USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 972 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 SER OG : rot 180:sc= -0.135 USER MOD Set 1.2: A 105 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 52 CYS SG : rot 132:sc= -1.68! USER MOD Set 2.2: A 54 HIS : no HE2:sc= 0.301 K(o=-1.4,f=-12!) USER MOD Set 3.1: A 41 SER OG : rot 89:sc= 0.925 USER MOD Set 3.2: A 53 HIS : no HD1:sc= -1.21! K(o=-0.28!,f=-4.1) USER MOD Set 4.1: A 37 HIS : no HD1:sc= 0 X(o=-0.032,f=-0.1) USER MOD Set 4.2: A 39 THR OG1 : rot 80:sc= -0.0322 USER MOD Set 5.1: A 30 ASN : amide:sc= -0.0974 X(o=0.43,f=0.17) USER MOD Set 5.2: A 38 THR OG1 : rot 122:sc= 0.529 USER MOD Set 6.1: A 25 CYS SG : rot -92:sc= -0.157! USER MOD Set 6.2: A 131 TYR OH : rot -143:sc= 1.06 USER MOD Single : A 1 MET CE :methyl -137:sc= 0 (180deg=-1.02) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.581 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.352 K(o=0.35,f=-1.3) USER MOD Single : A 11 GLN : amide:sc= -0.901 X(o=-0.9,f=-0.59) USER MOD Single : A 21 ASN : amide:sc= -0.506 K(o=-0.51,f=-4.7!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0637 USER MOD Single : A 34 SER OG : rot -24:sc= 0.146 USER MOD Single : A 55 MET CE :methyl -156:sc= -0.309 (180deg=-1.22) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -32:sc= 0.0162 USER MOD Single : A 67 THR OG1 : rot 34:sc= -0.391 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.392 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00676 USER MOD Single : A 77 THR OG1 : rot -2:sc= 0.536 USER MOD Single : A 80 SER OG : rot 108:sc= 0.0107 USER MOD Single : A 83 MET CE :methyl -130:sc= -1.59 (180deg=-3.28!) USER MOD Single : A 92 GLN : amide:sc= -0.483 K(o=-0.48,f=-1.8) USER MOD Single : A 95 SER OG : rot 180:sc= -0.253 USER MOD Single : A 100 THR OG1 : rot 87:sc= 0.129 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0034 USER MOD Single : A 116 GLN : amide:sc= -0.0524 X(o=-0.052,f=-0.052) USER MOD Single : A 117 GLN : amide:sc= -3.08! C(o=-3.1!,f=-2.4!) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 122 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.59) USER MOD Single : A 127 ASN : amide:sc= -0.352 K(o=-0.35,f=-0.86) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.535 16.972 3.600 1.00 0.00 N ATOM 2 CA MET A 1 5.779 16.554 4.804 1.00 0.00 C ATOM 3 C MET A 1 5.424 15.068 4.688 1.00 0.00 C ATOM 4 O MET A 1 4.602 14.698 3.855 1.00 0.00 O ATOM 5 CB MET A 1 4.487 17.404 4.983 1.00 0.00 C ATOM 6 CG MET A 1 3.582 16.954 6.145 1.00 0.00 C ATOM 7 SD MET A 1 4.428 17.017 7.737 1.00 0.00 S ATOM 8 CE MET A 1 3.189 16.334 8.833 1.00 0.00 C ATOM 0 H1 MET A 1 7.512 17.209 3.868 1.00 0.00 H new ATOM 0 H2 MET A 1 6.544 16.195 2.909 1.00 0.00 H new ATOM 0 H3 MET A 1 6.080 17.806 3.177 1.00 0.00 H new ATOM 0 HA MET A 1 6.405 16.715 5.682 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.771 18.444 5.142 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.913 17.368 4.057 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.698 17.590 6.181 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.236 15.937 5.960 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.148 16.924 9.749 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.216 16.358 8.342 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.447 15.303 9.077 1.00 0.00 H new ATOM 20 N LYS A 2 6.040 14.230 5.529 1.00 0.00 N ATOM 21 CA LYS A 2 5.786 12.782 5.570 1.00 0.00 C ATOM 22 C LYS A 2 5.004 12.442 6.841 1.00 0.00 C ATOM 23 O LYS A 2 5.379 12.869 7.943 1.00 0.00 O ATOM 24 CB LYS A 2 7.111 11.973 5.523 1.00 0.00 C ATOM 25 CG LYS A 2 7.888 12.087 4.193 1.00 0.00 C ATOM 26 CD LYS A 2 9.191 11.253 4.210 1.00 0.00 C ATOM 27 CE LYS A 2 10.000 11.384 2.913 1.00 0.00 C ATOM 28 NZ LYS A 2 11.296 10.661 2.988 1.00 0.00 N ATOM 0 H LYS A 2 6.736 14.539 6.208 1.00 0.00 H new ATOM 0 HA LYS A 2 5.201 12.507 4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.756 12.309 6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.887 10.923 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.254 11.752 3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.129 13.133 4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.808 11.569 5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.943 10.204 4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.415 10.994 2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.185 12.438 2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.810 10.776 2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.866 11.050 3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.120 9.650 3.159 1.00 0.00 H new ATOM 42 N ILE A 3 3.905 11.707 6.665 1.00 0.00 N ATOM 43 CA ILE A 3 3.079 11.190 7.755 1.00 0.00 C ATOM 44 C ILE A 3 3.163 9.658 7.766 1.00 0.00 C ATOM 45 O ILE A 3 3.021 9.019 6.721 1.00 0.00 O ATOM 46 CB ILE A 3 1.581 11.653 7.615 1.00 0.00 C ATOM 47 CG1 ILE A 3 1.497 13.209 7.592 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.697 11.060 8.741 1.00 0.00 C ATOM 49 CD1 ILE A 3 0.102 13.771 7.451 1.00 0.00 C ATOM 0 H ILE A 3 3.558 11.450 5.741 1.00 0.00 H new ATOM 0 HA ILE A 3 3.457 11.589 8.696 1.00 0.00 H new ATOM 0 HB ILE A 3 1.195 11.273 6.669 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.937 13.595 8.512 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.106 13.579 6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.331 11.400 8.614 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.728 9.972 8.693 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.071 11.391 9.710 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.147 14.860 7.445 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.339 13.421 6.517 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.511 13.438 8.289 1.00 0.00 H new ATOM 61 N SER A 4 3.426 9.092 8.948 1.00 0.00 N ATOM 62 CA SER A 4 3.459 7.647 9.169 1.00 0.00 C ATOM 63 C SER A 4 2.184 7.217 9.919 1.00 0.00 C ATOM 64 O SER A 4 1.752 7.889 10.867 1.00 0.00 O ATOM 65 CB SER A 4 4.726 7.283 9.969 1.00 0.00 C ATOM 66 OG SER A 4 5.879 7.773 9.310 1.00 0.00 O ATOM 0 H SER A 4 3.624 9.634 9.789 1.00 0.00 H new ATOM 0 HA SER A 4 3.491 7.119 8.216 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.665 7.705 10.972 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.795 6.201 10.082 1.00 0.00 H new ATOM 0 HG SER A 4 6.677 7.537 9.828 1.00 0.00 H new ATOM 72 N ILE A 5 1.571 6.126 9.464 1.00 0.00 N ATOM 73 CA ILE A 5 0.440 5.471 10.148 1.00 0.00 C ATOM 74 C ILE A 5 0.817 4.005 10.425 1.00 0.00 C ATOM 75 O ILE A 5 1.529 3.389 9.629 1.00 0.00 O ATOM 76 CB ILE A 5 -0.887 5.556 9.301 1.00 0.00 C ATOM 77 CG1 ILE A 5 -0.656 5.012 7.855 1.00 0.00 C ATOM 78 CG2 ILE A 5 -1.441 7.002 9.269 1.00 0.00 C ATOM 79 CD1 ILE A 5 -1.877 4.998 6.957 1.00 0.00 C ATOM 0 H ILE A 5 1.844 5.660 8.599 1.00 0.00 H new ATOM 0 HA ILE A 5 0.246 5.991 11.086 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.634 4.927 9.785 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.116 5.616 7.378 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.268 3.996 7.926 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.356 7.028 8.677 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.656 7.332 10.285 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.701 7.665 8.822 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.605 4.602 5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.648 4.368 7.401 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.258 6.013 6.845 1.00 0.00 H new ATOM 91 N GLU A 6 0.340 3.451 11.547 1.00 0.00 N ATOM 92 CA GLU A 6 0.759 2.112 12.024 1.00 0.00 C ATOM 93 C GLU A 6 -0.428 1.134 12.067 1.00 0.00 C ATOM 94 O GLU A 6 -1.584 1.556 12.157 1.00 0.00 O ATOM 95 CB GLU A 6 1.402 2.227 13.428 1.00 0.00 C ATOM 96 CG GLU A 6 0.463 2.755 14.543 1.00 0.00 C ATOM 97 CD GLU A 6 1.007 2.538 15.962 1.00 0.00 C ATOM 98 OE1 GLU A 6 1.135 1.366 16.365 1.00 0.00 O ATOM 99 OE2 GLU A 6 1.280 3.521 16.686 1.00 0.00 O ATOM 0 H GLU A 6 -0.343 3.908 12.151 1.00 0.00 H new ATOM 0 HA GLU A 6 1.493 1.719 11.320 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.772 1.245 13.722 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.267 2.887 13.361 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.292 3.820 14.388 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.505 2.261 14.455 1.00 0.00 H new ATOM 106 N ALA A 7 -0.113 -0.177 12.008 1.00 0.00 N ATOM 107 CA ALA A 7 -1.094 -1.264 12.127 1.00 0.00 C ATOM 108 C ALA A 7 -0.365 -2.602 12.226 1.00 0.00 C ATOM 109 O ALA A 7 0.292 -3.006 11.260 1.00 0.00 O ATOM 110 CB ALA A 7 -2.054 -1.297 10.917 1.00 0.00 C ATOM 0 H ALA A 7 0.842 -0.509 11.875 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.683 -1.087 13.027 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.766 -2.114 11.039 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.593 -0.352 10.855 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.481 -1.449 10.002 1.00 0.00 H new ATOM 116 N HIS A 8 -0.482 -3.314 13.365 1.00 0.00 N ATOM 117 CA HIS A 8 0.133 -4.639 13.508 1.00 0.00 C ATOM 118 C HIS A 8 -0.909 -5.710 13.153 1.00 0.00 C ATOM 119 O HIS A 8 -1.974 -5.797 13.777 1.00 0.00 O ATOM 120 CB HIS A 8 0.787 -4.859 14.909 1.00 0.00 C ATOM 121 CG HIS A 8 -0.119 -5.045 16.105 1.00 0.00 C ATOM 122 ND1 HIS A 8 0.083 -6.038 17.039 1.00 0.00 N ATOM 123 CD2 HIS A 8 -1.175 -4.337 16.555 1.00 0.00 C ATOM 124 CE1 HIS A 8 -0.806 -5.931 17.998 1.00 0.00 C ATOM 125 NE2 HIS A 8 -1.584 -4.905 17.729 1.00 0.00 N ATOM 0 H HIS A 8 -0.992 -2.994 14.188 1.00 0.00 H new ATOM 0 HA HIS A 8 0.966 -4.718 12.810 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.431 -5.736 14.841 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.433 -4.005 15.112 1.00 0.00 H new ATOM 0 HD1 HIS A 8 0.813 -6.749 16.992 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.617 -3.477 16.075 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.885 -6.575 18.861 1.00 0.00 H new ATOM 134 N ILE A 9 -0.617 -6.452 12.081 1.00 0.00 N ATOM 135 CA ILE A 9 -1.460 -7.529 11.559 1.00 0.00 C ATOM 136 C ILE A 9 -1.027 -8.851 12.211 1.00 0.00 C ATOM 137 O ILE A 9 0.154 -9.207 12.136 1.00 0.00 O ATOM 138 CB ILE A 9 -1.308 -7.622 9.992 1.00 0.00 C ATOM 139 CG1 ILE A 9 -1.564 -6.228 9.332 1.00 0.00 C ATOM 140 CG2 ILE A 9 -2.243 -8.698 9.394 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.488 -6.219 7.820 1.00 0.00 C ATOM 0 H ILE A 9 0.236 -6.316 11.538 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.506 -7.328 11.792 