ATOM 0 HD23 LEU B 15 26.478 18.451 18.339 1.00 0.00 H new ATOM 808 N SER B 16 27.718 13.617 19.136 1.00 0.00 N0 ATOM 809 CA SER B 16 27.338 12.242 18.851 1.00 0.00 C0 ATOM 810 C SER B 16 26.110 11.841 19.656 1.00 0.00 C0 ATOM 811 O SER B 16 25.182 11.232 19.122 1.00 0.00 O0 ATOM 812 CB SER B 16 28.494 11.304 19.180 1.00 0.00 C0 ATOM 813 OG SER B 16 29.572 11.561 18.288 1.00 0.00 O0 ATOM 0 H SER B 16 28.553 13.717 19.713 1.00 0.00 H new ATOM 0 HA SER B 16 27.098 12.167 17.790 1.00 0.00 H new ATOM 0 HB2 SER B 16 28.816 11.452 20.211 1.00 0.00 H new ATOM 0 HB3 SER B 16 28.173 10.266 19.092 1.00 0.00 H new ATOM 0 HG SER B 16 29.919 12.464 18.445 1.00 0.00 H new ATOM 819 N ALA B 17 26.115 12.176 20.946 1.00 0.00 N0 ATOM 820 CA ALA B 17 24.997 11.828 21.813 1.00 0.00 C0 ATOM 821 C ALA B 17 23.703 12.423 21.270 1.00 0.00 C0 ATOM 822 O ALA B 17 22.705 11.719 21.081 1.00 0.00 O0 ATOM 823 CB ALA B 17 25.250 12.378 23.222 1.00 0.00 C0 ATOM 0 H ALA B 17 26.872 12.682 21.406 1.00 0.00 H new ATOM 0 HA ALA B 17 24.905 10.742 21.849 1.00 0.00 H new ATOM 0 HB1 ALA B 17 24.413 12.117 23.870 1.00 0.00 H new ATOM 0 HB2 ALA B 17 26.167 11.946 23.622 1.00 0.00 H new ATOM 0 HB3 ALA B 17 25.350 13.462 23.177 1.00 0.00 H new ATOM 829 N LEU B 18 23.722 13.725 20.999 1.00 0.00 N0 ATOM 830 CA LEU B 18 22.540 14.389 20.470 1.00 0.00 C0 ATOM 831 C LEU B 18 22.229 13.866 19.074 1.00 0.00 C0 ATOM 832 O LEU B 18 21.070 13.668 18.718 1.00 0.00 O0 ATOM 833 CB LEU B 18 22.771 15.893 20.414 1.00 0.00 C0 ATOM 834 CG LEU B 18 23.171 16.392 21.803 1.00 0.00 C0 ATOM 835 CD1 LEU B 18 23.454 17.892 21.744 1.00 0.00 C0 ATOM 836 CD2 LEU B 18 22.038 16.128 22.798 1.00 0.00 C0 ATOM 0 H LEU B 18 24.531 14.332 21.135 1.00 0.00 H new ATOM 0 HA LEU B 18 21.695 14.180 21.126 1.00 0.00 H new ATOM 0 HB2 LEU B 18 23.553 16.126 19.691 1.00 0.00 H new ATOM 0 HB3 LEU B 18 21.866 16.400 20.079 1.00 0.00 H new ATOM 0 HG LEU B 18 24.066 15.862 22.129 1.00 0.00 H new ATOM 0 HD11 LEU B 18 23.739 18.248 22.734 1.00 0.00 H new ATOM 0 HD12 LEU B 18 24.266 18.082 21.042 1.00 0.00 H new ATOM 0 HD13 LEU B 18 22.559 18.418 21.413 1.00 0.00 H new ATOM 0 HD21 LEU B 18 22.330 16.486 23.785 1.00 0.00 H new ATOM 0 HD22 LEU B 18 21.139 16.652 22.473 1.00 0.00 H new ATOM 0 HD23 LEU B 18 21.837 15.058 22.845 1.00 0.00 H new ATOM 848 N HIS B 19 23.275 13.649 18.289 1.00 0.00 N0 ATOM 849 CA HIS B 19 23.106 13.156 16.933 1.00 0.00 C0 ATOM 850 C HIS B 19 22.195 11.946 16.881 1.00 0.00 C0 ATOM 851 O HIS B 19 21.222 11.938 16.134 1.00 0.00 O0 ATOM 852 CB HIS B 19 24.460 12.782 16.335 1.00 0.00 C0 ATOM 853 CG HIS B 19 24.286 11.632 15.377 1.00 0.00 C0 ATOM 854 ND1 HIS B 19 24.421 10.276 15.545 1.00 0.00 N0 flip ATOM 855 CD2 HIS B 19 23.922 11.813 14.050 1.00 0.00 C0 flip ATOM 856 CE1 HIS B 19 24.148 9.623 14.346 1.00 0.00 C0 flip ATOM 857 NE2 HIS B 19 23.852 10.595 13.479 1.00 0.00 N0 flip ATOM 0 H HIS B 19 24.244 13.806 18.567 1.00 0.00 H new ATOM 0 HA HIS B 19 22.648 13.958 16.355 1.00 0.00 H new ATOM 0 HB2 HIS B 19 24.890 13.639 15.817 1.00 0.00 H new ATOM 0 HB3 HIS B 19 25.156 12.507 17.127 1.00 0.00 H new ATOM 0 HD1 HIS B 19 24.682 9.816 16.417 1.00 0.00 H new ATOM 0 HD2 HIS B 19 23.730 12.758 13.564 1.00 0.00 H new ATOM 0 HE1 HIS B 19 24.171 8.560 14.158 1.00 0.00 H new ATOM 865 N PHE B 20 22.507 10.940 17.679 1.00 0.00 N0 ATOM 866 CA PHE B 20 21.701 9.728 17.710 1.00 0.00 C0 ATOM 867 C PHE B 20 20.395 9.959 18.456 1.00 0.00 C0 ATOM 868 O PHE B 20 19.426 9.236 18.255 1.00 0.00 O0 ATOM 869 CB PHE B 20 22.490 8.606 18.384 1.00 0.00 C0 ATOM 870 CG PHE B 20 22.785 7.517 17.379 1.00 0.00 C0 ATOM 871 CD1 PHE B 20 24.090 7.332 16.904 1.00 0.00 C0 ATOM 872 CD2 PHE B 20 21.751 6.693 16.922 1.00 0.00 C0 ATOM 873 CE1 PHE B 20 24.358 6.323 15.970 1.00 0.00 C0 ATOM 874 CE2 PHE B 20 22.018 5.684 15.991 1.00 0.00 C0 ATOM 875 CZ PHE B 20 23.319 5.500 15.514 1.00 0.00 C0 ATOM 0 H PHE B 20 23.307 10.936 18.311 1.00 0.00 H new ATOM 0 HA PHE B 20 21.462 9.446 16.684 1.00 0.00 H new ATOM 0 HB2 PHE B 20 23.421 8.998 18.794 1.00 0.00 H new ATOM 0 HB3 PHE B 20 21.921 8.199 19.219 1.00 0.00 H new ATOM 0 HD1 PHE B 20 24.889 7.967 17.258 1.00 0.00 H new ATOM 0 HD2 PHE B 20 20.745 6.836 17.289 1.00 0.00 H new ATOM 0 HE1 PHE B 20 25.363 6.179 15.602 1.00 0.00 H new ATOM 0 HE2 PHE B 20 21.219 5.047 15.641 1.00 0.00 H new ATOM 0 HZ PHE B 20 23.524 4.722 14.793 1.00 0.00 H new ATOM 885 N MET B 21 20.366 10.969 19.310 1.00 0.00 N0 ATOM 886 CA MET B 21 19.155 11.267 20.067 1.00 0.00 C0 ATOM 887 C MET B 21 18.064 11.847 19.166 1.00 0.00 C0 ATOM 888 O MET B 21 16.986 11.265 19.021 1.00 0.00 O0 ATOM 889 CB MET B 21 19.492 12.262 21.170 1.00 0.00 C0 ATOM 890 CG MET B 21 19.365 11.579 22.533 1.00 0.00 C0 ATOM 891 SD MET B 21 19.930 12.707 23.833 1.00 0.00 S0 ATOM 892 CE MET B 21 18.436 13.726 23.922 1.00 0.00 C0 ATOM 0 H MET B 21 21.153 11.590 19.497 1.00 0.00 H new ATOM 0 HA MET B 21 18.777 10.340 20.497 1.00 0.00 H new ATOM 0 HB2 MET B 21 20.505 12.641 21.035 1.00 0.00 H new ATOM 0 HB3 MET B 21 18.821 13.120 21.118 1.00 0.00 H new ATOM 0 HG2 MET B 21 18.329 11.292 22.712 1.00 0.00 H new ATOM 0 HG3 MET B 21 19.957 10.664 22.549 1.00 0.00 H new ATOM 0 HE1 MET B 21 18.698 14.771 23.760 1.00 0.00 H new ATOM 0 HE2 MET B 21 17.731 13.406 23.155 1.00 0.00 H new ATOM 0 HE3 MET B 21 17.978 13.615 24.905 1.00 0.00 H new ATOM 902 N ALA B 22 18.351 12.997 18.576 1.00 0.00 N0 ATOM 903 CA ALA B 22 17.394 13.654 17.696 1.00 0.00 C0 ATOM 904 C ALA B 22 17.129 12.815 16.450 1.00 0.00 C0 ATOM 905 O ALA B 22 15.989 12.712 15.999 1.00 0.00 O0 ATOM 906 CB ALA B 22 17.917 15.027 17.278 1.00 0.00 C0 ATOM 0 H ALA B 22 19.235 13.494 18.689 1.00 0.00 H new ATOM 0 HA ALA B 22 16.460 13.770 18.246 1.00 0.00 H new ATOM 0 HB1 ALA B 22 17.193 15.508 16.621 1.00 0.00 H new ATOM 0 HB2 ALA B 22 18.068 15.644 18.164 1.00 0.00 H new ATOM 0 HB3 ALA B 22 18.864 14.911 16.751 1.00 0.00 H new ATOM 912 N TRP B 23 18.186 12.223 15.895 1.00 0.00 N0 ATOM 913 CA TRP B 23 18.050 11.405 14.697 1.00 0.00 C0 ATOM 914 C TRP B 23 17.147 10.206 14.962 1.00 0.00 C0 ATOM 915 O TRP B 23 16.292 9.872 14.143 1.00 0.00 O0 ATOM 916 CB TRP B 23 19.425 10.921 14.243 1.00 0.00 C0 ATOM 917 CG TRP B 23 19.316 10.277 12.905 1.00 0.00 C0 ATOM 918 CD1 TRP B 23 19.515 10.903 11.724 1.00 0.00 C0 ATOM 919 CD2 TRP B 23 18.969 8.897 12.585 1.00 0.00 C0 ATOM 920 NE1 TRP B 23 19.323 9.994 10.699 1.00 0.00 N0 ATOM 921 CE2 TRP B 23 18.983 8.745 11.179 1.00 0.00 C0 ATOM 922 CE3 TRP B 23 18.650 7.773 13.370 1.00 0.00 C0 ATOM 923 CZ2 TRP B 23 18.690 7.523 10.572 1.00 0.00 C0 ATOM 924 CZ3 TRP B 23 18.355 6.541 12.762 1.00 0.00 C0 ATOM 925 CH2 TRP B 23 18.375 6.417 11.367 1.00 0.00 C0 ATOM 0 H TRP B 23 19.138 12.295 16.255 1.00 0.00 H new ATOM 0 HA TRP B 23 17.599 12.013 13.913 1.00 0.00 H new ATOM 0 HB2 TRP B 23 20.119 11.760 14.198 1.00 0.00 H new ATOM 0 HB3 TRP B 23 19.828 10.212 14.966 1.00 0.00 H new ATOM 0 HD1 TRP B 23 19.780 11.943 11.601 1.00 0.00 H new ATOM 0 HE1 TRP B 23 19.421 10.219 9.709 1.00 0.00 H new ATOM 0 HE3 TRP B 23 18.632 7.858 14.446 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 18.706 7.432 9.496 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 18.111 5.685 13.374 1.00 0.00 H new ATOM 0 HH2 TRP B 23 18.147 5.467 10.906 1.00 0.00 H new ATOM 936 N THR B 24 17.332 9.569 16.115 1.00 0.00 N0 ATOM 937 CA THR B 24 16.513 8.417 16.472 1.00 0.00 C0 ATOM 938 C THR B 24 15.047 8.818 16.632 1.00 0.00 C0 ATOM 939 O THR B 24 14.145 8.117 16.163 1.00 0.00 O0 ATOM 940 CB THR B 24 17.026 7.794 17.775 1.00 0.00 C0 ATOM 941 OG1 THR B 24 18.273 7.154 17.530 1.00 0.00 O0 ATOM 942 CG2 THR B 24 16.013 6.777 18.307 1.00 0.00 C0 ATOM 0 H THR B 24 18.033 9.827 16.810 1.00 0.00 H new ATOM 0 HA THR B 24 16.584 7.685 15.668 1.00 0.00 H new ATOM 0 HB THR B 24 17.159 8.577 18.522 1.00 0.00 H new ATOM 0 HG1 THR B 24 18.979 7.611 18.033 1.00 0.00 H new ATOM 0 HG21 THR B 24 16.388 6.341 19.233 1.00 0.00 H new ATOM 0 HG22 THR B 24 15.063 7.276 18.499 1.00 0.00 H new ATOM 0 HG23 THR B 24 15.866 5.989 17.568 1.00 0.00 H new ATOM 950 N ILE B 25 14.817 9.943 17.294 1.00 0.00 N0 ATOM 951 CA ILE B 25 13.458 10.420 17.509 1.00 0.00 C0 ATOM 952 C ILE B 25 12.777 10.697 16.174 1.00 0.00 C0 ATOM 953 O ILE B 25 11.631 10.304 15.959 1.00 0.00 O0 ATOM 954 CB ILE B 25 13.484 11.696 18.345 1.00 0.00 C0 ATOM 955 CG1 ILE B 25 13.967 11.368 19.762 1.00 0.00 C0 ATOM 956 CG2 ILE B 25 12.074 12.289 18.419 1.00 0.00 C0 ATOM 957 CD1 ILE B 25 14.321 12.663 20.496 1.00 0.00 C0 ATOM 0 H ILE B 25 15.546 10.538 17.688 1.00 0.00 H new ATOM 0 HA ILE B 25 12.897 9.650 18.039 1.00 0.00 H new ATOM 0 HB ILE B 25 14.160 12.416 17.884 1.00 0.00 H new ATOM 0 HG12 ILE B 25 13.191 10.830 20.306 1.00 0.00 H new ATOM 0 HG13 ILE B 25 14.837 10.713 19.718 1.00 0.00 H new ATOM 0 HG21 ILE B 25 12.094 13.200 19.016 1.00 0.00 H new ATOM 0 HG22 ILE B 25 11.724 12.522 17.413 1.00 0.00 H new ATOM 0 HG23 ILE B 25 11.400 11.567 18.880 1.00 0.00 H new ATOM 0 HD11 ILE B 25 14.664 12.428 21.503 1.00 0.00 H new ATOM 0 HD12 ILE B 25 15.112 13.183 19.955 1.00 0.00 H new ATOM 0 HD13 ILE B 25 13.440 13.302 20.553 1.00 0.00 H new ATOM 969 N GLY B 26 13.490 11.377 15.276 1.00 0.00 N0 ATOM 970 CA GLY B 26 12.939 11.698 13.965 1.00 0.00 C0 ATOM 971 C GLY B 26 12.578 10.426 13.208 1.00 0.00 C0 ATOM 972 O GLY B 26 11.516 10.342 12.591 1.00 0.00 O0 ATOM 0 H GLY B 26 14.441 11.712 15.432 1.00 0.00 H new ATOM 0 HA2 GLY B 26 12.053 12.323 14.080 1.00 0.00 H new ATOM 0 HA3 GLY B 26 13.664 12.275 13.391 1.00 0.00 H new ATOM 976 N HIS B 27 13.463 9.436 13.266 1.00 0.00 N0 ATOM 977 CA HIS B 27 13.221 8.170 12.590 1.00 0.00 C0 ATOM 978 C HIS B 27 11.903 7.567 13.051 1.00 0.00 C0 ATOM 979 O HIS B 27 11.124 7.061 12.242 1.00 0.00 O0 ATOM 980 CB HIS B 27 14.365 7.196 12.882 1.00 0.00 C0 ATOM 981 CG HIS B 27 13.808 5.816 13.098 1.00 0.00 C0 ATOM 982 ND1 HIS B 27 13.847 5.189 14.334 1.00 0.00 N0 ATOM 983 CD2 HIS B 27 13.193 4.930 12.250 1.00 0.00 C0 ATOM 984 CE1 HIS B 27 13.271 3.981 14.197 1.00 0.00 C0 ATOM 985 NE2 HIS B 27 12.855 3.773 12.945 1.00 0.00 N0 ATOM 0 H HIS B 27 14.348 9.486 13.771 1.00 0.00 H new ATOM 0 HA HIS B 27 13.168 8.353 11.517 1.00 0.00 H new ATOM 0 HB2 HIS B 27 15.071 7.189 12.052 1.00 0.00 H new ATOM 0 HB3 HIS B 27 14.915 7.520 13.765 1.00 0.00 H new ATOM 0 HD2 HIS B 27 13.000 5.104 11.202 1.00 0.00 H new ATOM 0 HE1 HIS B 27 13.159 3.268 15.000 1.00 0.00 H new ATOM 0 HE2 HIS B 27 12.389 2.943 12.577 1.00 0.00 H new ATOM 993 N LEU B 28 11.657 7.621 14.355 1.00 0.00 N0 ATOM 994 CA LEU B 28 10.424 7.073 14.909 1.00 0.00 C0 ATOM 995 C LEU B 28 9.296 8.100 14.836 1.00 0.00 C0 ATOM 996 O LEU B 28 9.503 9.282 15.105 1.00 0.00 O0 ATOM 997 CB LEU B 28 10.644 6.657 16.365 1.00 0.00 C0 ATOM 998 CG LEU B 28 9.367 6.014 16.919 1.00 0.00 C0 ATOM 999 CD1 LEU B 28 9.085 4.703 16.177 1.00 0.00 C0 ATOM 1000 CD2 LEU B 28 9.549 5.730 18.412 1.00 0.00 C0 ATOM 0 H LEU B 28 12.287 8.034 15.042 1.00 0.00 H new ATOM 0 HA LEU B 28 10.142 6.200 14.320 1.00 0.00 H new ATOM 0 HB2 LEU B 28 11.474 5.954 16.431 1.00 0.00 H new ATOM 0 HB3 LEU B 28 10.914 7.526 16.965 1.00 0.00 H new ATOM 0 HG LEU B 28 8.527 6.694 16.777 1.00 0.00 H new ATOM 0 HD11 LEU B 28 8.177 4.249 16.573 1.00 0.00 H new ATOM 0 HD12 LEU B 28 8.955 4.907 15.114 1.00 0.00 H new ATOM 0 HD13 LEU B 28 9.923 4.019 16.315 1.00 0.00 H new ATOM 0 HD21 LEU B 28 8.642 5.273 18.809 1.00 0.00 H new ATOM 0 HD22 LEU B 28 10.390 5.051 18.553 1.00 0.00 H new ATOM 0 HD23 LEU B 28 9.745 6.664 18.939 1.00 0.00 H new ATOM 1148 N GLU C 3 45.464 -4.284 21.119 1.00 0.00 N0 ATOM 1149 CA GLU C 3 44.209 -3.895 20.490 1.00 0.00 C0 ATOM 1150 C GLU C 3 44.462 -3.320 19.097 1.00 0.00 C0 ATOM 1151 O GLU C 3 45.563 -2.855 18.801 1.00 0.00 O0 ATOM 1152 CB GLU C 3 43.486 -2.856 21.347 1.00 0.00 C0 ATOM 1153 CG GLU C 3 42.965 -3.519 22.620 1.00 0.00 C0 ATOM 1154 CD GLU C 3 42.202 -2.503 23.459 1.00 0.00 C0 ATOM 1155 OE1 GLU C 3 42.045 -1.383 23.002 1.00 0.00 O0 ATOM 1156 OE2 GLU C 3 41.783 -2.859 24.549 1.00 0.00 O1- ATOM 0 HA GLU C 3 43.585 -4.784 20.399 1.00 0.00 H new ATOM 0 HB2 GLU C 3 44.165 -2.042 21.600 1.00 0.00 H new ATOM 0 HB3 GLU C 3 42.659 -2.419 20.787 1.00 0.00 H new ATOM 0 HG2 GLU C 3 42.314 -4.355 22.365 1.00 0.00 H new ATOM 0 HG3 GLU C 3 43.797 -3.927 23.195 1.00 0.00 H new ATOM 1163 N PRO C 4 43.469 -3.339 18.245 1.00 0.00 N0 ATOM 1164 CA PRO C 4 43.591 -2.802 16.856 1.00 0.00 C0 ATOM 1165 C PRO C 4 44.177 -1.391 16.833 1.00 0.00 C0 ATOM 1166 O PRO C 4 45.028 -1.073 16.003 1.00 0.00 O0 ATOM 1167 CB PRO C 4 42.147 -2.792 16.348 1.00 0.00 C0 ATOM 1168 CG PRO C 4 41.435 -3.829 17.151 1.00 0.00 C0 ATOM 1169 CD PRO C 4 42.122 -3.875 18.508 1.00 0.00 C0 ATOM 0 HA PRO C 4 44.265 -3.401 16.244 1.00 0.00 H new ATOM 0 HB2 PRO C 4 41.691 -1.811 16.481 1.00 0.00 H new ATOM 0 HB3 PRO C 4 42.104 -3.022 15.283 1.00 0.00 H new ATOM 0 HG2 PRO C 4 40.380 -3.578 17.259 1.00 0.00 H new ATOM 0 HG3 PRO C 4 41.483 -4.801 16.659 1.00 0.00 H new ATOM 0 HD2 PRO C 4 41.590 -3.273 19.245 1.00 0.00 H new ATOM 0 HD3 PRO C 4 42.166 -4.892 18.898 1.00 0.00 H new ATOM 1177 N PHE C 5 43.716 -0.550 17.755 1.00 0.00 N0 ATOM 1178 CA PHE C 5 44.200 0.823 17.838 1.00 0.00 C0 ATOM 1179 C PHE C 5 43.975 1.385 19.237 1.00 0.00 C0 ATOM 1180 O PHE C 5 44.920 1.797 19.911 1.00 0.00 O0 ATOM 1181 CB PHE C 5 43.480 1.698 16.808 1.00 0.00 C0 ATOM 1182 CG PHE C 5 44.169 1.572 15.470 1.00 0.00 C0 ATOM 1183 CD1 PHE C 5 43.589 0.807 14.452 1.00 0.00 C0 ATOM 1184 CD2 PHE C 5 45.390 2.221 15.249 1.00 0.00 C0 ATOM 1185 CE1 PHE C 5 44.230 0.691 13.210 1.00 0.00 C0 ATOM 1186 CE2 PHE C 5 46.031 2.106 14.008 1.00 0.00 C0 ATOM 1187 CZ PHE C 5 45.451 1.341 12.989 1.00 0.00 C0 ATOM 0 H PHE C 5 43.012 -0.794 18.451 1.00 0.00 H new ATOM 0 HA PHE C 5 45.269 0.825 17.626 1.00 0.00 H new ATOM 0 HB2 PHE C 5 42.437 1.393 16.722 1.00 0.00 H new ATOM 0 HB3 PHE C 5 43.482 2.738 17.134 1.00 0.00 H new ATOM 0 HD1 PHE C 5 42.648 0.306 14.623 1.00 0.00 H new ATOM 0 HD2 PHE C 5 45.838 2.810 16.035 1.00 0.00 H new ATOM 0 HE1 PHE C 5 43.782 0.101 12.424 1.00 0.00 H new ATOM 0 HE2 PHE C 5 46.972 2.607 13.838 1.00 0.00 H new ATOM 0 HZ PHE C 5 45.945 1.252 12.033 1.00 0.00 H new ATOM 1197 N GLN C 6 42.717 1.401 19.668 1.00 0.00 N0 ATOM 1198 CA GLN C 6 42.379 1.914 20.989 1.00 0.00 C0 ATOM 1199 C GLN C 6 40.910 1.647 21.304 1.00 0.00 C0 ATOM 1200 O GLN C 6 40.141 1.236 20.436 1.00 0.00 O0 ATOM 1201 CB GLN C 6 42.658 3.418 21.053 1.00 0.00 C0 ATOM 1202 CG GLN C 6 41.673 4.158 20.148 1.00 0.00 C0 ATOM 1203 CD GLN C 6 42.235 