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.284 -7.923 9.773 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.549 -5.874 9.635 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.836 -5.517 9.723 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.111 -8.734 8.313 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.999 -9.670 9.822 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.279 -8.449 9.625 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.679 -5.211 7.452 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.495 -6.539 7.504 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.235 -6.901 7.414 1.00 0.00 H new ATOM 153 N GLU A 10 -1.967 -9.556 12.872 1.00 0.00 N ATOM 154 CA GLU A 10 -1.689 -10.843 13.527 1.00 0.00 C ATOM 155 C GLU A 10 -1.656 -11.962 12.461 1.00 0.00 C ATOM 156 O GLU A 10 -2.594 -12.754 12.297 1.00 0.00 O ATOM 157 CB GLU A 10 -2.729 -11.104 14.650 1.00 0.00 C ATOM 158 CG GLU A 10 -2.470 -12.374 15.483 1.00 0.00 C ATOM 159 CD GLU A 10 -3.403 -12.510 16.696 1.00 0.00 C ATOM 160 OE1 GLU A 10 -3.165 -11.834 17.720 1.00 0.00 O ATOM 161 OE2 GLU A 10 -4.376 -13.287 16.634 1.00 0.00 O ATOM 0 H GLU A 10 -2.935 -9.248 12.965 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.711 -10.823 14.008 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.745 -10.244 15.319 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.719 -11.176 14.200 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.588 -13.249 14.844 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.436 -12.368 15.828 1.00 0.00 H new ATOM 168 N GLN A 11 -0.563 -11.953 11.700 1.00 0.00 N ATOM 169 CA GLN A 11 -0.357 -12.815 10.533 1.00 0.00 C ATOM 170 C GLN A 11 1.141 -12.814 10.184 1.00 0.00 C ATOM 171 O GLN A 11 1.874 -11.900 10.602 1.00 0.00 O ATOM 172 CB GLN A 11 -1.214 -12.281 9.337 1.00 0.00 C ATOM 173 CG GLN A 11 -1.342 -13.237 8.139 1.00 0.00 C ATOM 174 CD GLN A 11 -2.144 -14.509 8.425 1.00 0.00 C ATOM 175 OE1 GLN A 11 -3.051 -14.529 9.254 1.00 0.00 O ATOM 176 NE2 GLN A 11 -1.818 -15.589 7.738 1.00 0.00 N ATOM 0 H GLN A 11 0.225 -11.331 11.881 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.671 -13.837 10.747 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.214 -12.049 9.704 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.777 -11.345 8.988 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.813 -12.704 7.313 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.343 -13.519 7.807 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.062 -15.550 7.055 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.323 -16.462 7.891 1.00 0.00 H new ATOM 185 N GLU A 12 1.593 -13.838 9.431 1.00 0.00 N ATOM 186 CA GLU A 12 2.978 -13.919 8.935 1.00 0.00 C ATOM 187 C GLU A 12 3.294 -12.720 8.040 1.00 0.00 C ATOM 188 O GLU A 12 2.441 -12.310 7.245 1.00 0.00 O ATOM 189 CB GLU A 12 3.181 -15.220 8.120 1.00 0.00 C ATOM 190 CG GLU A 12 2.891 -16.517 8.887 1.00 0.00 C ATOM 191 CD GLU A 12 3.758 -16.697 10.147 1.00 0.00 C ATOM 192 OE1 GLU A 12 4.977 -16.910 10.008 1.00 0.00 O ATOM 193 OE2 GLU A 12 3.231 -16.624 11.273 1.00 0.00 O ATOM 0 H GLU A 12 1.010 -14.627 9.152 1.00 0.00 H new ATOM 0 HA GLU A 12 3.647 -13.918 9.796 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.538 -15.184 7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.210 -15.250 7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.840 -16.531 9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.051 -17.366 8.222 1.00 0.00 H new ATOM 200 N ILE A 13 4.522 -12.199 8.163 1.00 0.00 N ATOM 201 CA ILE A 13 5.022 -11.101 7.312 1.00 0.00 C ATOM 202 C ILE A 13 5.068 -11.540 5.831 1.00 0.00 C ATOM 203 O ILE A 13 4.992 -10.706 4.929 1.00 0.00 O ATOM 204 CB ILE A 13 6.429 -10.596 7.807 1.00 0.00 C ATOM 205 CG1 ILE A 13 6.882 -9.303 7.053 1.00 0.00 C ATOM 206 CG2 ILE A 13 7.501 -11.706 7.710 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.175 -8.694 7.565 1.00 0.00 C ATOM 0 H ILE A 13 5.199 -12.524 8.853 1.00 0.00 H new ATOM 0 HA ILE A 13 4.329 -10.263 7.392 1.00 0.00 H new ATOM 0 HB ILE A 13 6.319 -10.336 8.860 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.000 -9.537 5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.090 -8.558 7.128 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.458 -11.319 8.060 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.204 -12.554 8.328 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.598 -12.029 6.673 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.412 -7.802 6.985 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.059 -8.424 8.615 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.983 -9.418 7.464 1.00 0.00 H new ATOM 219 N GLU A 14 5.165 -12.869 5.618 1.00 0.00 N ATOM 220 CA GLU A 14 5.013 -13.503 4.302 1.00 0.00 C ATOM 221 C GLU A 14 3.634 -13.196 3.698 1.00 0.00 C ATOM 222 O GLU A 14 3.539 -12.741 2.569 1.00 0.00 O ATOM 223 CB GLU A 14 5.194 -15.040 4.436 1.00 0.00 C ATOM 224 CG GLU A 14 6.553 -15.476 5.008 1.00 0.00 C ATOM 225 CD GLU A 14 7.748 -15.116 4.108 1.00 0.00 C ATOM 226 OE1 GLU A 14 8.281 -13.995 4.228 1.00 0.00 O ATOM 227 OE2 GLU A 14 8.165 -15.956 3.281 1.00 0.00 O ATOM 0 H GLU A 14 5.353 -13.535 6.367 1.00 0.00 H new ATOM 0 HA GLU A 14 5.777 -13.099 3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.403 -15.432 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.065 -15.495 3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.692 -15.012 5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.541 -16.554 5.167 1.00 0.00 H new ATOM 234 N ALA A 15 2.582 -13.420 4.502 1.00 0.00 N ATOM 235 CA ALA A 15 1.179 -13.279 4.071 1.00 0.00 C ATOM 236 C ALA A 15 0.732 -11.809 4.000 1.00 0.00 C ATOM 237 O ALA A 15 -0.151 -11.467 3.211 1.00 0.00 O ATOM 238 CB ALA A 15 0.277 -14.058 5.018 1.00 0.00 C ATOM 0 H ALA A 15 2.680 -13.706 5.476 1.00 0.00 H new ATOM 0 HA ALA A 15 1.100 -13.684 3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.760 -13.954 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.557 -15.111 5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.387 -13.667 6.029 1.00 0.00 H new ATOM 244 N VAL A 16 1.332 -10.966 4.855 1.00 0.00 N ATOM 245 CA VAL A 16 1.117 -9.509 4.851 1.00 0.00 C ATOM 246 C VAL A 16 1.696 -8.906 3.549 1.00 0.00 C ATOM 247 O VAL A 16 1.014 -8.163 2.835 1.00 0.00 O ATOM 248 CB VAL A 16 1.776 -8.853 6.128 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.728 -7.316 6.083 1.00 0.00 C ATOM 250 CG2 VAL A 16 1.106 -9.380 7.421 1.00 0.00 C ATOM 0 H VAL A 16 1.985 -11.278 5.574 1.00 0.00 H new ATOM 0 HA VAL A 16 0.048 -9.299 4.886 1.00 0.00 H new ATOM 0 HB VAL A 16 2.827 -9.143 6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.193 -6.911 6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.267 -6.961 5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.691 -6.986 6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.575 -8.916 8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.044 -9.134 7.407 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.227 -10.462 7.479 1.00 0.00 H new ATOM 260 N TRP A 17 2.946 -9.292 3.240 1.00 0.00 N ATOM 261 CA TRP A 17 3.644 -8.902 1.995 1.00 0.00 C ATOM 262 C TRP A 17 2.908 -9.463 0.760 1.00 0.00 C ATOM 263 O TRP A 17 2.805 -8.793 -0.270 1.00 0.00 O ATOM 264 CB TRP A 17 5.104 -9.418 2.039 1.00 0.00 C ATOM 265 CG TRP A 17 5.947 -9.027 0.846 1.00 0.00 C ATOM 266 CD1 TRP A 17 6.102 -9.718 -0.319 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.755 -7.855 0.719 1.00 0.00 C ATOM 268 NE1 TRP A 17 6.940 -9.041 -1.161 1.00 0.00 N ATOM 269 CE2 TRP A 17 7.364 -7.900 -0.544 1.00 0.00 C ATOM 270 CE3 TRP A 17 7.020 -6.773 1.550 1.00 0.00 C ATOM 271 CZ2 TRP A 17 8.224 -6.908 -0.992 1.00 0.00 C ATOM 272 CZ3 TRP A 17 7.876 -5.793 1.108 1.00 0.00 C ATOM 273 CH2 TRP A 17 8.472 -5.867 -0.154 1.00 0.00 C ATOM 0 H TRP A 17 3.507 -9.887 3.849 1.00 0.00 H new ATOM 0 HA TRP A 17 3.651 -7.815 1.916 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.581 -9.041 2.944 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.089 -10.505 2.116 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.631 -10.663 -0.544 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.205 -9.341 -2.099 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.562 -6.704 2.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.679 -6.961 -1.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.092 -4.950 1.748 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.143 -5.082 -0.470 1.00 0.00 H new ATOM 284 N TRP A 18 2.409 -10.703 0.901 1.00 0.00 N ATOM 285 CA TRP A 18 1.634 -11.405 -0.139 1.00 0.00 C ATOM 286 C TRP A 18 0.380 -10.600 -0.490 1.00 0.00 C ATOM 287 O TRP A 18 0.090 -10.349 -1.654 1.00 0.00 O ATOM 288 CB TRP A 18 1.273 -12.831 0.365 1.00 0.00 C ATOM 289 CG TRP A 18 0.409 -13.655 -0.565 1.00 0.00 C ATOM 290 CD1 TRP A 18 0.826 -14.472 -1.584 1.00 0.00 C ATOM 291 CD2 TRP A 18 -1.023 -13.751 -0.541 1.00 0.00 C ATOM 292 NE1 TRP A 18 -0.258 -15.043 -2.199 1.00 0.00 N ATOM 293 CE2 TRP A 18 -1.403 -14.621 -1.575 1.00 0.00 C ATOM 294 CE3 TRP A 18 -2.017 -13.172 0.255 1.00 0.00 C ATOM 295 CZ2 TRP A 18 -2.734 -14.933 -1.831 1.00 0.00 C ATOM 296 CZ3 TRP A 18 -3.335 -13.479 -0.001 1.00 0.00 C ATOM 297 CH2 TRP A 18 -3.685 -14.356 -1.033 1.00 0.00 C ATOM 0 H TRP A 18 2.534 -11.254 1.751 1.00 0.00 H new ATOM 0 HA TRP A 18 2.230 -11.501 -1.046 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.198 -13.376 0.550 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.760 -12.739 1.322 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.856 -14.641 -1.861 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.219 -15.680 -2.994 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.756 -12.496 1.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.007 -15.606 -2.