5.527 19.779 1.00 0.00 C0 ATOM 1204 OE1 GLN C 6 41.763 6.595 20.362 1.00 0.00 O0 flip ATOM 1205 NE2 GLN C 6 43.128 5.626 18.939 1.00 0.00 N0 flip ATOM 0 H GLN C 6 41.921 1.067 19.125 1.00 0.00 H new ATOM 0 HA GLN C 6 42.995 1.403 21.729 1.00 0.00 H new ATOM 0 HB2 GLN C 6 42.563 3.773 22.079 1.00 0.00 H new ATOM 0 HB3 GLN C 6 43.681 3.623 20.739 1.00 0.00 H new ATOM 0 HG2 GLN C 6 41.487 3.576 19.245 1.00 0.00 H new ATOM 0 HG3 GLN C 6 40.715 4.273 20.656 1.00 0.00 H new ATOM 0 HE21 GLN C 6 43.496 4.790 18.484 1.00 0.00 H new ATOM 0 HE22 GLN C 6 43.501 6.544 18.697 1.00 0.00 H new ATOM 1214 N ILE C 7 40.529 1.882 22.551 1.00 0.00 N0 ATOM 1215 CA ILE C 7 39.151 1.661 22.968 1.00 0.00 C0 ATOM 1216 C ILE C 7 38.196 2.519 22.141 1.00 0.00 C0 ATOM 1217 O ILE C 7 37.111 2.072 21.769 1.00 0.00 O0 ATOM 1218 CB ILE C 7 38.992 2.011 24.449 1.00 0.00 C0 ATOM 1219 CG1 ILE C 7 39.694 0.953 25.305 1.00 0.00 C0 ATOM 1220 CG2 ILE C 7 37.506 2.054 24.814 1.00 0.00 C0 ATOM 1221 CD1 ILE C 7 41.064 1.475 25.751 1.00 0.00 C0 ATOM 0 H ILE C 7 41.148 2.223 23.287 1.00 0.00 H new ATOM 0 HA ILE C 7 38.909 0.610 22.812 1.00 0.00 H new ATOM 0 HB ILE C 7 39.439 2.987 24.636 1.00 0.00 H new ATOM 0 HG12 ILE C 7 39.084 0.713 26.176 1.00 0.00 H new ATOM 0 HG13 ILE C 7 39.813 0.031 24.736 1.00 0.00 H new ATOM 0 HG21 ILE C 7 37.398 2.304 25.870 1.00 0.00 H new ATOM 0 HG22 ILE C 7 37.004 2.809 24.209 1.00 0.00 H new ATOM 0 HG23 ILE C 7 37.056 1.080 24.624 1.00 0.00 H new ATOM 0 HD11 ILE C 7 41.561 0.720 26.360 1.00 0.00 H new ATOM 0 HD12 ILE C 7 41.674 1.692 24.874 1.00 0.00 H new ATOM 0 HD13 ILE C 7 40.934 2.385 26.337 1.00 0.00 H new ATOM 1233 N LEU C 8 38.609 3.749 21.860 1.00 0.00 N0 ATOM 1234 CA LEU C 8 37.786 4.665 21.075 1.00 0.00 C0 ATOM 1235 C LEU C 8 37.563 4.111 19.666 1.00 0.00 C0 ATOM 1236 O LEU C 8 36.505 4.314 19.059 1.00 0.00 O0 ATOM 1237 CB LEU C 8 38.465 6.036 20.990 1.00 0.00 C0 ATOM 1238 CG LEU C 8 37.431 7.091 20.590 1.00 0.00 C0 ATOM 1239 CD1 LEU C 8 37.563 8.308 21.507 1.00 0.00 C0 ATOM 1240 CD2 LEU C 8 37.672 7.518 19.141 1.00 0.00 C0 ATOM 0 H LEU C 8 39.504 4.135 22.161 1.00 0.00 H new ATOM 0 HA LEU C 8 36.819 4.771 21.567 1.00 0.00 H new ATOM 0 HB2 LEU C 8 38.911 6.294 21.951 1.00 0.00 H new ATOM 0 HB3 LEU C 8 39.274 6.009 20.260 1.00 0.00 H new ATOM 0 HG LEU C 8 36.430 6.671 20.684 1.00 0.00 H new ATOM 0 HD11 LEU C 8 36.827 9.060 21.222 1.00 0.00 H new ATOM 0 HD12 LEU C 8 37.392 8.005 22.540 1.00 0.00 H new ATOM 0 HD13 LEU C 8 38.565 8.727 21.413 1.00 0.00 H new ATOM 0 HD21 LEU C 8 36.936 8.269 18.856 1.00 0.00 H new ATOM 0 HD22 LEU C 8 38.674 7.938 19.047 1.00 0.00 H new ATOM 0 HD23 LEU C 8 37.579 6.652 18.486 1.00 0.00 H new ATOM 1252 N SER C 9 38.562 3.394 19.162 1.00 0.00 N0 ATOM 1253 CA SER C 9 38.473 2.797 17.834 1.00 0.00 C0 ATOM 1254 C SER C 9 37.558 1.578 17.840 1.00 0.00 C0 ATOM 1255 O SER C 9 36.796 1.359 16.899 1.00 0.00 O0 ATOM 1256 CB SER C 9 39.862 2.396 17.342 1.00 0.00 C0 ATOM 1257 OG SER C 9 40.629 3.570 17.110 1.00 0.00 O0 ATOM 0 H SER C 9 39.439 3.213 19.650 1.00 0.00 H new ATOM 0 HA SER C 9 38.051 3.542 17.159 1.00 0.00 H new ATOM 0 HB2 SER C 9 40.355 1.764 18.081 1.00 0.00 H new ATOM 0 HB3 SER C 9 39.782 1.811 16.425 1.00 0.00 H new ATOM 0 HG SER C 9 41.377 3.359 16.513 1.00 0.00 H new ATOM 1263 N ILE C 10 37.633 0.793 18.908 1.00 0.00 N0 ATOM 1264 CA ILE C 10 36.803 -0.400 19.026 1.00 0.00 C0 ATOM 1265 C ILE C 10 35.325 -0.025 19.082 1.00 0.00 C0 ATOM 1266 O ILE C 10 34.498 -0.619 18.388 1.00 0.00 O0 ATOM 1267 CB ILE C 10 37.186 -1.181 20.288 1.00 0.00 C0 ATOM 1268 CG1 ILE C 10 38.580 -1.789 20.105 1.00 0.00 C0 ATOM 1269 CG2 ILE C 10 36.167 -2.298 20.532 1.00 0.00 C0 ATOM 1270 CD1 ILE C 10 39.093 -2.303 21.451 1.00 0.00 C0 ATOM 0 H ILE C 10 38.255 0.959 19.699 1.00 0.00 H new ATOM 0 HA ILE C 10 36.971 -1.024 18.149 1.00 0.00 H new ATOM 0 HB ILE C 10 37.192 -0.507 21.144 1.00 0.00 H new ATOM 0 HG12 ILE C 10 38.541 -2.605 19.383 1.00 0.00 H new ATOM 0 HG13 ILE C 10 39.265 -1.042 19.704 1.00 0.00 H new ATOM 0 HG21 ILE C 10 36.442 -2.852 21.430 1.00 0.00 H new ATOM 0 HG22 ILE C 10 35.176 -1.864 20.663 1.00 0.00 H new ATOM 0 HG23 ILE C 10 36.157 -2.975 19.677 1.00 0.00 H new ATOM 0 HD11 ILE C 10 40.085 -2.736 21.321 1.00 0.00 H new ATOM 0 HD12 ILE C 10 39.148 -1.476 22.159 1.00 0.00 H new ATOM 0 HD13 ILE C 10 38.412 -3.064 21.833 1.00 0.00 H new ATOM 1282 N CYS C 11 35.000 0.967 19.908 1.00 0.00 N0 ATOM 1283 CA CYS C 11 33.616 1.407 20.035 1.00 0.00 C0 ATOM 1284 C CYS C 11 33.114 1.939 18.702 1.00 0.00 C0 ATOM 1285 O CYS C 11 32.054 1.537 18.228 1.00 0.00 O0 ATOM 1286 CB CYS C 11 33.513 2.501 21.098 1.00 0.00 C0 ATOM 1287 SG CYS C 11 33.778 1.776 22.735 1.00 0.00 S0 ATOM 0 H CYS C 11 35.666 1.474 20.491 1.00 0.00 H new ATOM 0 HA CYS C 11 33.002 0.557 20.334 1.00 0.00 H new ATOM 0 HB2 CYS C 11 34.253 3.278 20.908 1.00 0.00 H new ATOM 0 HB3 CYS C 11 32.533 2.976 21.053 1.00 0.00 H new ATOM 0 HG CYS C 11 33.693 2.705 23.640 1.00 0.00 H new ATOM 1293 N SER C 12 33.876 2.853 18.104 1.00 0.00 N0 ATOM 1294 CA SER C 12 33.480 3.432 16.826 1.00 0.00 C0 ATOM 1295 C SER C 12 33.248 2.332 15.797 1.00 0.00 C0 ATOM 1296 O SER C 12 32.307 2.396 15.007 1.00 0.00 O0 ATOM 1297 CB SER C 12 34.574 4.374 16.326 1.00 0.00 C0 ATOM 1298 OG SER C 12 34.222 4.866 15.038 1.00 0.00 O0 ATOM 0 H SER C 12 34.758 3.203 18.478 1.00 0.00 H new ATOM 0 HA SER C 12 32.554 3.989 16.966 1.00 0.00 H new ATOM 0 HB2 SER C 12 34.701 5.203 17.022 1.00 0.00 H new ATOM 0 HB3 SER C 12 35.528 3.849 16.279 1.00 0.00 H new ATOM 0 HG SER C 12 34.922 5.472 14.717 1.00 0.00 H new ATOM 1304 N PHE C 13 34.108 1.322 15.813 1.00 0.00 N0 ATOM 1305 CA PHE C 13 33.983 0.213 14.875 1.00 0.00 C0 ATOM 1306 C PHE C 13 32.634 -0.484 15.043 1.00 0.00 C0 ATOM 1307 O PHE C 13 31.930 -0.745 14.066 1.00 0.00 O0 ATOM 1308 CB PHE C 13 35.112 -0.792 15.109 1.00 0.00 C0 ATOM 1309 CG PHE C 13 35.021 -1.900 14.086 1.00 0.00 C0 ATOM 1310 CD1 PHE C 13 35.592 -1.728 12.820 1.00 0.00 C0 ATOM 1311 CD2 PHE C 13 34.364 -3.095 14.403 1.00 0.00 C0 ATOM 1312 CE1 PHE C 13 35.507 -2.752 11.869 1.00 0.00 C0 ATOM 1313 CE2 PHE C 13 34.280 -4.120 13.451 1.00 0.00 C0 ATOM 1314 CZ PHE C 13 34.852 -3.947 12.184 1.00 0.00 C0 ATOM 0 H PHE C 13 34.894 1.247 16.459 1.00 0.00 H new ATOM 0 HA PHE C 13 34.049 0.607 13.861 1.00 0.00 H new ATOM 0 HB2 PHE C 13 36.078 -0.293 15.035 1.00 0.00 H new ATOM 0 HB3 PHE C 13 35.043 -1.205 16.115 1.00 0.00 H new ATOM 0 HD1 PHE C 13 36.098 -0.806 12.577 1.00 0.00 H new ATOM 0 HD2 PHE C 13 33.923 -3.227 15.380 1.00 0.00 H new ATOM 0 HE1 PHE C 13 35.947 -2.619 10.892 1.00 0.00 H new ATOM 0 HE2 PHE C 13 33.774 -5.043 13.694 1.00 0.00 H new ATOM 0 HZ PHE C 13 34.787 -4.737 11.450 1.00 0.00 H new ATOM 1324 N ILE C 14 32.277 -0.787 16.289 1.00 0.00 N0 ATOM 1325 CA ILE C 14 31.009 -1.456 16.571 1.00 0.00 C0 ATOM 1326 C ILE C 14 29.830 -0.562 16.179 1.00 0.00 C0 ATOM 1327 O ILE C 14 28.850 -1.023 15.582 1.00 0.00 O0 ATOM 1328 CB ILE C 14 30.925 -1.804 18.057 1.00 0.00 C0 ATOM 1329 CG1 ILE C 14 31.986 -2.856 18.394 1.00 0.00 C0 ATOM 1330 CG2 ILE C 14 29.538 -2.367 18.370 1.00 0.00 C0 ATOM 1331 CD1 ILE C 14 32.097 -3.009 19.914 1.00 0.00 C0 ATOM 0 H ILE C 14 32.842 -0.582 17.113 1.00 0.00 H new ATOM 0 HA ILE C 14 30.961 -2.372 15.982 1.00 0.00 H new ATOM 0 HB ILE C 14 31.098 -0.907 18.651 1.00 0.00 H new ATOM 0 HG12 ILE C 14 31.721 -3.811 17.941 1.00 0.00 H new ATOM 0 HG13 ILE C 14 32.949 -2.562 17.977 1.00 0.00 H new ATOM 0 HG21 ILE C 14 29.477 -2.616 19.430 1.00 0.00 H new ATOM 0 HG22 ILE C 14 28.780 -1.622 18.128 1.00 0.00 H new ATOM 0 HG23 ILE C 14 29.367 -3.265 17.776 1.00 0.00 H new ATOM 0 HD11 ILE C 14 32.853 -3.758 20.150 1.00 0.00 H new ATOM 0 HD12 ILE C 14 32.382 -2.054 20.356 1.00 0.00 H new ATOM 0 HD13 ILE C 14 31.135 -3.324 20.319 1.00 0.00 H new ATOM 1343 N LEU C 15 29.939 0.717 16.521 1.00 0.00 N0 ATOM 1344 CA LEU C 15 28.888 1.677 16.207 1.00 0.00 C0 ATOM 1345 C LEU C 15 28.723 1.804 14.701 1.00 0.00 C0 ATOM 1346 O LEU C 15 27.636 2.105 14.212 1.00 0.00 O0 ATOM 1347 CB LEU C 15 29.222 3.045 16.813 1.00 0.00 C0 ATOM 1348 CG LEU C 15 29.006 3.004 18.329 1.00 0.00 C0 ATOM 1349 CD1 LEU C 15 29.635 4.246 18.969 1.00 0.00 C0 ATOM 1350 CD2 LEU C 15 27.499 2.984 18.628 1.00 0.00 C0 ATOM 0 H LEU C 15 30.741 1.111 17.013 1.00 0.00 H new ATOM 0 HA LEU C 15 27.952 1.319 16.635 1.00 0.00 H new ATOM 0 HB2 LEU C 15 30.256 3.310 16.590 1.00 0.00 H new ATOM 0 HB3 LEU C 15 28.592 3.815 16.367 1.00 0.00 H new ATOM 0 HG LEU C 15 29.472 2.108 18.739 1.00 0.00 H new ATOM 0 HD11 LEU C 15 29.481 4.217 20.048 1.00 0.00 H new ATOM 0 HD12 LEU C 15 30.704 4.264 18.755 1.00 0.00 H new ATOM 0 HD13 LEU C 15 29.168 5.142 18.560 1.00 0.00 H new ATOM 0 HD21 LEU C 15 27.342 2.955 19.706 1.00 0.00 H new ATOM 0 HD22 LEU C 15 27.035 3.881 18.218 1.00 0.00 H new ATOM 0 HD23 LEU C 15 27.049 2.102 18.172 1.00 0.00 H new ATOM 1362 N SER C 16 29.804 1.559 13.970 1.00 0.00 N0 ATOM 1363 CA SER C 16 29.761 1.636 12.518 1.00 0.00 C0 ATOM 1364 C SER C 16 29.016 0.441 11.935 1.00 0.00 C0 ATOM 1365 O SER C 16 28.182 0.598 11.042 1.00 0.00 O0 ATOM 1366 CB SER C 16 31.177 1.680 11.959 1.00 0.00 C0 ATOM 1367 OG SER C 16 31.799 2.894 12.357 1.00 0.00 O0 ATOM 0 H SER C 16 30.714 1.307 14.357 1.00 0.00 H new ATOM 0 HA SER C 16 29.231 2.546 12.238 1.00 0.00 H new ATOM 0 HB2 SER C 16 31.751 0.827 12.322 1.00 0.00 H new ATOM 0 HB3 SER C 16 31.154 1.609 10.872 1.00 0.00 H new ATOM 0 HG SER C 16 31.918 2.897 13.330 1.00 0.00 H new ATOM 1373 N ALA C 17 29.335 -0.752 12.434 1.00 0.00 N0 ATOM 1374 CA ALA C 17 28.697 -1.965 11.939 1.00 0.00 C0 ATOM 1375 C ALA C 17 27.184 -1.870 12.106 1.00 0.00 C0 ATOM 1376 O ALA C 17 26.422 -2.066 11.155 1.00 0.00 O0 ATOM 1377 CB ALA C 17 29.214 -3.176 12.723 1.00 0.00 C0 ATOM 0 H ALA C 17 30.023 -0.902 13.172 1.00 0.00 H new ATOM 0 HA ALA C 17 28.936 -2.080 10.882 1.00 0.00 H new ATOM 0 HB1 ALA C 17 28.735 -4.082 12.351 1.00 0.00 H new ATOM 0 HB2 ALA C 17 30.293 -3.258 12.596 1.00 0.00 H new ATOM 0 HB3 ALA C 17 28.981 -3.051 13.781 1.00 0.00 H new ATOM 1383 N LEU C 18 26.745 -1.551 13.321 1.00 0.00 N0 ATOM 1384 CA LEU C 18 25.319 -1.428 13.585 1.00 0.00 C0 ATOM 1385 C LEU C 18 24.745 -0.248 12.814 1.00 0.00 C0 ATOM 1386 O LEU C 18 23.641 -0.318 12.282 1.00 0.00 O0 ATOM 1387 CB LEU C 18 25.085 -1.229 15.076 1.00 0.00 C0 ATOM 1388 CG LEU C 18 25.740 -2.375 15.847 1.00 0.00 C0 ATOM 1389 CD1 LEU C 18 25.553 -2.153 17.347 1.00 0.00 C0 ATOM 1390 CD2 LEU C 18 25.100 -3.706 15.446 1.00 0.00 C0 ATOM 0 H LEU C 18 27.347 -1.376 14.125 1.00 0.00 H new ATOM 0 HA LEU C 18 24.820 -2.341 13.261 1.00 0.00 H new ATOM 0 HB2 LEU C 18 25.502 -0.274 15.397 1.00 0.00 H new ATOM 0 HB3 LEU C 18 24.016 -1.197 15.287 1.00 0.00 H new ATOM 0 HG LEU C 18 26.804 -2.403 15.611 1.00 0.00 H new ATOM 0 HD11 LEU C 18 26.020 -2.970 17.897 1.00 0.00 H new ATOM 0 HD12 LEU C 18 26.017 -1.210 17.636 1.00 0.00 H new ATOM 0 HD13 LEU C 18 24.489 -2.121 17.580 1.00 0.00 H new ATOM 0 HD21 LEU C 18 25.572 -4.518 15.999 1.00 0.00 H new ATOM 0 HD22 LEU C 18 24.035 -3.681 15.676 1.00 0.00 H new ATOM 0 HD23 LEU C 18 25.237 -3.868 14.377 1.00 0.00 H new ATOM 1402 N HIS C 19 25.505 0.837 12.761 1.00 0.00 N0 ATOM 1403 CA HIS C 19 25.063 2.031 12.060 1.00 0.00 C0 ATOM 1404 C HIS C 19 24.566 1.711 10.664 1.00 0.00 C0 ATOM 1405 O HIS C 19 23.452 2.079 10.305 1.00 0.00 O0 ATOM 1406 CB HIS C 19 26.206 3.038 11.962 1.00 0.00 C0 ATOM 1407 CG HIS C 19 26.075 3.822 10.682 1.00 0.00 C0 ATOM 1408 ND1 HIS C 19 26.641 3.650 9.444 1.00 0.00 N0 flip ATOM 1409 CD2 HIS C 19 25.271 4.950 10.575 1.00 0.00 C0 flip ATOM 1410 CE1 HIS C 19 26.200 4.648 8.580 1.00 0.00 C0 flip ATOM 1411 NE2 HIS C 19 25.378 5.405 9.311 1.00 0.00 N0 flip ATOM 0 H HIS C 19 26.426 0.914 13.193 1.00 0.00 H new ATOM 0 HA HIS C 19 24.238 2.455 12.632 1.00 0.00 H new ATOM 0 HB2 HIS C 19 26.185 3.712 12.818 1.00 0.00 H new ATOM 0 HB3 HIS C 19 27.165 2.520 11.987 1.00 0.00 H new ATOM 0 HD1 HIS C 19 27.288 2.902 9.194 1.00 0.00 H new ATOM 0 HD2 HIS C 19 24.670 5.383 11.361 1.00 0.00 H new ATOM 0 HE1 HIS C 19 26.465 4.781 7.542 1.00 0.00 H new ATOM 1419 N PHE C 20 25.389 1.024 9.889 1.00 0.00 N0 ATOM 1420 CA PHE C 20 25.017 0.663 8.530 1.00 0.00 C0 ATOM 1421 C PHE C 20 24.004 -0.472 8.523 1.00 0.00 C0 ATOM 1422 O PHE C 20 23.270 -0.647 7.557 1.00 0.00 O0 ATOM 1423 CB PHE C 20 26.263 0.248 7.749 1.00 0.00 C0 ATOM 1424 CG PHE C 20 26.525 1.243 6.642 1.00 0.00 C0 ATOM 1425 CD1 PHE C 20 27.612 2.123 6.729 1.00 0.00 C0 ATOM 1426 CD2 PHE C 20 25.679 1.284 5.527 1.00 0.00 C0 ATOM 1427 CE1 PHE C 20 27.850 3.042 5.701 1.00 0.00 C0 ATOM 1428 CE2 PHE C 20 25.918 2.202 4.501 1.00 0.00 C0 ATOM 1429 CZ PHE C 20 27.002 3.081 4.586 1.00 0.00 C0 ATOM 0 H PHE C 20 26.315 0.706 10.175 1.00 0.00 H new ATOM 0 HA PHE C 20 24.559 1.532 8.057 1.00 0.00 H new ATOM 0 HB2 PHE C 20 27.123 0.198 8.417 1.00 0.00 H new ATOM 0 HB3 PHE C 20 26.126 -0.749 7.330 1.00 0.00 H new ATOM 0 HD1 PHE C 20 28.265 2.092 7.588 1.00 0.00 H new ATOM 0 HD2 PHE C 20 24.841 0.606 5.460 1.00 0.00 H new ATOM 0 HE1 PHE C 20 28.687 3.721 5.767 1.00 0.00 H new ATOM 0 HE2 PHE C 20 25.265 2.233 3.641 1.00 0.00 H new ATOM 0 HZ PHE C 20 27.186 3.790 3.792 1.00 0.00 H new ATOM 1439 N MET C 21 23.959 -1.239 9.600 1.00 0.00 N0 ATOM 1440 CA MET C 21 23.018 -2.349 9.684 1.00 0.00 C0 ATOM 1441 C MET C 21 21.580 -1.850 9.838 1.00 0.00 C0 ATOM 1442 O MET C 21 20.725 -2.112 8.989 1.00 0.00 O0 ATOM 1443 CB MET C 21 23.387 -3.223 10.875 1.00 0.00 C0 ATOM 1444 CG MET C 21 23.889 -4.580 10.377 1.00 0.00 C0 ATOM 1445 SD MET C 21 24.491 -5.558 11.778 1.00 0.00 S0 ATOM 1446 CE MET C 21 22.878 -6.104 12.389 1.00 0.00 C0 ATOM 0 H MET C 21 24.554 -1.118 10.420 1.00 0.00 H new ATOM 0 HA MET C 21 23.076 -2.924 8.760 1.00 0.00 H new ATOM 0 HB2 MET C 21 24.157 -2.735 11.472 1.00 0.00 H new ATOM 0 HB3 MET C 21 22.520 -3.359 11.522 1.00 0.00 H new ATOM 0 HG2 MET C 21 23.085 -5.112 9.868 1.00 0.00 H new ATOM 0 HG3 MET C 21 24.688 -4.439 9.649 1.00 0.00 H new ATOM 0 HE1 MET C 21 22.768 -5.816 13.434 1.00 0.00 H new ATOM 0 HE2 MET C 21 22.089 -5.638 11.799 1.00 0.00 H new ATOM 0 HE3 MET C 21 22.804 -7.188 12.302 1.00 0.00 H new ATOM 1456 N ALA C 22 21.326 -1.143 10.928 1.00 0.00 N0 ATOM 1457 CA ALA C 22 19.995 -0.615 11.193 1.00 0.00 C0 ATOM 1458 C ALA C 22 19.601 0.426 10.151 1.00 0.00 C0 ATOM 1459 O ALA C 22 18.456 0.455 9.700 1.00 0.00 O0 ATOM 1460 CB ALA C 22 19.945 0.018 12.582 1.00 0.00 C0 ATOM 0 H ALA C 22 22.020 -0.922 11.642 1.00 0.00 H new ATOM 0 HA ALA C 22 19.291 -1.446 