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.111 -13.035 0.605 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.727 -14.583 -1.204 1.00 0.00 H new ATOM 308 N ALA A 19 -0.336 -10.178 0.547 1.00 0.00 N ATOM 309 CA ALA A 19 -1.548 -9.376 0.402 1.00 0.00 C ATOM 310 C ALA A 19 -1.244 -7.996 -0.218 1.00 0.00 C ATOM 311 O ALA A 19 -2.031 -7.485 -1.013 1.00 0.00 O ATOM 312 CB ALA A 19 -2.221 -9.242 1.764 1.00 0.00 C ATOM 0 H ALA A 19 -0.092 -10.383 1.516 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.229 -9.879 -0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.127 -8.644 1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.478 -10.232 2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.539 -8.754 2.460 1.00 0.00 H new ATOM 318 N TRP A 20 -0.072 -7.430 0.127 1.00 0.00 N ATOM 319 CA TRP A 20 0.325 -6.079 -0.303 1.00 0.00 C ATOM 320 C TRP A 20 0.771 -6.037 -1.785 1.00 0.00 C ATOM 321 O TRP A 20 0.522 -5.045 -2.480 1.00 0.00 O ATOM 322 CB TRP A 20 1.454 -5.529 0.624 1.00 0.00 C ATOM 323 CG TRP A 20 1.791 -4.067 0.367 1.00 0.00 C ATOM 324 CD1 TRP A 20 2.760 -3.574 -0.461 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.134 -2.915 0.928 1.00 0.00 C ATOM 326 NE1 TRP A 20 2.726 -2.203 -0.469 1.00 0.00 N ATOM 327 CE2 TRP A 20 1.741 -1.778 0.379 1.00 0.00 C ATOM 328 CE3 TRP A 20 0.090 -2.738 1.833 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.334 -0.486 0.705 1.00 0.00 C ATOM 330 CZ3 TRP A 20 -0.312 -1.460 2.164 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.309 -0.346 1.598 1.00 0.00 C ATOM 0 H TRP A 20 0.623 -7.896 0.710 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.555 -5.441 -0.218 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.149 -5.646 1.664 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.352 -6.131 0.486 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.453 -4.178 -1.028 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.337 -1.598 -1.018 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.401 -3.594 2.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 1.813 0.377 0.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -1.117 -1.320 2.870 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -0.026 0.644 1.870 1.00 0.00 H new ATOM 342 N ASN A 21 1.448 -7.101 -2.253 1.00 0.00 N ATOM 343 CA ASN A 21 2.157 -7.098 -3.561 1.00 0.00 C ATOM 344 C ASN A 21 1.452 -7.930 -4.646 1.00 0.00 C ATOM 345 O ASN A 21 1.548 -7.581 -5.835 1.00 0.00 O ATOM 346 CB ASN A 21 3.626 -7.567 -3.368 1.00 0.00 C ATOM 347 CG ASN A 21 4.484 -6.513 -2.651 1.00 0.00 C ATOM 348 OD1 ASN A 21 5.110 -5.674 -3.288 1.00 0.00 O ATOM 349 ND2 ASN A 21 4.487 -6.528 -1.327 1.00 0.00 N ATOM 0 H ASN A 21 1.523 -7.983 -1.746 1.00 0.00 H new ATOM 0 HA ASN A 21 2.144 -6.070 -3.924 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.637 -8.493 -2.794 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.065 -7.790 -4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.020 -5.829 -0.810 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.956 -7.239 -0.824 1.00 0.00 H new ATOM 356 N ASP A 22 0.754 -9.015 -4.263 1.00 0.00 N ATOM 357 CA ASP A 22 0.066 -9.899 -5.240 1.00 0.00 C ATOM 358 C ASP A 22 -1.171 -9.184 -5.830 1.00 0.00 C ATOM 359 O ASP A 22 -2.055 -8.794 -5.074 1.00 0.00 O ATOM 360 CB ASP A 22 -0.351 -11.253 -4.604 1.00 0.00 C ATOM 361 CG ASP A 22 0.841 -12.177 -4.320 1.00 0.00 C ATOM 362 OD1 ASP A 22 1.745 -11.782 -3.555 1.00 0.00 O ATOM 363 OD2 ASP A 22 0.907 -13.285 -4.895 1.00 0.00 O ATOM 0 H ASP A 22 0.648 -9.305 -3.291 1.00 0.00 H new ATOM 0 HA ASP A 22 0.774 -10.116 -6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.884 -11.061 -3.673 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.047 -11.762 -5.271 1.00 0.00 H new ATOM 368 N PRO A 23 -1.253 -9.037 -7.194 1.00 0.00 N ATOM 369 CA PRO A 23 -2.310 -8.229 -7.881 1.00 0.00 C ATOM 370 C PRO A 23 -3.752 -8.703 -7.588 1.00 0.00 C ATOM 371 O PRO A 23 -4.679 -7.889 -7.511 1.00 0.00 O ATOM 372 CB PRO A 23 -1.963 -8.408 -9.384 1.00 0.00 C ATOM 373 CG PRO A 23 -1.142 -9.662 -9.444 1.00 0.00 C ATOM 374 CD PRO A 23 -0.322 -9.645 -8.183 1.00 0.00 C ATOM 0 HA PRO A 23 -2.306 -7.195 -7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.865 -8.497 -9.990 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.406 -7.552 -9.765 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.776 -10.548 -9.492 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.506 -9.677 -10.329 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.015 -10.648 -7.886 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.587 -9.055 -8.299 1.00 0.00 H new ATOM 382 N ASP A 24 -3.885 -10.026 -7.439 1.00 0.00 N ATOM 383 CA ASP A 24 -5.152 -10.720 -7.138 1.00 0.00 C ATOM 384 C ASP A 24 -5.695 -10.282 -5.772 1.00 0.00 C ATOM 385 O ASP A 24 -6.900 -10.081 -5.602 1.00 0.00 O ATOM 386 CB ASP A 24 -4.911 -12.253 -7.135 1.00 0.00 C ATOM 387 CG ASP A 24 -4.354 -12.784 -8.468 1.00 0.00 C ATOM 388 OD1 ASP A 24 -3.184 -12.475 -8.800 1.00 0.00 O ATOM 389 OD2 ASP A 24 -5.076 -13.499 -9.194 1.00 0.00 O ATOM 0 H ASP A 24 -3.095 -10.665 -7.526 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.885 -10.462 -7.903 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.216 -12.503 -6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.850 -12.761 -6.913 1.00 0.00 H new ATOM 394 N CYS A 25 -4.764 -10.143 -4.811 1.00 0.00 N ATOM 395 CA CYS A 25 -5.054 -9.696 -3.447 1.00 0.00 C ATOM 396 C CYS A 25 -5.453 -8.213 -3.432 1.00 0.00 C ATOM 397 O CYS A 25 -6.441 -7.834 -2.803 1.00 0.00 O ATOM 398 CB CYS A 25 -3.806 -9.921 -2.570 1.00 0.00 C ATOM 399 SG CYS A 25 -3.135 -11.586 -2.700 1.00 0.00 S ATOM 0 H CYS A 25 -3.776 -10.342 -4.968 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.891 -10.272 -3.052 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.036 -9.203 -2.855 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.061 -9.720 -1.529 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.664 -12.340 -1.783 1.00 0.00 H new ATOM 405 N ILE A 26 -4.672 -7.405 -4.173 1.00 0.00 N ATOM 406 CA ILE A 26 -4.840 -5.937 -4.266 1.00 0.00 C ATOM 407 C ILE A 26 -6.185 -5.569 -4.917 1.00 0.00 C ATOM 408 O ILE A 26 -6.780 -4.540 -4.585 1.00 0.00 O ATOM 409 CB ILE A 26 -3.644 -5.295 -5.067 1.00 0.00 C ATOM 410 CG1 ILE A 26 -2.281 -5.678 -4.408 1.00 0.00 C ATOM 411 CG2 ILE A 26 -3.786 -3.753 -5.177 1.00 0.00 C ATOM 412 CD1 ILE A 26 -1.066 -5.341 -5.248 1.00 0.00 C ATOM 0 H ILE A 26 -3.895 -7.755 -4.733 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.838 -5.534 -3.253 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.671 -5.697 -6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.198 -5.167 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.279 -6.748 -4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.942 -3.349 -5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.714 -3.509 -5.694 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.802 -3.317 -4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.162 -5.640 -4.717 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.121 -5.873 -6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.039 -4.267 -5.435 1.00 0.00 H new ATOM 424 N ALA A 27 -6.674 -6.447 -5.818 1.00 0.00 N ATOM 425 CA ALA A 27 -7.980 -6.283 -6.488 1.00 0.00 C ATOM 426 C ALA A 27 -9.153 -6.402 -5.490 1.00 0.00 C ATOM 427 O ALA A 27 -10.259 -5.929 -5.756 1.00 0.00 O ATOM 428 CB ALA A 27 -8.111 -7.315 -7.620 1.00 0.00 C ATOM 0 H ALA A 27 -6.174 -7.290 -6.101 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.026 -5.280 -6.912 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.075 -7.193 -8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.311 -7.164 -8.344 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.040 -8.321 -7.206 1.00 0.00 H new ATOM 434 N ARG A 28 -8.883 -7.038 -4.338 1.00 0.00 N ATOM 435 CA ARG A 28 -9.875 -7.264 -3.275 1.00 0.00 C ATOM 436 C ARG A 28 -9.924 -6.059 -2.299 1.00 0.00 C ATOM 437 O ARG A 28 -11.010 -5.582 -1.965 1.00 0.00 O ATOM 438 CB ARG A 28 -9.530 -8.586 -2.540 1.00 0.00 C ATOM 439 CG ARG A 28 -9.434 -9.805 -3.489 1.00 0.00 C ATOM 440 CD ARG A 28 -8.973 -11.103 -2.809 1.00 0.00 C ATOM 441 NE ARG A 28 -8.834 -12.205 -3.785 1.00 0.00 N ATOM 442 CZ ARG A 28 -7.825 -13.094 -3.827 1.00 0.00 C ATOM 443 NH1 ARG A 28 -6.826 -13.053 -2.952 1.00 0.00 N ATOM 444 NH2 ARG A 28 -7.818 -14.026 -4.768 1.00 0.00 N ATOM 0 H ARG A 28 -7.961 -7.413 -4.117 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.869 -7.354 -3.712 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.582 -8.466 -2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.289 -8.782 -1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.410 -9.974 -3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.743 -9.567 -4.298 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.019 -10.935 -2.310 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.690 -11.386 -2.038 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.567 -12.299 -4.488 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.812 -12.336 -2.227 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.073 -13.739 -3.005 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.573 -14.065 -5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.057 -14.704 -4.808 1.00 0.00 H new ATOM 458 N TRP A 29 -8.743 -5.579 -1.835 1.00 0.00 N ATOM 459 CA TRP A 29 -8.638 -4.335 -1.004 1.00 0.00 C ATOM 460 C TRP A 29 -8.299 -3.132 -1.926 1.00 0.00 C ATOM 461 O TRP A 29 -8.675 -3.154 -3.099 1.00 0.00 O ATOM 462 CB TRP A 29 -7.613 -4.514 0.175 1.00 0.00 C ATOM 463 CG TRP A 29 -6.168 -4.768 -0.227 1.00 0.00 C ATOM 464 CD1 TRP A 29 -5.644 -5.954 -0.625 1.00 0.00 C ATOM 465 CD2 TRP A 29 -5.063 -3.835 -0.232 1.00 0.00 C ATOM 466 NE1 TRP A 29 -4.321 -5.816 -0.930 1.00 0.00 N ATOM 467 CE2 TRP A 29 -3.937 -4.534 -0.691 1.00 0.00 C ATOM 468 CE3 TRP A 29 -4.917 -2.479 0.088 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -2.693 -3.937 -0.844 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -3.676 -1.884 -0.062 1.00 0.00 C ATOM 471 CH2 TRP A 29 -2.580 -2.615 -0.527 1.00 0.00 C ATOM 0 H TRP A 29 -7.846 -6.029 -2.018 1.00 0.00 H new ATOM 0 HA TRP A 29 -9.597 -4.133 -0.527 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.644 -3.618 0.796 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.947 -5.344 0.797 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.197 -6.879 -0.691 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.716 -6.558 -1.282 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.760 -1.906 0.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.844 -4.500 -1.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -3.553 -0.840 0.184 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.625 -2.124 -0.638 1.00 0.00 H new ATOM 482 N ASN A 30 -7.713 -2.046 -1.354 1.00 0.00 N ATOM 483 CA ASN A 30 -7.061 -0.920 -2.105 1.00 0.00 C ATOM 484 C ASN A 30 -8.070 0.140 -2.596 1.00 0.00 C ATOM 485 O ASN A 30 -7.707 1.307 -2.782 1.00 0.00 O ATOM 486 CB ASN A 30 -6.155 -1.453 -3.261 1.00 0.00 C ATOM 487 CG ASN A 30 -5.427 -0.368 -4.062 1.00 0.00 C ATOM 488 OD1 ASN A 30 -4.323 0.048 -3.709 1.00 0.00 O ATOM 489 ND2 ASN A 30 -6.034 0.084 -5.154 1.00 0.00 N ATOM 0 H ASN A 30 -7.676 -1.919 -0.343 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.414 -0.406 -1.394 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.414 -2.132 -2.839 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.770 -2.038 -3.945 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.585 0.797 -5.729 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.949 -0.282 -5.418 1.00 0.00 H new ATOM 496 N ALA A 31 -9.330 -0.280 -2.810 1.00 0.00 N ATOM 497 CA ALA A 31 -10.431 0.628 -3.146 1.00 0.00 C ATOM 498 C ALA A 31 -10.605 1.673 -2.028 1.00 0.00 C ATOM 499 O ALA A 31 -10.960 1.316 -0.896 1.00 0.00 O ATOM 500 CB ALA A 31 -11.718 -0.166 -3.354 1.00 0.00 C ATOM 0 H ALA A 31 -9.609 -1.259 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.199 1.150 -4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.530 0.517 -3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.579 -0.877 -4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.965 -0.705 -2.439 1.00 0.00 H new ATOM 506 N ALA A 32 -10.303 2.940 -2.356 1.00 0.00 N ATOM 507 CA ALA A 32 -10.326 4.067 -1.402 1.00 0.00 C ATOM 508 C ALA A 32 -11.733 4.320 -0.826 1.00 0.00 C ATOM 509 O ALA A 32 -11.870 4.818 0.295 1.00 0.00 O ATOM 510 CB ALA A 32 -9.775 5.332 -2.087 1.00 0.00 C ATOM 0 H ALA A 32 -10.033 3.216 -3.300 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.690 3.805 -0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.792 6.164 -1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.750 5.153 -2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.392 5.576 -2.952 1.00 0.00 H new ATOM 516 N SER A 33 -12.762 3.955 -1.604 1.00 0.00 N ATOM 517 CA SER A 33 -14.181 4.110 -1.224 1.00 0.00 C ATOM 518 C SER A 33 -14.997 2.885 -1.678 1.00 0.00 C ATOM 519 O SER A 33 -14.513 2.072 -2.471 1.00 0.00 O ATOM 520 CB SER A 33 -14.734 5.405 -1.863 1.00 0.00 C ATOM 521 OG SER A 33 -16.110 5.603 -1.574 1.00 0.00 O ATOM 0 H SER A 33 -12.635 3.539 -2.526 1.00 0.00 H new ATOM 0 HA SER A 33 -14.263 4.181 -0.139 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.162 6.259 -1.501 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.594 5.363 -2.943 1.00 0.00 H new ATOM 0 HG SER A 33 -16.417 6.433 -1.996 1.00 0.00 H new ATOM 527 N SER A 34 -16.243 2.773 -1.170 1.00 0.00 N ATOM 528 CA SER A 34 -17.186 1.697 -1.549 1.00 0.00 C ATOM 529 C SER A 34 -17.850 1.994 -2.912 1.00 0.00 C ATOM 530 O SER A 34 -18.437 1.098 -3.537 1.00 0.00 O ATOM 531 CB SER A 34 -18.252 1.518 -0.447 1.00 0.00 C ATOM 532 OG SER A 34 -19.108 0.420 -0.722 1.00 0.00 O ATOM 0 H SER A 34 -16.624 3.426 -0.485 1.00 0.00 H new ATOM 0 HA SER A 34 -16.627 0.767 -1.651 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.761 1.365 0.514 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.844 2.429 -0.361 1.00 0.00 H new ATOM 0 HG SER A 34 -19.119 0.247 -1.687 1.00 0.00 H new ATOM 538 N ASP A 35 -17.751 3.262 -3.359 1.00 0.00 N ATOM 539 CA ASP A 35 -18.154 3.682 -4.723 1.00 0.00 C ATOM 540 C ASP A 35 -17.078 3.283 -5.748 1.00 0.00 C ATOM 541 O ASP A 35 -17.292 3.378 -6.953 1.00 0.00 O ATOM 542 CB ASP A 35 -18.373 5.217 -4.789 1.00 0.00 C ATOM 543 CG ASP A 35 -19.450 5.723 -3.817 1.00 0.00 C ATOM 544 OD1 ASP A 35 -20.658 5.600 -4.127 1.00 0.00 O ATOM 545 OD2 ASP A 35 -19.093 6.245 -2.739 1.00 0.00 O ATOM 0 H ASP A 35 -17.390 4.026 -2.788 1.00 0.00 H new ATOM 0 HA ASP A 35 -19.091 3.178 -4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -17.431 5.720 -4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.653 5.493 -5.806 1.00 0.00 H new ATOM 550 N TRP A 36 -15.918 2.840 -5.240 1.00 0.00 N ATOM 551 CA TRP A 36 -14.725 2.531 -6.038 1.00 0.00 C ATOM 552 C TRP A 36 -14.315 1.079 -5.790 1.00 0.00 C ATOM 553 O TRP A 36 -14.689 0.487 -4.775 1.00 0.00 O ATOM 554 CB TRP A 36 -13.569 3.497 -5.659 1.00 0.00 C ATOM 555 CG TRP A 36 -13.843 4.935 -6.051 1.00 0.00 C ATOM 556 CD1 TRP A 36 -14.699 5.813 -5.446 1.00 0.00 C ATOM 557 CD2 TRP A 36 -13.270 5.646 -7.147 1.00 0.00 C ATOM 558 NE1 TRP A 36 -14.701 7.005 -6.107 1.00 0.00 N ATOM 559 CE2 TRP A 36 -13.823 6.937 -7.149 1.00 0.00 C ATOM 560 CE3 TRP A 36 -12.340 5.315 -8.124 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -13.478 7.899 -8.090 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -11.999 6.265 -9.054 1.00 0.00 C ATOM 563 CH2 TRP A 36 -12.563 7.546 -9.036 1.00 0.00 C ATOM 0 H TRP A 36 -15.782 2.684 -4.241 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.948 2.662 -7.097 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -13.399 3.446 -4.584 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -12.651 3.163 -6.143 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -15.290 5.593 -4.569 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -15.268 7.817 -5.862 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -11.895 4.331 -8.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -13.917 8.886 -8.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -11.278 6.018 -9.819 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -12.268 8.267 -9.784 1.00 0.00 H new ATOM 574 N HIS A 37 -13.549 0.511 -6.723 1.00 0.00 N ATOM 575 CA HIS A 37 -13.062 -0.878 -6.634 1.00 0.00 C ATOM 576 C HIS A 37 -11.812 -1.021 -7.492 1.00 0.00 C ATOM 577 O HIS A 37 -11.758 -0.451 -8.588 1.00 0.00 O ATOM 578 CB HIS A 37 -14.149 -1.889 -7.087 1.00 0.00 C ATOM 579 CG HIS A 37 -14.704 -1.612 -8.463 1.00 0.00 C ATOM 580 ND1 HIS A 37 -14.124 -2.081 -9.623 1.00 0.00 N ATOM 581 CD2 HIS A 37 -15.793 -0.908 -8.855 1.00 0.00 C ATOM 582 CE1 HIS A 37 -14.825 -1.675 -10.657 1.00 0.00 C ATOM 583 NE2 HIS A 37 -15.841 -0.963 -10.223 1.00 0.00 N ATOM 0 H HIS A 37 -13.245 0.998 -7.566 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.824 -1.101 -5.594 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -13.726 -2.894 -7.072 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.967 -1.876 -6.366 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -16.493 -0.398 -8.209 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -14.603 -1.890 -11.692 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -16.550 -0.523 -10.809 1.00 0.00 H new ATOM 592 N THR A 38 -10.815 -1.766 -6.997 1.00 0.00 N ATOM 593 CA THR A 38 -9.579 -2.019 -7.737 1.00 0.00 C ATOM 594 C THR A 38 -9.876 -2.948 -8.933 1.00 0.00 C ATOM 595 O THR A 38 -10.111 -4.152 -8.762 1.00 0.00 O ATOM 596 CB THR A 38 -8.482 -2.614 -6.806 1.00 0.00 C ATOM 597 OG1 THR A 38 -8.391 -1.814 -5.623 1.00 0.00 O ATOM 598 CG2 THR A 38 -7.090 -2.677 -7.480 1.00 0.00 C ATOM 0 H THR A 38 -10.845 -2.206 -6.078 1.00 0.00 H new ATOM 0 HA THR A 38 -9.191 -1.075 -8.120 1.00 0.00 H new ATOM 0 HB THR A 38 -8.776 -3.637 -6.571 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.553 -2.375 -4.836 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.367 -3.100 -6.783 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.145 -3.303 -8.371 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.776 -1.672 -7.762 1.00 0.00 H new ATOM 606 N THR A 39 -9.901 -2.348 -10.128 1.00 0.00 N ATOM 607 CA THR A 39 -10.269 -3.019 -11.384 1.00 0.00 C ATOM 608 C THR A 39 -9.055 -3.760 -11.980 1.00 0.00 C ATOM 609 O THR A 39 -9.203 -4.726 -12.742 1.00 0.00 O ATOM 610 CB THR A 39 -10.802 -1.944 -12.390 1.00 0.00 C ATOM 611 OG1 THR A 39 -11.827 -1.162 -11.752 1.00 0.00 O ATOM 612 CG2 THR A 39 -11.369 -2.562 -13.686 1.00 0.00 C ATOM 0 H THR A 39 -9.662 -1.364 -10.254 1.00 0.00 H new ATOM 0 HA THR A 39 -11.046 -3.758 -11.189 1.00 0.00 H new ATOM 0 HB THR A 39 -9.954 -1.321 -12.673 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.412 -0.484 -11.179 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.723 -1.768 -14.343 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.587 -3.130 -14.191 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.198 -3.226 -13.440 1.00 0.00 H new ATOM 620 N GLY A 40 -7.855 -3.301 -11.607 1.00 0.00 N ATOM 621 CA GLY A 40 -6.607 -3.920 -12.038 1.00 0.00 C ATOM 622 C GLY A 40 -5.453 -3.547 -11.128 1.00 0.00 C ATOM 623 O GLY A 40 -5.552 -2.591 -10.353 1.00 0.00 O ATOM 0 H GLY A 40 -7.727 -2.492 -10.999 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.724 -5.004 -12.052 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.381 -3.611 -13.058 1.00 0.00 H new ATOM 627 N SER A 41 -4.354 -4.301 -11.225 1.00 0.00 N ATOM 628 CA SER A 41 -3.123 -4.027 -10.486 1.00 0.00 C ATOM 629 C SER A 41 -1.950 -4.712 -11.192 1.00 0.00 C ATOM 630 O SER A 41 -1.869 -5.937 -11.222 1.00 0.00 O ATOM 631 CB SER A 41 -3.236 -4.493 -9.011 1.00 0.00 C ATOM 632 OG SER A 41 -2.053 -4.191 -8.278 1.00 0.00 O ATOM 0 H SER A 41 -4.296 -5.125 -11.824 1.00 0.00 H new ATOM 0 HA SER A 41 -2.952 -2.951 -10.468 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.091 -4.009 -8.540 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.421 -5.567 -8.980 1.00 0.00 H new ATOM 0 HG SER A 41 -2.126 -3.292 -7.896 1.00 0.00 H new ATOM 638 N ARG A 42 -1.075 -3.920 -11.810 1.00 0.00 N ATOM 639 CA ARG A 42 0.172 -4.412 -12.409 1.00 0.00 C ATOM 640 C ARG A 42 1.289 -4.164 -11.389 1.00 0.00 C ATOM 641 O ARG A 42 1.372 -3.062 -10.856 1.00 0.00 O ATOM 642 CB ARG A 42 0.479 -3.653 -13.723 1.00 0.00 C ATOM 643 CG ARG A 42 -0.671 -3.626 -14.754 1.00 0.00 C ATOM 644 CD ARG A 42 -0.340 -2.725 -15.956 1.00 0.00 C ATOM 645 NE ARG A 42 -1.470 -2.574 -16.885 1.00 0.00 N ATOM 646 CZ ARG A 42 -1.487 -1.740 -17.940 1.00 0.00 C ATOM 647 NH1 ARG A 42 -0.440 -0.971 -18.233 1.00 0.00 N ATOM 648 NH2 ARG A 42 -2.564 -1.695 -18.708 1.00 0.00 N ATOM 0 H ARG A 42 -1.209 -2.914 -11.912 1.00 0.00 H new ATOM 0 HA ARG A 42 0.089 -5.472 -12.650 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.747 -2.626 -13.476 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.353 -4.107 -14.190 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.870 -4.639 -15.103 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.582 -3.270 -14.273 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.039 -1.742 -15.595 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.512 -3.142 -16.493 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.300 -3.142 -16.717 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.398 -1.007 -17.652 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.476 -0.346 -19.038 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.367 -2.288 -18.496 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.591 -1.067 -19.512 1.00 0.00 H new ATOM 662 N VAL A 43 2.108 -5.181 -11.076 1.00 0.00 N ATOM 663 CA VAL A 43 3.207 -5.065 -10.084 1.00 0.00 C ATOM 664 C VAL A 43 4.459 -5.791 -10.613 1.00 0.00 C ATOM 665 O VAL