11.143 1.00 0.00 H new ATOM 0 HB1 ALA C 22 18.945 0.409 12.768 1.00 0.00 H new ATOM 0 HB2 ALA C 22 20.186 -0.734 13.333 1.00 0.00 H new ATOM 0 HB3 ALA C 22 20.668 0.831 12.637 1.00 0.00 H new ATOM 1466 N TRP C 23 20.550 1.282 9.774 1.00 0.00 N0 ATOM 1467 CA TRP C 23 20.282 2.323 8.790 1.00 0.00 C0 ATOM 1468 C TRP C 23 19.890 1.709 7.451 1.00 0.00 C0 ATOM 1469 O TRP C 23 18.953 2.170 6.801 1.00 0.00 O0 ATOM 1470 CB TRP C 23 21.522 3.197 8.613 1.00 0.00 C0 ATOM 1471 CG TRP C 23 21.183 4.387 7.784 1.00 0.00 C0 ATOM 1472 CD1 TRP C 23 20.813 5.592 8.271 1.00 0.00 C0 ATOM 1473 CD2 TRP C 23 21.161 4.508 6.330 1.00 0.00 C0 ATOM 1474 NE1 TRP C 23 20.573 6.448 7.211 1.00 0.00 N0 ATOM 1475 CE2 TRP C 23 20.773 5.825 5.994 1.00 0.00 C0 ATOM 1476 CE3 TRP C 23 21.441 3.610 5.283 1.00 0.00 C0 ATOM 1477 CZ2 TRP C 23 20.664 6.239 4.667 1.00 0.00 C0 ATOM 1478 CZ3 TRP C 23 21.331 4.024 3.945 1.00 0.00 C0 ATOM 1479 CH2 TRP C 23 20.944 5.337 3.638 1.00 0.00 C0 ATOM 0 H TRP C 23 21.504 1.274 10.134 1.00 0.00 H new ATOM 0 HA TRP C 23 19.454 2.934 9.148 1.00 0.00 H new ATOM 0 HB2 TRP C 23 21.897 3.514 9.586 1.00 0.00 H new ATOM 0 HB3 TRP C 23 22.317 2.624 8.136 1.00 0.00 H new ATOM 0 HD1 TRP C 23 20.720 5.845 9.317 1.00 0.00 H new ATOM 0 HE1 TRP C 23 20.284 7.421 7.315 1.00 0.00 H new ATOM 0 HE3 TRP C 23 21.742 2.598 5.509 1.00 0.00 H new ATOM 0 HZ2 TRP C 23 20.365 7.251 4.436 1.00 0.00 H new ATOM 0 HZ3 TRP C 23 21.546 3.327 3.148 1.00 0.00 H new ATOM 0 HH2 TRP C 23 20.863 5.650 2.608 1.00 0.00 H new ATOM 1490 N THR C 24 20.604 0.663 7.047 1.00 0.00 N0 ATOM 1491 CA THR C 24 20.305 -0.006 5.786 1.00 0.00 C0 ATOM 1492 C THR C 24 18.915 -0.637 5.821 1.00 0.00 C0 ATOM 1493 O THR C 24 18.150 -0.538 4.857 1.00 0.00 O0 ATOM 1494 CB THR C 24 21.358 -1.081 5.502 1.00 0.00 C0 ATOM 1495 OG1 THR C 24 22.592 -0.457 5.171 1.00 0.00 O0 ATOM 1496 CG2 THR C 24 20.899 -1.973 4.346 1.00 0.00 C0 ATOM 0 H THR C 24 21.385 0.264 7.568 1.00 0.00 H new ATOM 0 HA THR C 24 20.325 0.738 4.990 1.00 0.00 H new ATOM 0 HB THR C 24 21.490 -1.699 6.390 1.00 0.00 H new ATOM 0 HG1 THR C 24 22.968 -0.032 5.970 1.00 0.00 H new ATOM 0 HG21 THR C 24 21.655 -2.734 4.152 1.00 0.00 H new ATOM 0 HG22 THR C 24 19.958 -2.455 4.610 1.00 0.00 H new ATOM 0 HG23 THR C 24 20.757 -1.366 3.452 1.00 0.00 H new ATOM 1504 N ILE C 25 18.595 -1.288 6.932 1.00 0.00 N0 ATOM 1505 CA ILE C 25 17.297 -1.931 7.075 1.00 0.00 C0 ATOM 1506 C ILE C 25 16.179 -0.898 6.982 1.00 0.00 C0 ATOM 1507 O ILE C 25 15.186 -1.108 6.286 1.00 0.00 O0 ATOM 1508 CB ILE C 25 17.220 -2.649 8.419 1.00 0.00 C0 ATOM 1509 CG1 ILE C 25 18.195 -3.832 8.421 1.00 0.00 C0 ATOM 1510 CG2 ILE C 25 15.797 -3.167 8.642 1.00 0.00 C0 ATOM 1511 CD1 ILE C 25 18.384 -4.338 9.853 1.00 0.00 C0 ATOM 0 H ILE C 25 19.210 -1.384 7.740 1.00 0.00 H new ATOM 0 HA ILE C 25 17.176 -2.655 6.269 1.00 0.00 H new ATOM 0 HB ILE C 25 17.484 -1.954 9.216 1.00 0.00 H new ATOM 0 HG12 ILE C 25 17.812 -4.633 7.789 1.00 0.00 H new ATOM 0 HG13 ILE C 25 19.154 -3.527 8.003 1.00 0.00 H new ATOM 0 HG21 ILE C 25 15.743 -3.680 9.602 1.00 0.00 H new ATOM 0 HG22 ILE C 25 15.100 -2.329 8.638 1.00 0.00 H new ATOM 0 HG23 ILE C 25 15.533 -3.862 7.844 1.00 0.00 H new ATOM 0 HD11 ILE C 25 19.077 -5.179 9.853 1.00 0.00 H new ATOM 0 HD12 ILE C 25 18.786 -3.536 10.472 1.00 0.00 H new ATOM 0 HD13 ILE C 25 17.423 -4.660 10.255 1.00 0.00 H new ATOM 1523 N GLY C 26 16.346 0.218 7.690 1.00 0.00 N0 ATOM 1524 CA GLY C 26 15.342 1.274 7.676 1.00 0.00 C0 ATOM 1525 C GLY C 26 15.139 1.803 6.262 1.00 0.00 C0 ATOM 1526 O GLY C 26 14.007 2.013 5.825 1.00 0.00 O0 ATOM 0 H GLY C 26 17.159 0.411 8.274 1.00 0.00 H new ATOM 0 HA2 GLY C 26 14.399 0.891 8.066 1.00 0.00 H new ATOM 0 HA3 GLY C 26 15.652 2.087 8.333 1.00 0.00 H new ATOM 1530 N HIS C 27 16.242 2.009 5.547 1.00 0.00 N0 ATOM 1531 CA HIS C 27 16.170 2.504 4.180 1.00 0.00 C0 ATOM 1532 C HIS C 27 15.293 1.594 3.333 1.00 0.00 C0 ATOM 1533 O HIS C 27 14.477 2.064 2.541 1.00 0.00 O0 ATOM 1534 CB HIS C 27 17.576 2.576 3.578 1.00 0.00 C0 ATOM 1535 CG HIS C 27 17.534 2.120 2.146 1.00 0.00 C0 ATOM 1536 ND1 HIS C 27 18.136 0.943 1.728 1.00 0.00 N0 ATOM 1537 CD2 HIS C 27 16.964 2.666 1.025 1.00 0.00 C0 ATOM 1538 CE1 HIS C 27 17.917 0.820 0.407 1.00 0.00 C0 ATOM 1539 NE2 HIS C 27 17.207 1.845 -0.073 1.00 0.00 N0 ATOM 0 H HIS C 27 17.188 1.842 5.890 1.00 0.00 H new ATOM 0 HA HIS C 27 15.732 3.502 4.192 1.00 0.00 H new ATOM 0 HB2 HIS C 27 17.955 3.596 3.635 1.00 0.00 H new ATOM 0 HB3 HIS C 27 18.260 1.949 4.150 1.00 0.00 H new ATOM 0 HD2 HIS C 27 16.410 3.593 0.998 1.00 0.00 H new ATOM 0 HE1 HIS C 27 18.271 -0.006 -0.192 1.00 0.00 H new ATOM 0 HE2 HIS C 27 16.907 1.994 -1.037 1.00 0.00 H new ATOM 1547 N LEU C 28 15.469 0.288 3.502 1.00 0.00 N0 ATOM 1548 CA LEU C 28 14.685 -0.678 2.741 1.00 0.00 C0 ATOM 1549 C LEU C 28 13.348 -0.948 3.428 1.00 0.00 C0 ATOM 1550 O LEU C 28 13.282 -1.073 4.650 1.00 0.00 O0 ATOM 1551 CB LEU C 28 15.461 -1.989 2.599 1.00 0.00 C0 ATOM 1552 CG LEU C 28 14.663 -2.975 1.739 1.00 0.00 C0 ATOM 1553 CD1 LEU C 28 14.543 -2.434 0.310 1.00 0.00 C0 ATOM 1554 CD2 LEU C 28 15.379 -4.327 1.718 1.00 0.00 C0 ATOM 0 H LEU C 28 16.140 -0.123 4.151 1.00 0.00 H new ATOM 0 HA LEU C 28 14.495 -0.260 1.752 1.00 0.00 H new ATOM 0 HB2 LEU C 28 16.433 -1.799 2.144 1.00 0.00 H new ATOM 0 HB3 LEU C 28 15.648 -2.419 3.583 1.00 0.00 H new ATOM 0 HG LEU C 28 13.666 -3.099 2.161 1.00 0.00 H new ATOM 0 HD11 LEU C 28 13.975 -3.137 -0.299 1.00 0.00 H new ATOM 0 HD12 LEU C 28 14.030 -1.472 0.327 1.00 0.00 H new ATOM 0 HD13 LEU C 28 15.538 -2.307 -0.116 1.00 0.00 H new ATOM 0 HD21 LEU C 28 14.812 -5.029 1.107 1.00 0.00 H new ATOM 0 HD22 LEU C 28 16.377 -4.204 1.298 1.00 0.00 H new ATOM 0 HD23 LEU C 28 15.458 -4.713 2.734 1.00 0.00 H new ATOM 1702 N GLU D 3 51.624 6.026 1.776 1.00 0.00 N0 ATOM 1703 CA GLU D 3 50.174 6.152 1.756 1.00 0.00 C0 ATOM 1704 C GLU D 3 49.745 7.510 2.310 1.00 0.00 C0 ATOM 1705 O GLU D 3 50.491 8.147 3.054 1.00 0.00 O0 ATOM 1706 CB GLU D 3 49.534 5.037 2.583 1.00 0.00 C0 ATOM 1707 CG GLU D 3 49.710 3.703 1.859 1.00 0.00 C0 ATOM 1708 CD GLU D 3 49.033 2.591 2.650 1.00 0.00 C0 ATOM 1709 OE1 GLU D 3 48.419 2.897 3.659 1.00 0.00 O0 ATOM 1710 OE2 GLU D 3 49.136 1.449 2.234 1.00 0.00 O1- ATOM 0 HA GLU D 3 49.839 6.070 0.722 1.00 0.00 H new ATOM 0 HB2 GLU D 3 49.994 4.991 3.570 1.00 0.00 H new ATOM 0 HB3 GLU D 3 48.475 5.244 2.735 1.00 0.00 H new ATOM 0 HG2 GLU D 3 49.281 3.763 0.859 1.00 0.00 H new ATOM 0 HG3 GLU D 3 50.770 3.482 1.738 1.00 0.00 H new ATOM 1717 N PRO D 4 48.564 7.958 1.967 1.00 0.00 N0 ATOM 1718 CA PRO D 4 48.032 9.268 2.448 1.00 0.00 C0 ATOM 1719 C PRO D 4 48.143 9.412 3.965 1.00 0.00 C0 ATOM 1720 O PRO D 4 48.520 10.468 4.473 1.00 0.00 O0 ATOM 1721 CB PRO D 4 46.562 9.239 2.015 1.00 0.00 C0 ATOM 1722 CG PRO D 4 46.508 8.297 0.859 1.00 0.00 C0 ATOM 1723 CD PRO D 4 47.608 7.270 1.085 1.00 0.00 C0 ATOM 0 HA PRO D 4 48.589 10.111 2.040 1.00 0.00 H new ATOM 0 HB2 PRO D 4 45.920 8.901 2.828 1.00 0.00 H new ATOM 0 HB3 PRO D 4 46.217 10.233 1.729 1.00 0.00 H new ATOM 0 HG2 PRO D 4 45.533 7.814 0.798 1.00 0.00 H new ATOM 0 HG3 PRO D 4 46.660 8.828 -0.081 1.00 0.00 H new ATOM 0 HD2 PRO D 4 47.218 6.364 1.549 1.00 0.00 H new ATOM 0 HD3 PRO D 4 48.075 6.972 0.146 1.00 0.00 H new