A 43 4.419 -7.000 -10.856 1.00 0.00 O ATOM 666 CB VAL A 43 2.804 -5.661 -8.666 1.00 0.00 C ATOM 667 CG1 VAL A 43 3.966 -5.540 -7.644 1.00 0.00 C ATOM 668 CG2 VAL A 43 1.518 -5.005 -8.106 1.00 0.00 C ATOM 0 H VAL A 43 2.034 -6.107 -11.498 1.00 0.00 H new ATOM 0 HA VAL A 43 3.415 -4.004 -9.947 1.00 0.00 H new ATOM 0 HB VAL A 43 2.597 -6.720 -8.821 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.654 -5.958 -6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.833 -6.087 -8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.228 -4.490 -7.514 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.279 -5.442 -7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.677 -3.933 -7.992 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.691 -5.178 -8.795 1.00 0.00 H new ATOM 678 N ASP A 44 5.554 -5.035 -10.802 1.00 0.00 N ATOM 679 CA ASP A 44 6.879 -5.577 -11.168 1.00 0.00 C ATOM 680 C ASP A 44 7.825 -5.313 -10.000 1.00 0.00 C ATOM 681 O ASP A 44 8.545 -4.310 -9.986 1.00 0.00 O ATOM 682 CB ASP A 44 7.411 -4.939 -12.485 1.00 0.00 C ATOM 683 CG ASP A 44 6.611 -5.376 -13.718 1.00 0.00 C ATOM 684 OD1 ASP A 44 5.490 -4.872 -13.916 1.00 0.00 O ATOM 685 OD2 ASP A 44 7.086 -6.237 -14.494 1.00 0.00 O ATOM 0 H ASP A 44 5.547 -4.020 -10.705 1.00 0.00 H new ATOM 0 HA ASP A 44 6.806 -6.648 -11.357 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.374 -3.853 -12.399 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.457 -5.213 -12.620 1.00 0.00 H new ATOM 690 N LEU A 45 7.747 -6.195 -8.988 1.00 0.00 N ATOM 691 CA LEU A 45 8.481 -6.068 -7.720 1.00 0.00 C ATOM 692 C LEU A 45 10.004 -6.269 -7.914 1.00 0.00 C ATOM 693 O LEU A 45 10.541 -7.350 -7.663 1.00 0.00 O ATOM 694 CB LEU A 45 7.932 -7.084 -6.677 1.00 0.00 C ATOM 695 CG LEU A 45 8.548 -6.980 -5.242 1.00 0.00 C ATOM 696 CD1 LEU A 45 8.098 -5.695 -4.541 1.00 0.00 C ATOM 697 CD2 LEU A 45 8.251 -8.233 -4.396 1.00 0.00 C ATOM 0 H LEU A 45 7.162 -7.029 -9.031 1.00 0.00 H new ATOM 0 HA LEU A 45 8.327 -5.054 -7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.853 -6.951 -6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.103 -8.092 -7.054 1.00 0.00 H new ATOM 0 HG LEU A 45 9.631 -6.930 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.541 -5.649 -3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.421 -4.831 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.011 -5.689 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.697 -8.119 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.173 -8.357 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.673 -9.111 -4.885 1.00 0.00 H new ATOM 709 N VAL A 46 10.676 -5.237 -8.427 1.00 0.00 N ATOM 710 CA VAL A 46 12.149 -5.165 -8.547 1.00 0.00 C ATOM 711 C VAL A 46 12.583 -3.709 -8.333 1.00 0.00 C ATOM 712 O VAL A 46 11.763 -2.793 -8.475 1.00 0.00 O ATOM 713 CB VAL A 46 12.697 -5.692 -9.940 1.00 0.00 C ATOM 714 CG1 VAL A 46 12.622 -7.232 -10.057 1.00 0.00 C ATOM 715 CG2 VAL A 46 11.975 -5.018 -11.123 1.00 0.00 C ATOM 0 H VAL A 46 10.208 -4.403 -8.782 1.00 0.00 H new ATOM 0 HA VAL A 46 12.573 -5.822 -7.788 1.00 0.00 H new ATOM 0 HB VAL A 46 13.750 -5.415 -9.982 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.008 -7.542 -11.028 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.219 -7.686 -9.266 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.585 -7.554 -9.959 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.376 -5.403 -12.061 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.908 -5.234 -11.069 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.130 -3.940 -11.077 1.00 0.00 H new ATOM 725 N VAL A 47 13.868 -3.498 -7.998 1.00 0.00 N ATOM 726 CA VAL A 47 14.443 -2.150 -7.845 1.00 0.00 C ATOM 727 C VAL A 47 14.600 -1.521 -9.246 1.00 0.00 C ATOM 728 O VAL A 47 15.498 -1.892 -10.008 1.00 0.00 O ATOM 729 CB VAL A 47 15.827 -2.202 -7.083 1.00 0.00 C ATOM 730 CG1 VAL A 47 16.470 -0.798 -6.953 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.656 -2.866 -5.694 1.00 0.00 C ATOM 0 H VAL A 47 14.533 -4.252 -7.827 1.00 0.00 H new ATOM 0 HA VAL A 47 13.775 -1.535 -7.242 1.00 0.00 H new ATOM 0 HB VAL A 47 16.508 -2.811 -7.678 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.419 -0.880 -6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.644 -0.384 -7.946 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.800 -0.141 -6.398 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.618 -2.894 -5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.946 -2.290 -5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.283 -3.882 -5.820 1.00 0.00 H new ATOM 741 N GLY A 48 13.681 -0.604 -9.577 1.00 0.00 N ATOM 742 CA GLY A 48 13.593 0.012 -10.910 1.00 0.00 C ATOM 743 C GLY A 48 12.290 -0.343 -11.620 1.00 0.00 C ATOM 744 O GLY A 48 11.897 0.336 -12.572 1.00 0.00 O ATOM 0 H GLY A 48 12.973 -0.266 -8.925 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.670 1.095 -10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.437 -0.315 -11.517 1.00 0.00 H new ATOM 748 N GLY A 49 11.629 -1.422 -11.152 1.00 0.00 N ATOM 749 CA GLY A 49 10.341 -1.861 -11.696 1.00 0.00 C ATOM 750 C GLY A 49 9.184 -1.030 -11.176 1.00 0.00 C ATOM 751 O GLY A 49 9.249 -0.490 -10.068 1.00 0.00 O ATOM 0 H GLY A 49 11.976 -2.006 -10.391 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.369 -1.801 -12.784 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.178 -2.908 -11.439 1.00 0.00 H new ATOM 755 N ARG A 50 8.115 -0.946 -11.972 1.00 0.00 N ATOM 756 CA ARG A 50 6.969 -0.057 -11.703 1.00 0.00 C ATOM 757 C ARG A 50 5.762 -0.874 -11.240 1.00 0.00 C ATOM 758 O ARG A 50 5.755 -2.108 -11.326 1.00 0.00 O ATOM 759 CB ARG A 50 6.610 0.766 -12.975 1.00 0.00 C ATOM 760 CG ARG A 50 7.791 1.574 -13.563 1.00 0.00 C ATOM 761 CD ARG A 50 7.406 2.408 -14.798 1.00 0.00 C ATOM 762 NE ARG A 50 8.571 3.116 -15.367 1.00 0.00 N ATOM 763 CZ ARG A 50 9.116 2.889 -16.577 1.00 0.00 C ATOM 764 NH1 ARG A 50 8.633 1.959 -17.390 1.00 0.00 N ATOM 765 NH2 ARG A 50 10.149 3.616 -16.970 1.00 0.00 N ATOM 0 H ARG A 50 8.014 -1.493 -12.827 1.00 0.00 H new ATOM 0 HA ARG A 50 7.246 0.636 -10.909 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.233 0.086 -13.739 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.800 1.453 -12.732 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.186 2.238 -12.794 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.593 0.887 -13.833 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.971 1.756 -15.556 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.639 3.132 -14.523 1.00 0.00 H new ATOM 0 HE ARG A 50 9.001 3.841 -14.792 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.831 1.397 -17.103 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.063 1.806 -18.302 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.525 4.340 -16.358 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.569 3.452 -17.885 1.00 0.00 H new ATOM 779 N PHE A 51 4.745 -0.171 -10.735 1.00 0.00 N ATOM 780 CA PHE A 51 3.443 -0.754 -10.413 1.00 0.00 C ATOM 781 C PHE A 51 2.337 0.290 -10.615 1.00 0.00 C ATOM 782 O PHE A 51 2.610 1.491 -10.793 1.00 0.00 O ATOM 783 CB PHE A 51 3.407 -1.324 -8.961 1.00 0.00 C ATOM 784 CG PHE A 51 3.346 -0.278 -7.850 1.00 0.00 C ATOM 785 CD1 PHE A 51 4.499 0.329 -7.377 1.00 0.00 C ATOM 786 CD2 PHE A 51 2.124 0.095 -7.281 1.00 0.00 C ATOM 787 CE1 PHE A 51 4.439 1.265 -6.374 1.00 0.00 C ATOM 788 CE2 PHE A 51 2.066 1.035 -6.281 1.00 0.00 C ATOM 789 CZ PHE A 51 3.220 1.618 -5.828 1.00 0.00 C ATOM 0 H PHE A 51 4.804 0.828 -10.537 1.00 0.00 H new ATOM 0 HA PHE A 51 3.272 -1.590 -11.091 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.542 -1.980 -8.867 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.293 -1.941 -8.808 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.455 0.063 -7.802 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.212 -0.363 -7.633 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.346 1.726 -6.011 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.114 1.313 -5.853 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.177 2.356 -5.041 1.00 0.00 H new ATOM 799 N CYS A 52 1.091 -0.193 -10.568 1.00 0.00 N ATOM 800 CA CYS A 52 -0.108 0.626 -10.635 1.00 0.00 C ATOM 801 C CYS A 52 -1.278 -0.158 -10.024 1.00 0.00 C ATOM 802 O CYS A 52 -1.457 -1.334 -10.340 1.00 0.00 O ATOM 803 CB CYS A 52 -0.381 0.985 -12.107 1.00 0.00 C ATOM 804 SG CYS A 52 -0.425 -0.440 -13.206 1.00 0.00 S ATOM 0 H CYS A 52 0.891 -1.189 -10.480 1.00 0.00 H new ATOM 0 HA CYS A 52 0.018 1.551 -10.072 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.333 1.512 -12.172 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.389 1.675 -12.452 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.479 -0.371 -13.964 1.00 0.00 H new ATOM 810 N HIS A 53 -2.038 0.471 -9.113 1.00 0.00 N ATOM 811 CA HIS A 53 -3.246 -0.134 -8.519 1.00 0.00 C ATOM 812 C HIS A 53 -4.469 0.627 -9.045 1.00 0.00 C ATOM 813 O HIS A 53 -4.871 1.648 -8.472 1.00 0.00 O ATOM 814 CB HIS A 53 -3.202 -0.088 -6.970 1.00 0.00 C ATOM 815 CG HIS A 53 -1.966 -0.677 -6.336 1.00 0.00 C ATOM 816 ND1 HIS A 53 -1.288 -1.761 -6.852 1.00 0.00 N ATOM 817 CD2 HIS A 53 -1.296 -0.324 -5.209 1.00 0.00 C ATOM 818 CE1 HIS A 53 -0.265 -2.046 -6.077 1.00 0.00 C ATOM 819 NE2 HIS A 53 -0.244 -1.194 -5.072 1.00 0.00 N ATOM 0 H HIS A 53 -1.836 1.409 -8.767 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.301 -1.185 -8.804 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.292 0.951 -6.652 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.074 -0.616 -6.584 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.545 0.490 -4.544 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.442 -2.847 -6.238 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.441 -1.183 -4.317 1.00 0.00 H new ATOM 828 N HIS A 54 -5.013 0.151 -10.170 1.00 0.00 N ATOM 829 CA HIS A 54 -6.101 0.825 -10.897 1.00 0.00 C ATOM 830 C HIS A 54 -7.427 0.661 -10.136 1.00 0.00 C ATOM 831 O HIS A 54 -7.798 -0.463 -9.807 1.00 0.00 O ATOM 832 CB HIS A 54 -6.259 0.214 -12.321 1.00 0.00 C ATOM 833 CG HIS A 54 -5.070 0.369 -13.235 1.00 0.00 C ATOM 834 ND1 HIS A 54 -5.166 0.870 -14.514 1.00 0.00 N ATOM 835 CD2 HIS A 54 -3.770 0.034 -13.073 1.00 0.00 C ATOM 836 CE1 HIS A 54 -3.986 0.836 -15.093 1.00 0.00 C ATOM 837 NE2 HIS A 54 -3.118 0.337 -14.243 1.00 0.00 N ATOM 0 H HIS A 54 -4.710 -0.719 -10.607 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.853 1.883 -10.979 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -6.479 -0.849 -12.218 