ATOM 1731 N PHE D 5 47.816 8.340 4.681 1.00 0.00 N0 ATOM 1732 CA PHE D 5 47.886 8.353 6.139 1.00 0.00 C0 ATOM 1733 C PHE D 5 48.016 6.933 6.678 1.00 0.00 C0 ATOM 1734 O PHE D 5 48.978 6.610 7.374 1.00 0.00 O0 ATOM 1735 CB PHE D 5 46.631 9.013 6.720 1.00 0.00 C0 ATOM 1736 CG PHE D 5 46.812 10.511 6.734 1.00 0.00 C0 ATOM 1737 CD1 PHE D 5 46.158 11.305 5.783 1.00 0.00 C0 ATOM 1738 CD2 PHE D 5 47.633 11.108 7.698 1.00 0.00 C0 ATOM 1739 CE1 PHE D 5 46.327 12.696 5.797 1.00 0.00 C0 ATOM 1740 CE2 PHE D 5 47.802 12.498 7.712 1.00 0.00 C0 ATOM 1741 CZ PHE D 5 47.150 13.292 6.761 1.00 0.00 C0 ATOM 0 H PHE D 5 47.502 7.457 4.279 1.00 0.00 H new ATOM 0 HA PHE D 5 48.764 8.926 6.438 1.00 0.00 H new ATOM 0 HB2 PHE D 5 45.758 8.747 6.124 1.00 0.00 H new ATOM 0 HB3 PHE D 5 46.450 8.648 7.731 1.00 0.00 H new ATOM 0 HD1 PHE D 5 45.524 10.845 5.039 1.00 0.00 H new ATOM 0 HD2 PHE D 5 48.137 10.496 8.432 1.00 0.00 H new ATOM 0 HE1 PHE D 5 45.823 13.309 5.064 1.00 0.00 H new ATOM 0 HE2 PHE D 5 48.435 12.958 8.456 1.00 0.00 H new ATOM 0 HZ PHE D 5 47.282 14.364 6.771 1.00 0.00 H new ATOM 1751 N GLN D 6 47.039 6.090 6.354 1.00 0.00 N0 ATOM 1752 CA GLN D 6 47.055 4.706 6.812 1.00 0.00 C0 ATOM 1753 C GLN D 6 45.932 3.913 6.150 1.00 0.00 C0 ATOM 1754 O GLN D 6 45.058 4.480 5.493 1.00 0.00 O0 ATOM 1755 CB GLN D 6 46.896 4.656 8.333 1.00 0.00 C0 ATOM 1756 CG GLN D 6 45.488 5.116 8.714 1.00 0.00 C0 ATOM 1757 CD GLN D 6 45.467 5.579 10.166 1.00 0.00 C0 ATOM 1758 OE1 GLN D 6 45.935 6.675 10.474 1.00 0.00 O0 ATOM 1759 NE2 GLN D 6 44.952 4.807 11.083 1.00 0.00 N0 ATOM 0 H GLN D 6 46.233 6.339 5.781 1.00 0.00 H new ATOM 0 HA GLN D 6 48.011 4.260 6.536 1.00 0.00 H new ATOM 0 HB2 GLN D 6 47.069 3.642 8.694 1.00 0.00 H new ATOM 0 HB3 GLN D 6 47.640 5.295 8.808 1.00 0.00 H new ATOM 0 HG2 GLN D 6 45.172 5.929 8.060 1.00 0.00 H new ATOM 0 HG3 GLN D 6 44.779 4.300 8.573 1.00 0.00 H new ATOM 0 HE21 GLN D 6 44.564 3.899 10.827 1.00 0.00 H new ATOM 0 HE22 GLN D 6 44.937 5.111 12.056 1.00 0.00 H new ATOM 1768 N ILE D 7 45.963 2.602 6.324 1.00 0.00 N0 ATOM 1769 CA ILE D 7 44.944 1.740 5.738 1.00 0.00 C0 ATOM 1770 C ILE D 7 43.557 2.130 6.243 1.00 0.00 C0 ATOM 1771 O ILE D 7 42.587 2.122 5.486 1.00 0.00 O0 ATOM 1772 CB ILE D 7 45.225 0.280 6.099 1.00 0.00 C0 ATOM 1773 CG1 ILE D 7 46.452 -0.213 5.331 1.00 0.00 C0 ATOM 1774 CG2 ILE D 7 44.015 -0.583 5.731 1.00 0.00 C0 ATOM 1775 CD1 ILE D 7 47.681 -0.181 6.245 1.00 0.00 C0 ATOM 0 H ILE D 7 46.677 2.112 6.862 1.00 0.00 H new ATOM 0 HA ILE D 7 44.973 1.860 4.655 1.00 0.00 H new ATOM 0 HB ILE D 7 45.413 0.205 7.170 1.00 0.00 H new ATOM 0 HG12 ILE D 7 46.283 -1.227 4.969 1.00 0.00 H new ATOM 0 HG13 ILE D 7 46.621 0.414 4.456 1.00 0.00 H new ATOM 0 HG21 ILE D 7 44.218 -1.622 5.989 1.00 0.00 H new ATOM 0 HG22 ILE D 7 43.140 -0.236 6.281 1.00 0.00 H new ATOM 0 HG23 ILE D 7 43.825 -0.505 4.661 1.00 0.00 H new ATOM 0 HD11 ILE D 7 48.553 -0.533 5.694 1.00 0.00 H new ATOM 0 HD12 ILE D 7 47.855 0.840 6.586 1.00 0.00 H new ATOM 0 HD13 ILE D 7 47.511 -0.827 7.106 1.00 0.00 H new ATOM 1787 N LEU D 8 43.477 2.469 7.525 1.00 0.00 N0 ATOM 1788 CA LEU D 8 42.206 2.863 8.127 1.00 0.00 C0 ATOM 1789 C LEU D 8 41.673 4.136 7.466 1.00 0.00 C0 ATOM 1790 O LEU D 8 40.458 4.322 7.327 1.00 0.00 O0 ATOM 1791 CB LEU D 8 42.389 3.098 9.630 1.00 0.00 C0 ATOM 1792 CG LEU D 8 41.026 3.051 10.321 1.00 0.00 C0 ATOM 1793 CD1 LEU D 8 41.115 2.169 11.568 1.00 0.00 C0 ATOM 1794 CD2 LEU D 8 40.611 4.467 10.730 1.00 0.00 C0 ATOM 0 H LEU D 8 44.271 2.479 8.165 1.00 0.00 H new ATOM 0 HA LEU D 8 41.486 2.059 7.973 1.00 0.00 H new ATOM 0 HB2 LEU D 8 43.048 2.339 10.050 1.00 0.00 H new ATOM 0 HB3 LEU D 8 42.864 4.064 9.803 1.00 0.00 H new ATOM 0 HG LEU D 8 40.287 2.638 9.635 1.00 0.00 H new ATOM 0 HD11 LEU D 8 40.143 2.136 12.060 1.00 0.00 H new ATOM 0 HD12 LEU D 8 41.410 1.160 11.280 1.00 0.00 H new ATOM 0 HD13 LEU D 8 41.855 2.582 12.254 1.00 0.00 H new ATOM 0 HD21 LEU D 8 39.639 4.433 11.223 1.00 0.00 H new ATOM 0 HD22 LEU D 8 41.351 4.879 11.416 1.00 0.00 H new ATOM 0 HD23 LEU D 8 40.547 5.098 9.843 1.00 0.00 H new ATOM 1806 N SER D 9 42.591 4.997 7.042 1.00 0.00 N0 ATOM 1807 CA SER D 9 42.218 6.243 6.380 1.00 0.00 C0 ATOM 1808 C SER D 9 41.749 5.988 4.953 1.00 0.00 C0 ATOM 1809 O SER D 9 40.801 6.613 4.480 1.00 0.00 O0 ATOM 1810 CB SER D 9 43.399 7.209 6.371 1.00 0.00 C0 ATOM 1811 OG SER D 9 43.670 7.627 7.701 1.00 0.00 O0 ATOM 0 H SER D 9 43.596 4.857 7.144 1.00 0.00 H new ATOM 0 HA SER D 9 41.394 6.686 6.938 1.00 0.00 H new ATOM 0 HB2 SER D 9 44.277 6.725 5.943 1.00 0.00 H new ATOM 0 HB3 SER D 9 43.174 8.072 5.745 1.00 0.00 H new ATOM 0 HG SER D 9 44.046 8.532 7.689 1.00 0.00 H new ATOM 1817 N ILE D 10 42.416 5.060 4.273 1.00 0.00 N0 ATOM 1818 CA ILE D 10 42.057 4.729 2.900 1.00 0.00 C0 ATOM 1819 C ILE D 10 40.650 4.138 2.838 1.00 0.00 C0 ATOM 1820 O ILE D 10 39.839 4.532 1.998 1.00 0.00 O0 ATOM 1821 CB ILE D 10 43.064 3.728 2.323 1.00 0.00 C0 ATOM 1822 CG1 ILE D 10 44.416 4.424 2.130 1.00 0.00 C0 ATOM 1823 CG2 ILE D 10 42.558 3.207 0.974 1.00 0.00 C0 ATOM 1824 CD1 ILE D 10 45.493 3.375 1.852 1.00 0.00 C0 ATOM 0 H ILE D 10 43.202 4.528 4.648 1.00 0.00 H new ATOM 0 HA ILE D 10 42.077 5.644 2.309 1.00 0.00 H new ATOM 0 HB ILE D 10 43.179 2.890 3.011 1.00 0.00 H new ATOM 0 HG12 ILE D 10 44.359 5.130 1.302 1.00 0.00 H new ATOM 0 HG13 ILE D 10 44.673 4.997 3.021 1.00 0.00 H new ATOM 0 HG21 ILE D 10 43.276 2.496 0.566 1.00 0.00 H new ATOM 0 HG22 ILE D 10 41.596 2.713 1.112 1.00 0.00 H new ATOM 0 HG23 ILE D 10 42.441 4.041 0.282 1.00 0.00 H new ATOM 0 HD11 ILE D 10 46.455 3.869 1.715 1.00 0.00 H new ATOM 0 HD12 ILE D 10 45.556 2.686 2.694 1.00 0.00 H new ATOM 0 HD13 ILE D 10 45.237 2.821 0.949 1.00 0.00 H new ATOM 1836 N CYS D 11 40.369 3.194 3.733 1.00 0.00 N0 ATOM 1837 CA CYS D 11 39.055 2.564 3.764 1.00 0.00 C0 ATOM 1838 C CYS D 11 37.986 3.604 4.064 1.00 0.00 C0 ATOM 1839 O CYS D 11 36.989 3.699 3.352 1.00 0.00 O0 ATOM 1840 CB CYS D 11 39.025 1.472 4.832 1.00 0.00 C0 ATOM 1841 SG CYS D 11 40.045 0.077 4.295 1.00 0.00 S0 ATOM 0 H CYS D 11 41.024 2.853 4.436 1.00 0.00 H new ATOM 0 HA CYS D 11 38.856 2.117 2.790 1.00 0.00 H new ATOM 0 HB2 CYS D 11 39.395 1.864 5.779 1.00 0.00 H new ATOM 0 HB3 CYS D 11 38.000 1.143 5.002 1.00 0.00 H new ATOM 0 HG CYS D 11 40.022 -0.852 5.204 1.00 0.00 H new ATOM 1847 N SER D 12 38.195 4.379 5.126 1.00 0.00 N0 ATOM 1848 CA SER D 12 37.228 5.403 5.503 1.00 0.00 C0 ATOM 1849 C SER D 12 36.972 6.347 4.336 1.00 0.00 C0 ATOM 1850 O SER D 12 35.838 6.753 4.091 1.00 0.00 O0 ATOM 1851 CB SER D 12 37.759 6.199 6.694 1.00 0.00 C0 ATOM 1852 OG SER D 12 36.858 7.258 6.994 1.00 0.00 O0 ATOM 0 H SER D 12 39.013 4.318 5.732 1.00 0.00 H new ATOM 0 HA SER D 12 36.292 4.916 5.776 1.00 0.00 H new ATOM 0 HB2 SER D 12 37.872 5.547 7.560 1.00 0.00 H new ATOM 0 HB3 SER D 12 38.746 6.600 6.466 1.00 0.00 H new ATOM 0 HG SER D 12 37.196 7.769 7.759 1.00 0.00 H new ATOM 1858 N PHE D 13 38.033 6.690 3.615 1.00 0.00 N0 ATOM 1859 CA PHE D 13 37.908 7.588 2.474 1.00 0.00 C0 ATOM 1860 C PHE D 13 36.964 6.999 1.426 1.00 0.00 C0 ATOM 1861 O PHE D 13 36.068 7.682 0.929 1.00 0.00 O0 ATOM 1862 CB PHE D 13 39.284 7.823 1.848 1.00 0.00 C0 ATOM 1863 CG PHE D 13 39.159 8.812 0.714 1.00 0.00 C0 ATOM 1864 CD1 PHE D 13 39.176 10.186 0.982 1.00 0.00 C0 ATOM 1865 CD2 PHE D 13 39.025 8.358 -0.604 1.00 0.00 C0 ATOM 1866 CE1 PHE D 13 39.058 11.106 -0.067 1.00 0.00 C0 ATOM 1867 CE2 PHE D 13 38.908 9.278 -1.652 1.00 0.00 C0 ATOM 1868 CZ PHE D 13 38.924 10.653 -1.383 1.00 0.00 C0 ATOM 0 H PHE D 13 38.982 6.363 3.798 1.00 0.00 H new ATOM 0 HA PHE D 13 37.497 8.536 2.823 1.00 0.00 H new ATOM 0 HB2 PHE D 13 39.977 8.201 2.599 1.00 0.00 H new ATOM 0 HB3 PHE D 13 39.694 6.882 1.481 1.00 0.00 H new ATOM 0 HD1 PHE D 13 39.280 10.536 1.998 1.00 0.00 H new ATOM 0 HD2 PHE D 13 39.012 7.298 -0.812 1.00 0.00 H new ATOM 0 HE1 PHE D 13 39.070 12.166 0.140 1.00 0.00 H new ATOM 0 HE2 PHE D 13 38.805 8.928 -2.669 1.00 0.00 H new ATOM 0 HZ PHE D 13 38.833 11.363 -2.192 1.00 0.00 H new ATOM 1878 N ILE D 14 37.170 5.728 1.096 1.00 0.00 N0 ATOM 1879 CA ILE D 14 36.329 5.058 0.105 1.00 0.00 C0 ATOM 1880 C ILE D 14 34.886 4.960 0.602 1.00 0.00 C0 ATOM 1881 O ILE D 14 33.935 5.201 -0.149 1.00 0.00 O0 ATOM 1882 CB ILE D 14 36.877 3.659 -0.181 1.00 0.00 C0 ATOM 1883 CG1 ILE D 14 38.242 3.778 -0.868 1.00 0.00 C0 ATOM 1884 CG2 ILE D 14 35.910 2.913 -1.102 1.00 0.00 C0 ATOM 1885 CD1 ILE D 14 38.919 2.405 -0.913 1.00 0.00 C0 ATOM 0 H ILE D 14 37.905 5.144 1.495 1.00 0.00 H new ATOM 0 HA ILE D 14 36.340 5.644 -0.814 1.00 0.00 H new ATOM 0 HB ILE D 14 36.985 3.112 0.755 1.00 0.00 H new ATOM 0 HG12 ILE D 14 38.118 4.166 -1.879 1.00 0.00 H new ATOM 0 HG13 ILE D 14 38.871 4.487 -0.329 1.00 0.00 H new ATOM 0 HG21 ILE D 14 36.299 1.916 -1.307 1.00 0.00 H new ATOM 0 HG22 ILE D 14 34.937 2.831 -0.618 1.00 0.00 H new ATOM 0 HG23 ILE D 14 35.804 3.461 -2.039 1.00 0.00 H new ATOM 0 HD11 ILE D 14 39.889 2.494 -1.402 1.00 0.00 H new ATOM 0 HD12 ILE D 14 39.057 2.034 0.103 1.00 0.00 H new ATOM 0 HD13 ILE D 14 38.293 1.709 -1.472 1.00 0.00 H new ATOM 1897 N LEU D 15 34.737 4.606 1.874 1.00 0.00 N0 ATOM 1898 CA LEU D 15 33.418 4.476 2.475 1.00 0.00 C0 ATOM 1899 C LEU D 15 32.705 5.818 2.477 1.00 0.00 C0 ATOM 1900 O LEU D 15 31.479 5.878 2.432 1.00 0.00 O0 ATOM 1901 CB LEU D 15 33.537 3.946 3.908 1.00 0.00 C0 ATOM 1902 CG LEU D 15 33.891 2.456 3.881 1.00 0.00 C0 ATOM 1903 CD1 LEU D 15 34.319 2.005 5.282 1.00 0.00 C0 ATOM 1904 CD2 LEU D 15 32.662 1.648 3.438 1.00 0.00 C0 ATOM 0 H LEU D 15 35.512 4.405 2.506 1.00 0.00 H new ATOM 0 HA LEU D 15 32.837 3.768 1.884 1.00 0.00 H new ATOM 0 HB2 LEU D 15 34.303 4.502 4.449 1.00 0.00 H new ATOM 0 HB3 LEU D 15 32.598 4.097 4.441 1.00 0.00 H new ATOM 0 HG LEU D 15 34.710 2.290 3.181 1.00 0.00 H new ATOM 0 HD11 LEU D 15 34.571 0.945 5.262 1.00 0.00 H new ATOM 0 HD12 LEU D 15 35.190 2.579 5.599 1.00 0.00 H new ATOM 0 HD13 LEU D 15 33.501 2.170 5.983 1.00 0.00 H new ATOM 0 HD21 LEU D 15 32.912 0.587 3.418 1.00 0.00 H new ATOM 0 HD22 LEU D 15 31.845 1.815 4.139 1.00 0.00 H new ATOM 0 HD23 LEU D 15 32.356 1.967 2.442 1.00 0.00 H new ATOM 1916 N SER D 16 33.482 6.894 2.516 1.00 0.00 N0 ATOM 1917 CA SER D 16 32.910 8.233 2.508 1.00 0.00 C0 ATOM 1918 C SER D 16 32.385 8.588 1.122 1.00 0.00 C0 ATOM 1919 O SER D 16 31.283 9.122 0.989 1.00 0.00 O0 ATOM 1920 CB SER D 16 33.963 9.247 2.932 1.00 0.00 C0 ATOM 1921 OG SER D 16 34.317 9.017 4.289 1.00 0.00 O0 ATOM 0 H SER D 16 34.501 6.866 2.553 1.00 0.00 H new ATOM 0 HA SER D 16 32.078 8.256 3.211 1.00 0.00 H new ATOM 0 HB2 SER D 16 34.843 9.162 2.295 1.00 0.00 H new ATOM 0 HB3 SER D 16 33.579 10.260 2.811 1.00 0.00 H new ATOM 0 HG SER D 16 34.778 8.156 4.365 1.00 0.00 H new ATOM 1927 N ALA D 17 33.186 8.301 0.096 1.00 0.00 N0 ATOM 1928 CA ALA D 17 32.790 8.612 -1.272 1.00 0.00 C0 ATOM 1929 C ALA D 17 31.473 7.921 -1.608 1.00 0.00 C0 ATOM 1930 O ALA D 17 30.516 8.556 -2.062 1.00 0.00 O0 ATOM 1931 CB ALA D 17 33.874 8.130 -2.243 1.00 0.00 C0 ATOM 0 H ALA D 17 34.101 7.859 0.186 1.00 0.00 H new ATOM 0 HA ALA D 17 32.664 9.691 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA D 17 33.576 8.363 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA D 17 34.815 8.631 -2.016 1.00 0.00 H new ATOM 0 HB3 ALA D 17 34.002 7.053 -2.139 1.00 0.00 H new ATOM 1937 N LEU D 18 31.416 6.614 -1.368 1.00 0.00 N0 ATOM 1938 CA LEU D 18 30.202 5.860 -1.648 1.00 0.00 C0 ATOM 1939 C LEU D 18 29.082 6.313 -0.723 1.00 0.00 C0 ATOM 1940 O LEU D 18 27.931 6.430 -1.134 1.00 0.00 O0 ATOM 1941 CB LEU D 18 30.458 4.373 -1.452 1.00 0.00 C0 ATOM 1942 CG LEU D 18 31.642 3.946 -2.321 1.00 0.00 C0 ATOM 1943 CD1 LEU D 18 31.934 2.464 -2.094 1.00 0.00 C0 ATOM 1944 CD2 LEU D 18 31.314 4.178 -3.798 1.00 0.00 C0 ATOM 0 H LEU D 18 32.185 6.063 -0.986 1.00 0.00 H new ATOM 0 HA LEU D 18 29.906 6.040 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU D 18 30.667 4.163 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU D 18 29.570 3.801 -1.720 1.00 0.00 H new ATOM 0 HG LEU D 18 32.516 4.538 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU D 18 32.778 2.160 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU D 18 32.176 2.297 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU D 18 31.057 1.875 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU D 18 32.161 3.872 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU D 18 30.437 3.592 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU D 18 31.110 5.236 -3.964 1.00 0.00 H new ATOM 1956 N HIS D 19 29.431 6.565 0.532 1.00 0.00 N0 ATOM 1957 CA HIS D 19 28.449 6.997 1.513 1.00 0.00 C0 ATOM 1958 C HIS D 19 27.608 8.149 0.999 1.00 0.00 C0 ATOM 1959 O HIS D 19 26.383 8.075 1.016 1.00 0.00 O0 ATOM 1960 CB HIS D 19 29.145 7.428 2.800 1.00 0.00 C0 ATOM 1961 CG HIS D 19 28.354 8.534 3.452 1.00 0.00 C0 ATOM 1962 ND1 HIS D 19 28.473 9.899 3.389 1.00 0.00 N0 flip ATOM 1963 CD2 HIS D 19 27.280 8.287 4.296 1.00 0.00 C0 flip ATOM 1964 CE1 HIS D 19 27.492 10.495 4.176 1.00 0.00 C0 flip ATOM 1965 NE2 HIS D 19 26.801 9.480 4.701 1.00 0.00 N0 flip ATOM 0 H HIS D 19 30.382 6.478 0.891 1.00 0.00 H new ATOM 0 HA HIS D 19 27.792 6.149 1.707 1.00 0.00 H new ATOM 0 HB2 HIS D 19 29.234 6.580 3.480 1.00 0.00 H new ATOM 0 HB3 HIS D 19 30.157 7.770 2.582 1.00 0.00 H new ATOM 0 HD1 HIS D 19 29.175 10.402 2.847 1.00 0.00 H new ATOM 0 HD2 HIS D 19 26.898 7.317 4.577 1.00 0.00 H new ATOM 0 HE1 HIS D 19 27.325 11.551 4.329 1.00 0.00 H new ATOM 1973 N PHE D 20 28.266 9.198 0.537 1.00 0.00 N0 ATOM 1974 CA PHE D 20 27.560 10.361 0.021 1.00 0.00 C0 ATOM 1975 C PHE D 20 26.979 10.080 -1.356 1.00 0.00 C0 ATOM 1976 O PHE D 20 26.034 10.735 -1.781 1.00 0.00 O0 ATOM 1977 CB PHE D 20 28.516 11.549 -0.054 1.00 0.00 C0 ATOM 1978 CG PHE D 20 28.076 12.619 0.918 1.00 0.00 C0 ATOM 1979 CD1 PHE D 20 28.825 12.871 2.075 1.00 0.00 C0 ATOM 1980 CD2 PHE D 20 26.918 13.362 0.660 1.00 0.00 C0 ATOM 1981 CE1 PHE D 20 28.414 13.864 2.971 1.00 0.00 C0 ATOM 1982 CE2 PHE D 20 26.507 14.355 1.555 1.00 0.00 C0 ATOM 1983 CZ PHE D 20 27.255 14.607 2.710 1.00 0.00 C0 ATOM 0 H PHE D 20 29.283 9.270 0.508 1.00 0.00 H new ATOM 0 HA PHE D 20 26.738 10.593 0.698 1.00 0.00 H new ATOM 0 HB2 PHE D 20 29.531 11.227 0.180 1.00 0.00 H new ATOM 0 HB3 PHE D 20 28.534 11.950 -1.067 1.00 0.00 H new ATOM 0 HD1 PHE D 20 29.719 12.299 2.275 1.00 0.00 H new ATOM 0 HD2 PHE D 20 26.341 13.168 -0.232 1.00 0.00 H new ATOM 0 HE1 PHE D 20 28.990 14.058 3.864 1.00 0.00 H new ATOM 0 HE2 PHE D 20 25.613 14.927 1.355 