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.124 0.673 -12.799 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -6.023 1.215 -14.947 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.326 -0.393 -12.186 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -3.767 1.163 -16.099 1.00 0.00 H new ATOM 846 N MET A 55 -8.136 1.771 -9.887 1.00 0.00 N ATOM 847 CA MET A 55 -9.494 1.755 -9.296 1.00 0.00 C ATOM 848 C MET A 55 -10.452 2.459 -10.255 1.00 0.00 C ATOM 849 O MET A 55 -10.089 3.471 -10.859 1.00 0.00 O ATOM 850 CB MET A 55 -9.572 2.491 -7.934 1.00 0.00 C ATOM 851 CG MET A 55 -8.623 2.020 -6.843 1.00 0.00 C ATOM 852 SD MET A 55 -8.968 2.863 -5.277 1.00 0.00 S ATOM 853 CE MET A 55 -9.025 4.597 -5.766 1.00 0.00 C ATOM 0 H MET A 55 -7.789 2.709 -10.088 1.00 0.00 H new ATOM 0 HA MET A 55 -9.758 0.710 -9.132 1.00 0.00 H new ATOM 0 HB2 MET A 55 -9.388 3.551 -8.110 1.00 0.00 H new ATOM 0 HB3 MET A 55 -10.591 2.403 -7.558 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.722 0.943 -6.710 1.00 0.00 H new ATOM 0 HG3 MET A 55 -7.593 2.211 -7.144 1.00 0.00 H new ATOM 0 HE1 MET A 55 -8.803 5.226 -4.904 1.00 0.00 H new ATOM 0 HE2 MET A 55 -8.287 4.779 -6.548 1.00 0.00 H new ATOM 0 HE3 MET A 55 -10.019 4.836 -6.143 1.00 0.00 H new ATOM 863 N ALA A 56 -11.673 1.949 -10.361 1.00 0.00 N ATOM 864 CA ALA A 56 -12.739 2.583 -11.135 1.00 0.00 C ATOM 865 C ALA A 56 -13.960 2.776 -10.242 1.00 0.00 C ATOM 866 O ALA A 56 -14.258 1.920 -9.395 1.00 0.00 O ATOM 867 CB ALA A 56 -13.092 1.739 -12.368 1.00 0.00 C ATOM 0 H ALA A 56 -11.955 1.079 -9.910 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.397 3.555 -11.489 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.887 2.230 -12.929 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.211 1.635 -13.002 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.428 0.752 -12.049 1.00 0.00 H new ATOM 873 N ALA A 57 -14.626 3.925 -10.416 1.00 0.00 N ATOM 874 CA ALA A 57 -15.961 4.179 -9.868 1.00 0.00 C ATOM 875 C ALA A 57 -16.964 3.176 -10.479 1.00 0.00 C ATOM 876 O ALA A 57 -16.749 2.698 -11.600 1.00 0.00 O ATOM 877 CB ALA A 57 -16.364 5.630 -10.177 1.00 0.00 C ATOM 0 H ALA A 57 -14.248 4.710 -10.946 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.960 4.044 -8.786 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.357 5.826 -9.772 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.645 6.312 -9.722 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.376 5.782 -11.256 1.00 0.00 H new ATOM 883 N LYS A 58 -18.049 2.863 -9.750 1.00 0.00 N ATOM 884 CA LYS A 58 -19.055 1.859 -10.185 1.00 0.00 C ATOM 885 C LYS A 58 -19.825 2.329 -11.437 1.00 0.00 C ATOM 886 O LYS A 58 -20.300 1.503 -12.221 1.00 0.00 O ATOM 887 CB LYS A 58 -20.032 1.511 -9.031 1.00 0.00 C ATOM 888 CG LYS A 58 -19.342 0.910 -7.782 1.00 0.00 C ATOM 889 CD LYS A 58 -20.353 0.424 -6.716 1.00 0.00 C ATOM 890 CE LYS A 58 -21.175 -0.791 -7.180 1.00 0.00 C ATOM 891 NZ LYS A 58 -22.128 -1.262 -6.134 1.00 0.00 N ATOM 0 H LYS A 58 -18.259 3.291 -8.848 1.00 0.00 H new ATOM 0 HA LYS A 58 -18.513 0.953 -10.455 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -20.568 2.414 -8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -20.775 0.804 -9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -18.712 0.074 -8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -18.685 1.659 -7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -19.815 0.165 -5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -21.030 1.241 -6.466 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -21.729 -0.529 -8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -20.499 -1.604 -7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -22.659 -2.081 -6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -21.600 -1.537 -5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -22.791 -0.496 -5.898 1.00 0.00 H new ATOM 905 N ASP A 59 -19.917 3.661 -11.615 1.00 0.00 N ATOM 906 CA ASP A 59 -20.475 4.286 -12.839 1.00 0.00 C ATOM 907 C ASP A 59 -19.545 4.062 -14.048 1.00 0.00 C ATOM 908 O ASP A 59 -19.991 4.114 -15.193 1.00 0.00 O ATOM 909 CB ASP A 59 -20.687 5.815 -12.645 1.00 0.00 C ATOM 910 CG ASP A 59 -21.628 6.154 -11.482 1.00 0.00 C ATOM 911 OD1 ASP A 59 -21.146 6.278 -10.338 1.00 0.00 O ATOM 912 OD2 ASP A 59 -22.855 6.289 -11.701 1.00 0.00 O ATOM 0 H ASP A 59 -19.608 4.337 -10.917 1.00 0.00 H new ATOM 0 HA ASP A 59 -21.438 3.811 -13.028 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.721 6.290 -12.472 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.090 6.239 -13.565 1.00 0.00 H new ATOM 917 N GLY A 60 -18.242 3.848 -13.769 1.00 0.00 N ATOM 918 CA GLY A 60 -17.217 3.684 -14.808 1.00 0.00 C ATOM 919 C GLY A 60 -16.765 5.007 -15.418 1.00 0.00 C ATOM 920 O GLY A 60 -15.890 5.027 -16.287 1.00 0.00 O ATOM 0 H GLY A 60 -17.877 3.785 -12.819 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.354 3.174 -14.381 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -17.608 3.042 -15.597 1.00 0.00 H new ATOM 924 N SER A 61 -17.358 6.113 -14.934 1.00 0.00 N ATOM 925 CA SER A 61 -17.167 7.463 -15.485 1.00 0.00 C ATOM 926 C SER A 61 -15.913 8.144 -14.891 1.00 0.00 C ATOM 927 O SER A 61 -15.460 9.169 -15.406 1.00 0.00 O ATOM 928 CB SER A 61 -18.440 8.306 -15.203 1.00 0.00 C ATOM 929 OG SER A 61 -18.472 9.487 -15.984 1.00 0.00 O ATOM 0 H SER A 61 -17.993 6.091 -14.136 1.00 0.00 H new ATOM 0 HA SER A 61 -17.009 7.388 -16.561 1.00 0.00 H new ATOM 0 HB2 SER A 61 -19.326 7.707 -15.413 1.00 0.00 H new ATOM 0 HB3 SER A 61 -18.475 8.568 -14.146 1.00 0.00 H new ATOM 0 HG SER A 61 -17.557 9.803 -16.136 1.00 0.00 H new ATOM 935 N ALA A 62 -15.364 7.557 -13.812 1.00 0.00 N ATOM 936 CA ALA A 62 -14.184 8.080 -13.097 1.00 0.00 C ATOM 937 C ALA A 62 -13.231 6.922 -12.748 1.00 0.00 C ATOM 938 O ALA A 62 -13.684 5.799 -12.478 1.00 0.00 O ATOM 939 CB ALA A 62 -14.624 8.838 -11.828 1.00 0.00 C ATOM 0 H ALA A 62 -15.731 6.696 -13.407 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.653 8.781 -13.741 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.745 9.219 -11.309 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.270 9.670 -12.107 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.169 8.161 -11.170 1.00 0.00 H new ATOM 945 N GLY A 63 -11.915 7.198 -12.775 1.00 0.00 N ATOM 946 CA GLY A 63 -10.883 6.202 -12.469 1.00 0.00 C ATOM 947 C GLY A 63 -9.646 6.833 -11.841 1.00 0.00 C ATOM 948 O GLY A 63 -9.092 7.787 -12.390 1.00 0.00 O ATOM 0 H GLY A 63 -11.541 8.118 -13.010 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.292 5.454 -11.790 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.599 5.682 -13.384 1.00 0.00 H new ATOM 952 N PHE A 64 -9.216 6.310 -10.677 1.00 0.00 N ATOM 953 CA PHE A 64 -8.017 6.785 -9.958 1.00 0.00 C ATOM 954 C PHE A 64 -7.055 5.607 -9.788 1.00 0.00 C ATOM 955 O PHE A 64 -7.461 4.530 -9.357 1.00 0.00 O ATOM 956 CB PHE A 64 -8.400 7.384 -8.573 1.00 0.00 C ATOM 957 CG PHE A 64 -7.221 8.007 -7.799 1.00 0.00 C ATOM 958 CD1 PHE A 64 -6.810 9.318 -8.056 1.00 0.00 C ATOM 959 CD2 PHE A 64 -6.516 7.280 -6.831 1.00 0.00 C ATOM 960 CE1 PHE A 64 -5.743 9.879 -7.374 1.00 0.00 C ATOM 961 CE2 PHE A 64 -5.448 7.845 -6.154 1.00 0.00 C ATOM 962 CZ PHE A 64 -5.064 9.142 -6.425 1.00 0.00 C ATOM 0 H PHE A 64 -9.693 5.541 -10.206 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.536 7.576 -10.533 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -9.165 8.146 -8.720 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -8.845 6.599 -7.962 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.333 9.903 -8.798 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.809 6.265 -6.610 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.442 10.894 -7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.915 7.269 -5.412 1.00 0.00 H new ATOM 0 HZ PHE A 64 -4.232 9.581 -5.894 1.00 0.00 H new ATOM 972 N ASP A 65 -5.782 5.835 -10.104 1.00 0.00 N ATOM 973 CA ASP A 65 -4.745 4.790 -10.115 1.00 0.00 C ATOM 974 C ASP A 65 -3.647 5.129 -9.076 1.00 0.00 C ATOM 975 O ASP A 65 -3.337 6.307 -8.860 1.00 0.00 O ATOM 976 CB ASP A 65 -4.168 4.706 -11.562 1.00 0.00 C ATOM 977 CG ASP A 65 -3.295 3.473 -11.875 1.00 0.00 C ATOM 978 OD1 ASP A 65 -2.997 2.671 -10.969 1.00 0.00 O ATOM 979 OD2 ASP A 65 -2.898 3.305 -13.055 1.00 0.00 O ATOM 0 H ASP A 65 -5.432 6.757 -10.363 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.160 3.821 -9.839 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.001 4.724 -12.265 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.575 5.602 -11.747 1.00 0.00 H new ATOM 984 N PHE A 66 -3.082 4.097 -8.429 1.00 0.00 N ATOM 985 CA PHE A 66 -1.948 4.248 -7.492 1.00 0.00 C ATOM 986 C PHE A 66 -0.660 3.799 -8.194 1.00 0.00 C ATOM 987 O PHE A 66 -0.198 2.660 -8.018 1.00 0.00 O ATOM 988 CB PHE A 66 -2.174 3.444 -6.182 1.00 0.00 C ATOM 989 CG PHE A 66 -3.409 3.862 -5.386 1.00 0.00 C ATOM 990 CD1 PHE A 66 -3.359 4.939 -4.503 1.00 0.00 C ATOM 991 CD2 PHE A 66 -4.611 3.168 -5.506 1.00 0.00 C ATOM 992 CE1 PHE A 66 -4.474 5.304 -3.770 1.00 0.00 C ATOM 993 CE2 PHE A 66 -5.717 3.538 -4.775 1.00 0.00 C ATOM 994 CZ PHE A 66 -5.651 4.605 -3.906 1.00 0.00 C ATOM 0 H PHE A 66 -3.396 3.133 -8.538 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.864 5.297 -7.207 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.259 2.386 -6.430 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.294 3.553 -5.547 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.440 5.495 -4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.676 2.328 -6.182 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.420 6.140 -3.089 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.641 2.989 -4.883 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.521 4.892 -3.333 1.00 0.00 H new ATOM 1004 N THR A 67 -0.134 4.684 -9.039 1.00 0.00 N ATOM 1005 CA THR A 67 1.084 4.440 -9.817 1.00 0.00 C ATOM 1006 C THR A 67 2.336 4.815 -9.004 1.00 0.00 C ATOM 1007 O THR A 67 2.357 5.861 -8.344 1.00 0.00 O ATOM 1008 CB THR A 67 1.054 5.266 -11.138 1.00 0.00 C ATOM 1009 OG1 THR A 67 0.773 6.644 -10.843 1.00 0.00 O ATOM 1010 CG2 THR A 67 0.003 4.747 -12.120 1.00 0.00 C ATOM 0 H THR A 67 -0.545 5.602 -9.206 1.00 0.00 H new ATOM 0 HA THR A 67 1.126 3.377 -10.056 1.00 0.00 H new ATOM 0 HB THR A 67 2.034 5.164 -11.604 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.174 6.882 -9.981 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.020 5.354 -13.025 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.223 3.710 -12.374 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.984 