1.00 0.00 H new ATOM 0 HZ PHE D 20 26.939 15.375 3.401 1.00 0.00 H new ATOM 1993 N MET D 21 27.537 9.103 -2.053 1.00 0.00 N0 ATOM 1994 CA MET D 21 27.044 8.762 -3.381 1.00 0.00 C0 ATOM 1995 C MET D 21 25.674 8.085 -3.313 1.00 0.00 C0 ATOM 1996 O MET D 21 24.687 8.593 -3.852 1.00 0.00 O0 ATOM 1997 CB MET D 21 28.041 7.829 -4.055 1.00 0.00 C0 ATOM 1998 CG MET D 21 28.700 8.549 -5.233 1.00 0.00 C0 ATOM 1999 SD MET D 21 30.003 7.502 -5.933 1.00 0.00 S0 ATOM 2000 CE MET D 21 28.929 6.397 -6.883 1.00 0.00 C0 ATOM 0 H MET D 21 28.321 8.538 -1.728 1.00 0.00 H new ATOM 0 HA MET D 21 26.935 9.682 -3.956 1.00 0.00 H new ATOM 0 HB2 MET D 21 28.799 7.512 -3.339 1.00 0.00 H new ATOM 0 HB3 MET D 21 27.535 6.929 -4.403 1.00 0.00 H new ATOM 0 HG2 MET D 21 27.955 8.778 -5.995 1.00 0.00 H new ATOM 0 HG3 MET D 21 29.121 9.499 -4.903 1.00 0.00 H new ATOM 0 HE1 MET D 21 29.103 5.366 -6.574 1.00 0.00 H new ATOM 0 HE2 MET D 21 27.886 6.659 -6.702 1.00 0.00 H new ATOM 0 HE3 MET D 21 29.150 6.500 -7.945 1.00 0.00 H new ATOM 2010 N ALA D 22 25.627 6.939 -2.653 1.00 0.00 N0 ATOM 2011 CA ALA D 22 24.382 6.194 -2.518 1.00 0.00 C0 ATOM 2012 C ALA D 22 23.366 6.970 -1.684 1.00 0.00 C0 ATOM 2013 O ALA D 22 22.179 6.989 -2.007 1.00 0.00 O0 ATOM 2014 CB ALA D 22 24.645 4.840 -1.863 1.00 0.00 C0 ATOM 0 H ALA D 22 26.433 6.504 -2.203 1.00 0.00 H new ATOM 0 HA ALA D 22 23.973 6.044 -3.517 1.00 0.00 H new ATOM 0 HB1 ALA D 22 23.707 4.293 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA D 22 25.338 4.267 -2.478 1.00 0.00 H new ATOM 0 HB3 ALA D 22 25.078 4.992 -0.874 1.00 0.00 H new ATOM 2020 N TRP D 23 23.836 7.602 -0.609 1.00 0.00 N0 ATOM 2021 CA TRP D 23 22.954 8.366 0.262 1.00 0.00 C0 ATOM 2022 C TRP D 23 22.309 9.517 -0.501 1.00 0.00 C0 ATOM 2023 O TRP D 23 21.113 9.771 -0.360 1.00 0.00 O0 ATOM 2024 CB TRP D 23 23.745 8.916 1.448 1.00 0.00 C0 ATOM 2025 CG TRP D 23 22.810 9.503 2.448 1.00 0.00 C0 ATOM 2026 CD1 TRP D 23 22.307 8.848 3.516 1.00 0.00 C0 ATOM 2027 CD2 TRP D 23 22.247 10.847 2.486 1.00 0.00 C0 ATOM 2028 NE1 TRP D 23 21.476 9.706 4.214 1.00 0.00 N0 ATOM 2029 CE2 TRP D 23 21.406 10.949 3.618 1.00 0.00 C0 ATOM 2030 CE3 TRP D 23 22.386 11.976 1.658 1.00 0.00 C0 ATOM 2031 CZ2 TRP D 23 20.724 12.129 3.918 1.00 0.00 C0 ATOM 2032 CZ3 TRP D 23 21.701 13.166 1.958 1.00 0.00 C0 ATOM 2033 CH2 TRP D 23 20.873 13.241 3.085 1.00 0.00 C0 ATOM 0 H TRP D 23 24.816 7.599 -0.325 1.00 0.00 H new ATOM 0 HA TRP D 23 22.168 7.703 0.624 1.00 0.00 H new ATOM 0 HB2 TRP D 23 24.331 8.120 1.907 1.00 0.00 H new ATOM 0 HB3 TRP D 23 24.450 9.674 1.107 1.00 0.00 H new ATOM 0 HD1 TRP D 23 22.519 7.823 3.782 1.00 0.00 H new ATOM 0 HE1 TRP D 23 20.976 9.451 5.066 1.00 0.00 H new ATOM 0 HE3 TRP D 23 23.023 11.928 0.787 1.00 0.00 H new ATOM 0 HZ2 TRP D 23 20.086 12.182 4.788 1.00 0.00 H new ATOM 0 HZ3 TRP D 23 21.814 14.027 1.316 1.00 0.00 H new ATOM 0 HH2 TRP D 23 20.350 14.158 3.310 1.00 0.00 H new ATOM 2044 N THR D 24 23.102 10.203 -1.318 1.00 0.00 N0 ATOM 2045 CA THR D 24 22.584 11.315 -2.106 1.00 0.00 C0 ATOM 2046 C THR D 24 21.537 10.834 -3.108 1.00 0.00 C0 ATOM 2047 O THR D 24 20.487 11.462 -3.278 1.00 0.00 O0 ATOM 2048 CB THR D 24 23.729 12.012 -2.846 1.00 0.00 C0 ATOM 2049 OG1 THR D 24 24.537 12.714 -1.911 1.00 0.00 O0 ATOM 2050 CG2 THR D 24 23.169 12.988 -3.883 1.00 0.00 C0 ATOM 0 H THR D 24 24.095 10.011 -1.451 1.00 0.00 H new ATOM 0 HA THR D 24 22.110 12.022 -1.425 1.00 0.00 H new ATOM 0 HB THR D 24 24.332 11.263 -3.359 1.00 0.00 H new ATOM 0 HG1 THR D 24 25.180 12.096 -1.505 1.00 0.00 H new ATOM 0 HG21 THR D 24 23.992 13.478 -4.403 1.00 0.00 H new ATOM 0 HG22 THR D 24 22.558 12.443 -4.603 1.00 0.00 H new ATOM 0 HG23 THR D 24 22.558 13.739 -3.383 1.00 0.00 H new ATOM 2058 N ILE D 25 21.827 9.720 -3.769 1.00 0.00 N0 ATOM 2059 CA ILE D 25 20.902 9.172 -4.751 1.00 0.00 C0 ATOM 2060 C ILE D 25 19.578 8.808 -4.088 1.00 0.00 C0 ATOM 2061 O ILE D 25 18.509 9.124 -4.608 1.00 0.00 O0 ATOM 2062 CB ILE D 25 21.511 7.931 -5.397 1.00 0.00 C0 ATOM 2063 CG1 ILE D 25 22.721 8.339 -6.244 1.00 0.00 C0 ATOM 2064 CG2 ILE D 25 20.471 7.259 -6.297 1.00 0.00 C0 ATOM 2065 CD1 ILE D 25 23.538 7.097 -6.604 1.00 0.00 C0 ATOM 0 H ILE D 25 22.686 9.184 -3.645 1.00 0.00 H new ATOM 0 HA ILE D 25 20.717 9.926 -5.516 1.00 0.00 H new ATOM 0 HB ILE D 25 21.825 7.236 -4.618 1.00 0.00 H new ATOM 0 HG12 ILE D 25 22.389 8.844 -7.151 1.00 0.00 H new ATOM 0 HG13 ILE D 25 23.341 9.047 -5.694 1.00 0.00 H new ATOM 0 HG21 ILE D 25 20.907 6.373 -6.758 1.00 0.00 H new ATOM 0 HG22 ILE D 25 19.606 6.969 -5.700 1.00 0.00 H new ATOM 0 HG23 ILE D 25 20.158 7.956 -7.075 1.00 0.00 H new ATOM 0 HD11 ILE D 25 24.398 7.389 -7.206 1.00 0.00 H new ATOM 0 HD12 ILE D 25 23.883 6.611 -5.691 1.00 0.00 H new ATOM 0 HD13 ILE D 25 22.916 6.404 -7.171 1.00 0.00 H new ATOM 2077 N GLY D 26 19.658 8.141 -2.937 1.00 0.00 N0 ATOM 2078 CA GLY D 26 18.456 7.742 -2.216 1.00 0.00 C0 ATOM 2079 C GLY D 26 17.629 8.962 -1.836 1.00 0.00 C0 ATOM 2080 O GLY D 26 16.405 8.963 -1.979 1.00 0.00 O0 ATOM 0 H GLY D 26 20.534 7.869 -2.490 1.00 0.00 H new ATOM 0 HA2 GLY D 26 17.860 7.071 -2.835 1.00 0.00 H new ATOM 0 HA3 GLY D 26 18.731 7.188 -1.318 1.00 0.00 H new ATOM 2084 N HIS D 27 18.303 10.004 -1.358 1.00 0.00 N0 ATOM 2085 CA HIS D 27 17.620 11.230 -0.971 1.00 0.00 C0 ATOM 2086 C HIS D 27 16.802 11.770 -2.135 1.00 0.00 C0 ATOM 2087 O HIS D 27 15.660 12.198 -1.958 1.00 0.00 O0 ATOM 2088 CB HIS D 27 18.642 12.280 -0.528 1.00 0.00 C0 ATOM 2089 CG HIS D 27 18.232 13.630 -1.045 1.00 0.00 C0 ATOM 2090 ND1 HIS D 27 18.958 14.300 -2.018 1.00 0.00 N0 ATOM 2091 CD2 HIS D 27 17.175 14.449 -0.739 1.00 0.00 C0 ATOM 2092 CE1 HIS D 27 18.334 15.466 -2.262 1.00 0.00 C0 ATOM 2093 NE2 HIS D 27 17.240 15.608 -1.508 1.00 0.00 N0 ATOM 0 H HIS D 27 19.315 10.023 -1.231 1.00 0.00 H new ATOM 0 HA HIS D 27 16.949 11.008 -0.141 1.00 0.00 H new ATOM 0 HB2 HIS D 27 18.709 12.301 0.560 1.00 0.00 H new ATOM 0 HB3 HIS D 27 19.632 12.020 -0.904 1.00 0.00 H new ATOM 0 HD2 HIS D 27 16.408 14.228 -0.011 1.00 0.00 H new ATOM 0 HE1 HIS D 27 18.675 16.198 -2.979 1.00 0.00 H new ATOM 0 HE2 HIS D 27 16.592 16.396 -1.498 1.00 0.00 H new ATOM 2101 N LEU D 28 17.389 11.748 -3.326 1.00 0.00 N0 ATOM 2102 CA LEU D 28 16.697 12.242 -4.511 1.00 0.00 C0 ATOM 2103 C LEU D 28 15.821 11.148 -5.116 1.00 0.00 C0 ATOM 2104 O LEU D 28 16.222 9.986 -5.182 1.00 0.00 O0 ATOM 2105 CB LEU D 28 17.714 12.719 -5.550 1.00 0.00 C0 ATOM 2106 CG LEU D 28 16.983 13.301 -6.764 1.00 0.00 C0 ATOM 2107 CD1 LEU D 28 16.218 14.564 -6.352 1.00 0.00 C0 ATOM 2108 CD2 LEU D 28 18.001 13.650 -7.852 1.00 0.00 C0 ATOM 0 H LEU D 28 18.332 11.398 -3.496 1.00 0.00 H new ATOM 0 HA LEU D 28 16.062 13.077 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU D 28 18.368 13.473 -5.112 1.00 0.00 H new ATOM 0 HB3 LEU D 28 18.348 11.888 -5.860 1.00 0.00 H new ATOM 0 HG LEU D 28 16.278 12.564 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU D 28 15.700 14.974 -7.219 1.00 0.00 H new ATOM 0 HD12 LEU D 28 15.491 14.313 -5.580 1.00 0.00 H new ATOM 0 HD13 LEU D 28 16.919 15.304 -5.964 1.00 0.00 H new ATOM 0 HD21 LEU D 28 17.482 14.064 -8.716 1.00 0.00 H new ATOM 0 HD22 LEU D 28 18.708 14.385 -7.467 1.00 0.00 H new ATOM 0 HD23 LEU D 28 18.539 12.750 -8.149 1.00 0.00 H new