4.806 -11.661 1.00 0.00 H new ATOM 1018 N GLY A 68 3.360 3.957 -9.069 1.00 0.00 N ATOM 1019 CA GLY A 68 4.648 4.192 -8.412 1.00 0.00 C ATOM 1020 C GLY A 68 5.743 3.326 -9.017 1.00 0.00 C ATOM 1021 O GLY A 68 5.465 2.511 -9.895 1.00 0.00 O ATOM 0 H GLY A 68 3.317 3.076 -9.582 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.920 5.243 -8.505 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.560 3.979 -7.347 1.00 0.00 H new ATOM 1025 N THR A 69 6.992 3.521 -8.574 1.00 0.00 N ATOM 1026 CA THR A 69 8.147 2.733 -9.037 1.00 0.00 C ATOM 1027 C THR A 69 9.025 2.380 -7.832 1.00 0.00 C ATOM 1028 O THR A 69 9.487 3.286 -7.121 1.00 0.00 O ATOM 1029 CB THR A 69 8.979 3.536 -10.099 1.00 0.00 C ATOM 1030 OG1 THR A 69 8.119 3.960 -11.176 1.00 0.00 O ATOM 1031 CG2 THR A 69 10.137 2.701 -10.679 1.00 0.00 C ATOM 0 H THR A 69 7.233 4.231 -7.883 1.00 0.00 H new ATOM 0 HA THR A 69 7.790 1.819 -9.512 1.00 0.00 H new ATOM 0 HB THR A 69 9.406 4.400 -9.590 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.643 4.462 -11.835 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.685 3.297 -11.409 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.810 2.404 -9.875 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.736 1.811 -11.164 1.00 0.00 H new ATOM 1039 N PHE A 70 9.263 1.070 -7.634 1.00 0.00 N ATOM 1040 CA PHE A 70 9.985 0.534 -6.475 1.00 0.00 C ATOM 1041 C PHE A 70 11.452 0.994 -6.483 1.00 0.00 C ATOM 1042 O PHE A 70 12.200 0.698 -7.418 1.00 0.00 O ATOM 1043 CB PHE A 70 9.909 -1.010 -6.467 1.00 0.00 C ATOM 1044 CG PHE A 70 8.495 -1.580 -6.491 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.644 -1.406 -5.408 1.00 0.00 C ATOM 1046 CD2 PHE A 70 8.019 -2.294 -7.590 1.00 0.00 C ATOM 1047 CE1 PHE A 70 6.369 -1.927 -5.418 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.741 -2.814 -7.600 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.918 -2.633 -6.513 1.00 0.00 C ATOM 0 H PHE A 70 8.954 0.349 -8.285 1.00 0.00 H new ATOM 0 HA PHE A 70 9.512 0.917 -5.570 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.454 -1.391 -7.330 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.420 -1.380 -5.578 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.987 -0.854 -4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.660 -2.442 -8.446 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.721 -1.782 -4.566 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.387 -3.363 -8.460 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.919 -3.044 -6.517 1.00 0.00 H new ATOM 1059 N THR A 71 11.826 1.735 -5.444 1.00 0.00 N ATOM 1060 CA THR A 71 13.180 2.270 -5.269 1.00 0.00 C ATOM 1061 C THR A 71 14.021 1.350 -4.383 1.00 0.00 C ATOM 1062 O THR A 71 15.226 1.205 -4.596 1.00 0.00 O ATOM 1063 CB THR A 71 13.106 3.694 -4.659 1.00 0.00 C ATOM 1064 OG1 THR A 71 12.297 3.668 -3.464 1.00 0.00 O ATOM 1065 CG2 THR A 71 12.523 4.696 -5.667 1.00 0.00 C ATOM 0 H THR A 71 11.190 1.986 -4.687 1.00 0.00 H new ATOM 0 HA THR A 71 13.662 2.325 -6.245 1.00 0.00 H new ATOM 0 HB THR A 71 14.117 4.016 -4.408 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.253 4.568 -3.079 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.482 5.686 -5.214 1.00 0.00 H new ATOM 0 HG22 THR A 71 13.155 4.729 -6.554 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.517 4.385 -5.949 1.00 0.00 H new ATOM 1073 N ARG A 72 13.372 0.730 -3.389 1.00 0.00 N ATOM 1074 CA ARG A 72 14.032 -0.198 -2.471 1.00 0.00 C ATOM 1075 C ARG A 72 13.052 -1.311 -2.081 1.00 0.00 C ATOM 1076 O ARG A 72 12.015 -1.052 -1.468 1.00 0.00 O ATOM 1077 CB ARG A 72 14.541 0.583 -1.226 1.00 0.00 C ATOM 1078 CG ARG A 72 15.339 -0.256 -0.201 1.00 0.00 C ATOM 1079 CD ARG A 72 15.925 0.595 0.942 1.00 0.00 C ATOM 1080 NE ARG A 72 16.893 1.602 0.458 1.00 0.00 N ATOM 1081 CZ ARG A 72 17.592 2.446 1.237 1.00 0.00 C ATOM 1082 NH1 ARG A 72 17.467 2.425 2.565 1.00 0.00 N ATOM 1083 NH2 ARG A 72 18.443 3.299 0.680 1.00 0.00 N ATOM 0 H ARG A 72 12.378 0.859 -3.202 1.00 0.00 H new ATOM 0 HA ARG A 72 14.893 -0.661 -2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.170 1.406 -1.566 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.683 1.026 -0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.688 -1.022 0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.149 -0.773 -0.714 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.114 1.099 1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.416 -0.059 1.663 1.00 0.00 H new ATOM 0 HE ARG A 72 17.043 1.661 -0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 72 16.832 1.760 3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.006 3.074 3.138 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.563 3.311 -0.333 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.977 3.942 1.265 1.00 0.00 H new ATOM 1097 N VAL A 73 13.395 -2.551 -2.451 1.00 0.00 N ATOM 1098 CA VAL A 73 12.615 -3.756 -2.130 1.00 0.00 C ATOM 1099 C VAL A 73 13.406 -4.583 -1.112 1.00 0.00 C ATOM 1100 O VAL A 73 14.369 -5.265 -1.476 1.00 0.00 O ATOM 1101 CB VAL A 73 12.318 -4.628 -3.419 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.529 -5.921 -3.068 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.578 -3.800 -4.492 1.00 0.00 C ATOM 0 H VAL A 73 14.237 -2.750 -2.991 1.00 0.00 H new ATOM 0 HA VAL A 73 11.652 -3.452 -1.719 1.00 0.00 H new ATOM 0 HB VAL A 73 13.279 -4.934 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.344 -6.493 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.111 -6.525 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.578 -5.653 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.387 -4.424 -5.365 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.631 -3.443 -4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.193 -2.948 -4.782 1.00 0.00 H new ATOM 1113 N GLU A 74 13.043 -4.465 0.166 1.00 0.00 N ATOM 1114 CA GLU A 74 13.623 -5.275 1.251 1.00 0.00 C ATOM 1115 C GLU A 74 12.591 -6.331 1.671 1.00 0.00 C ATOM 1116 O GLU A 74 12.012 -6.247 2.750 1.00 0.00 O ATOM 1117 CB GLU A 74 14.020 -4.369 2.453 1.00 0.00 C ATOM 1118 CG GLU A 74 15.087 -3.305 2.142 1.00 0.00 C ATOM 1119 CD GLU A 74 15.488 -2.479 3.379 1.00 0.00 C ATOM 1120 OE1 GLU A 74 16.292 -2.977 4.202 1.00 0.00 O ATOM 1121 OE2 GLU A 74 14.997 -1.349 3.546 1.00 0.00 O ATOM 0 H GLU A 74 12.335 -3.803 0.484 1.00 0.00 H new ATOM 0 HA GLU A 74 14.530 -5.771 0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.125 -3.867 2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.386 -5.003 3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.972 -3.794 1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.710 -2.634 1.370 1.00 0.00 H new ATOM 1128 N ALA A 75 12.340 -7.301 0.790 1.00 0.00 N ATOM 1129 CA ALA A 75 11.286 -8.310 0.975 1.00 0.00 C ATOM 1130 C ALA A 75 11.642 -9.300 2.111 1.00 0.00 C ATOM 1131 O ALA A 75 12.760 -9.818 2.135 1.00 0.00 O ATOM 1132 CB ALA A 75 11.059 -9.061 -0.343 1.00 0.00 C ATOM 0 H ALA A 75 12.863 -7.413 -0.078 1.00 0.00 H new ATOM 0 HA ALA A 75 10.367 -7.800 1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.278 -9.809 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.754 -8.355 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.983 -9.553 -0.645 1.00 0.00 H new ATOM 1138 N PRO A 76 10.708 -9.583 3.078 1.00 0.00 N ATOM 1139 CA PRO A 76 9.365 -8.959 3.182 1.00 0.00 C ATOM 1140 C PRO A 76 9.294 -7.783 4.191 1.00 0.00 C ATOM 1141 O PRO A 76 8.208 -7.287 4.485 1.00 0.00 O ATOM 1142 CB PRO A 76 8.535 -10.162 3.666 1.00 0.00 C ATOM 1143 CG PRO A 76 9.455 -10.894 4.609 1.00 0.00 C ATOM 1144 CD PRO A 76 10.879 -10.604 4.148 1.00 0.00 C ATOM 0 HA PRO A 76 9.033 -8.498 2.252 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.624 -9.840 4.170 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.232 -10.797 2.833 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.305 -10.558 5.635 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.254 -11.965 4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.495 -10.227 4.965 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.367 -11.502 3.769 1.00 0.00 H new ATOM 1152 N THR A 77 10.462 -7.330 4.677 1.00 0.00 N ATOM 1153 CA THR A 77 10.590 -6.427 5.841 1.00 0.00 C ATOM 1154 C THR A 77 10.332 -4.935 5.529 1.00 0.00 C ATOM 1155 O THR A 77 10.158 -4.140 6.466 1.00 0.00 O ATOM 1156 CB THR A 77 12.005 -6.602 6.464 1.00 0.00 C ATOM 1157 OG1 THR A 77 12.999 -6.375 5.456 1.00 0.00 O ATOM 1158 CG2 THR A 77 12.195 -8.010 7.047 1.00 0.00 C ATOM 0 H THR A 77 11.361 -7.584 4.267 1.00 0.00 H new ATOM 0 HA THR A 77 9.808 -6.716 6.543 1.00 0.00 H new ATOM 0 HB THR A 77 12.108 -5.879 7.274 1.00 0.00 H new ATOM 0 HG1 THR A 77 12.560 -6.190 4.600 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.195 -8.095 7.473 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.452 -8.185 7.825 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.073 -8.751 6.257 1.00 0.00 H new ATOM 1166 N ARG A 78 10.319 -4.560 4.243 1.00 0.00 N ATOM 1167 CA ARG A 78 10.080 -3.164 3.816 1.00 0.00 C ATOM 1168 C ARG A 78 9.880 -3.104 2.300 1.00 0.00 C ATOM 1169 O ARG A 78 10.481 -3.869 1.539 1.00 0.00 O ATOM 1170 CB ARG A 78 11.248 -2.208 4.216 1.00 0.00 C ATOM 1171 CG ARG A 78 10.967 -0.698 3.980 1.00 0.00 C ATOM 1172 CD ARG A 78 12.177 0.194 4.291 1.00 0.00 C ATOM 1173 NE ARG A 78 12.678 0.011 5.668 1.00 0.00 N ATOM 1174 CZ ARG A 78 12.626 0.930 6.647 1.00 0.00 C ATOM 1175 NH1 ARG A 78 12.100 2.135 6.436 1.00 0.00 N ATOM 1176 NH2 ARG A 78 13.095 0.625 7.849 1.00 0.00 N ATOM 0 H ARG A 78 10.472 -5.207 3.469 1.00 0.00 H new ATOM 0 HA ARG A 78 9.180 -2.826 4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.477 -2.360 5.271 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.138 -2.490 3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.669 -0.548 2.942 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.126 -0.389 4.601 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.977 -0.027 3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.901 1.238 4.144 1.00 0.00 H new ATOM 0 HE ARG A 78 13.099 -0.890 5.895 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.727 2.375 5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.070 2.818 7.193 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.490 -0.299 8.023 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.061 1.315 8.600 1.00 0.00 H new ATOM 1190 N LEU A 79 9.048 -2.162 1.881 1.00 0.00 N ATOM 1191 CA LEU A 79 8.819 -1.824 0.489 1.00 0.00 C ATOM 1192 C LEU A 79 8.869 -0.309 0.383 1.00 0.00 C ATOM 1193 O LEU A 79 8.214 0.382 1.158 1.00 0.00 O ATOM 1194 CB LEU A 79 7.452 -2.355 -0.008 1.00 0.00 C ATOM 1195 CG LEU A 79 7.214 -2.229 -1.541 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.352 -2.909 -2.329 1.00 0.00 C ATOM 1197 CD2 LEU A 79 5.836 -2.796 -1.932 1.00 0.00 C ATOM 0 H LEU A 79 8.496 -1.594 2.524 1.00 0.00 H new ATOM 0 HA LEU A 79 9.581 -2.288 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.363 -3.404 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.660 -1.817 0.513 1.00 0.00 H new ATOM 0 HG LEU A 79 7.218 -1.171 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.165 -2.809 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.301 -2.434 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.396 -3.966 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.694 -2.696 -3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.784 -3.849 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.054 -2.244 -1.410 1.00 0.00 H new ATOM 1209 N SER A 80 9.639 0.199 -0.563 1.00 0.00 N ATOM 1210 CA SER A 80 9.826 1.637 -0.746 1.00 0.00 C ATOM 1211 C SER A 80 9.717 1.956 -2.227 1.00 0.00 C ATOM 1212 O SER A 80 10.190 1.178 -3.071 1.00 0.00 O ATOM 1213 CB SER A 80 11.188 2.078 -0.184 1.00 0.00 C ATOM 1214 OG SER A 80 11.302 3.490 -0.172 1.00 0.00 O ATOM 0 H SER A 80 10.156 -0.372 -1.231 1.00 0.00 H new ATOM 0 HA SER A 80 9.056 2.184 -0.202 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.310 1.692 0.828 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.989 1.651 -0.787 1.00 0.00 H new ATOM 0 HG SER A 80 11.251 3.814 0.751 1.00 0.00 H new ATOM 1220 N PHE A 81 9.098 3.096 -2.533 1.00 0.00 N ATOM 1221 CA PHE A 81 8.819 3.517 -3.902 1.00 0.00 C ATOM 1222 C PHE A 81 8.544 5.021 -3.957 1.00 0.00 C ATOM 1223 O PHE A 81 8.297 5.663 -2.937 1.00 0.00 O ATOM 1224 CB PHE A 81 7.634 2.695 -4.506 1.00 0.00 C ATOM 1225 CG PHE A 81 6.359 2.622 -3.658 1.00 0.00 C ATOM 1226 CD1 PHE A 81 5.357 3.591 -3.765 1.00 0.00 C ATOM 1227 CD2 PHE A 81 6.144 1.551 -2.779 1.00 0.00 C ATOM 1228 CE1 PHE A 81 4.195 3.492 -3.025 1.00 0.00 C ATOM 1229 CE2 PHE A 81 4.984 1.459 -2.036 1.00 0.00 C ATOM 1230 CZ PHE A 81 4.008 2.425 -2.161 1.00 0.00 C ATOM 0 H PHE A 81 8.774 3.759 -1.829 1.00 0.00 H new ATOM 0 HA PHE A 81 9.701 3.318 -4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.377 3.125 -5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.981 1.678 -4.691 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.493 4.427 -4.435 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.899 0.785 -2.681 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.430 4.248 -3.120 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.841 0.631 -1.357 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.097 2.350 -1.585 1.00 0.00 H new ATOM 1240 N VAL A 82 8.604 5.563 -5.175 1.00 0.00 N ATOM 1241 CA VAL A 82 8.207 6.942 -5.488 1.00 0.00 C ATOM 1242 C VAL A 82 7.020 6.860 -6.442 1.00 0.00 C ATOM 1243 O VAL A 82 7.106 6.142 -7.442 1.00 0.00 O ATOM 1244 CB VAL A 82 9.368 7.760 -6.180 1.00 0.00 C ATOM 1245 CG1 VAL A 82 8.945 9.217 -6.482 1.00 0.00 C ATOM 1246 CG2 VAL A 82 10.658 7.727 -5.340 1.00 0.00 C ATOM 0 H VAL A 82 8.936 5.047 -5.990 1.00 0.00 H new ATOM 0 HA VAL A 82 7.960 7.460 -4.561 1.00 0.00 H new ATOM 0 HB VAL A 82 9.574 7.273 -7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.772 9.745 -6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.084 9.215 -7.150 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.681 9.720 -5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.436 8.299 -5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.465 8.163 -4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.987 6.695 -5.219 1.00 0.00 H new ATOM 1256 N MET A 83 5.938 7.599 -6.157 1.00 0.00 N ATOM 1257 CA MET A 83 4.766 7.639 -7.045 1.00 0.00 C ATOM 1258 C MET A 83 5.124 8.331 -8.370 1.00 0.00 C ATOM 1259 O MET A 83 6.135 9.045 -8.459 1.00 0.00 O ATOM 1260 CB MET A 83 3.580 8.385 -6.398 1.00 0.00 C ATOM 1261 CG MET A 83 2.970 7.736 -5.158 1.00 0.00 C ATOM 1262 SD MET A 83 1.544 8.686 -4.575 1.00 0.00 S ATOM 1263 CE MET A 83 1.043 7.759 -3.138 1.00 0.00 C ATOM 0 H MET A 83 5.850 8.176 -5.321 1.00 0.00 H new ATOM 0 HA MET A 83 4.468 6.607 -7.228 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.911 9.389 -6.131 1.00 0.00 H new ATOM 0 HB3 MET A 83 2.796 8.497 -7.147 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.664 6.716 -5.389 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.719 7.673 -4.369 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.027 7.559 -3.189 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.588 6.815 -3.106 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.262 8.335 -2.239 1.00 0.00 H new ATOM 1273 N ASP A 84 4.272 8.136 -9.381 1.00 0.00 N ATOM 1274 CA ASP A 84 4.401 8.807 -10.692 1.00 0.00 C ATOM 1275 C ASP A 84 4.230 10.338 -10.552 1.00 0.00 C ATOM 1276 O ASP A 84 4.778 11.112 -11.341 1.00 0.00 O ATOM 1277 CB ASP A 84 3.367 8.212 -11.677 1.00 0.00 C ATOM 1278 CG ASP A 84 3.390 8.839 -13.091 1.00 0.00 C ATOM 1279 OD1 ASP A 84 4.277 8.483 -13.901 1.00 0.00 O ATOM 1280 OD2 ASP A 84 2.515 9.673 -13.407 1.00 0.00 O ATOM 0 H ASP A 84 3.470 7.509 -9.320 1.00 0.00 H new ATOM 0 HA ASP A 84 5.402 8.632 -11.086 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.545 7.140 -11.766 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.370 8.336 -11.255 1.00 0.00 H new ATOM 1285 N ASP A 85 3.498 10.751 -9.497 1.00 0.00 N ATOM 1286 CA ASP A 85 3.257 12.171 -9.150 1.00 0.00 C ATOM 1287 C ASP A 85 4.443 12.759 -8.310 1.00 0.00 C ATOM 1288 O ASP A 85 4.480 13.953 -7.998 1.00 0.00 O ATOM 1289 CB ASP A 85 1.872 12.275 -8.430 1.00 0.00 C ATOM 1290 CG ASP A 85 1.553 13.665 -7.844 1.00 0.00 C ATOM 1291 OD1 ASP A 85 1.436 14.638 -8.621 1.00 0.00 O ATOM 1292 OD2 ASP A 85 1.430 13.792 -6.607 1.00 0.00 O ATOM 0 H ASP A 85 3.050 10.100 -8.852 1.00 0.00 H new ATOM 0 HA ASP A 85 3.217 12.783 -10.051 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.089 12.006 -9.138 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.840 11.540 -7.625 1.00 0.00 H new ATOM 1297 N GLY A 86 5.434 11.899 -7.990 1.00 0.00 N ATOM 1298 CA GLY A 86 6.733 12.340 -7.450 1.00 0.00 C ATOM 1299 C GLY A 86 6.892 12.286 -5.936 1.00 0.00 C ATOM 1300 O GLY A 86 8.001 12.511 -5.439 1.00 0.00 O ATOM 0 H GLY A 86 5.355 10.888 -8.099 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.515 11.726 -7.897 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.907 13.366 -7.775 1.00 0.00 H new ATOM 1304 N ARG A 87 5.818 12.008 -5.183 1.00 0.00 N ATOM 1305 CA ARG A 87 5.898 11.913 -3.702 1.00 0.00 C ATOM 1306 C ARG A 87 6.297 10.484 -3.291 1.00 0.00 C ATOM 1307 O ARG A 87 5.765 9.504 -3.832 1.00 0.00 O ATOM 1308 CB ARG A 87 4.564 12.343 -3.013 1.00 0.00 C ATOM 1309 CG ARG A 87 4.278 13.872 -3.028 1.00 0.00 C ATOM 1310 CD ARG A 87 4.007 14.458 -4.428 1.00 0.00 C ATOM 1311 NE ARG A 87 4.059 15.932 -4.432 1.00 0.00 N ATOM 1312 CZ ARG A 87 3.684 16.712 -5.459 1.00 0.00 C ATOM 1313 NH1 ARG A 87 3.204 16.190 -6.584 1.00 0.00 N ATOM 1314 NH2 ARG A 87 3.819 18.025 -5.355 1.00 0.00 N ATOM 0 H ARG A 87 4.886 11.845 -5.563 1.00 0.00 H new ATOM 0 HA ARG A 87 6.665 12.609 -3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.737 11.829 -3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.581 12.002 -1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.417 14.074 -2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.129 14.392 -2.589 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.742 14.068 -5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.027 14.129 -4.775 1.00 0.00 H new ATOM 0 HE ARG A 87 4.406 16.394 -3.591 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.115 15.178 -6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.925 16.801 -7.351 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.204 18.432 -4.503 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.538 18.629 -6.127 1.00 0.00 H new ATOM 1328 N GLU A 88 7.238 10.382 -2.331 1.00 0.00 N ATOM 1329 CA GLU A 88 7.807 9.098 -1.879 1.00 0.00 C ATOM 1330 C GLU A 88 6.924 8.460 -0.794 1.00 0.00 C ATOM 1331 O GLU A 88 6.453 9.154 0.118 1.00 0.00 O ATOM 1332 CB GLU A 88 9.231 9.299 -1.302 1.00 0.00 C ATOM 1333 CG GLU A 88 10.263 9.892 -2.282 1.00 0.00 C ATOM 1334 CD GLU A 88 11.689 9.985 -1.709 1.00 0.00 C ATOM 1335 OE1 GLU A 88 12.113 9.067 -0.968 1.00 0.00 O ATOM 1336 OE2 GLU A 88 12.400 10.975 -1.995 1.00 0.00 O ATOM 0 H GLU A 88 7.626 11.191 -1.846 1.00 0.00 H new ATOM 0 HA GLU A 88 7.853 8.440 -2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.164 9.953 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.601 8.336 -0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.284 9.281 -3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.936 10.889 -2.579 1.00 0.00 H new ATOM 1343 N VAL A 89 6.725 7.135 -0.902 1.00 0.00 N ATOM 1344 CA VAL A 89 6.010 6.315 0.088 1.00 0.00 C ATOM 1345 C VAL A 89 6.897 5.118 0.474 1.00 0.00 C ATOM 1346 O VAL A 89 7.322 4.345 -0.392 1.00 0.00 O ATOM 1347 CB VAL A 89 4.624 5.805 -0.460 1.00 0.00 C ATOM 1348 CG1 VAL A 89 3.865 4.940 0.583 1.00 0.00 C ATOM 1349 CG2 VAL A 89 3.760 6.987 -0.930 1.00 0.00 C ATOM 0 H VAL A 89 7.064 6.594 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 89 5.803 6.932 0.962 1.00 0.00 H new ATOM 0 HB VAL A 89 4.829 5.163 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.915 4.611 0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.468 4.070 0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.678 5.531 1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.807 6.614 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.582 7.663 -0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.278 7.523 -1.725 1.00 0.00 H new ATOM 1359 N ASP A 90 7.169 4.988 1.774 1.00 0.00 N ATOM 1360 CA ASP A 90 7.981 3.911 2.335 1.00 0.00 C ATOM 1361 C ASP A 90 7.111 3.104 3.313 1.00 0.00 C ATOM 1362 O ASP A 90 6.821 3.552 4.424 1.00 0.00 O ATOM 1363 CB ASP A 90 9.192 4.549 3.050 1.00 0.00 C ATOM 1364 CG ASP A 90 10.151 3.522 3.662 1.00 0.00 C ATOM 1365 OD1 ASP A 90 11.065 3.058 2.959 1.00 0.00 O ATOM 1366 OD2 ASP A 90 10.017 3.210 4.858 1.00 0.00 O ATOM 0 H ASP A 90 6.824 5.641 2.477 1.00 0.00 H new ATOM 0 HA ASP A 90 8.346 3.235 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.740 5.167 2.339 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.832 5.212 3.837 1.00 0.00 H new ATOM 1371 N VAL A 91 6.685 1.920 2.881 1.00 0.00 N ATOM 1372 CA VAL A 91 5.831 1.024 3.673 1.00 0.00 C ATOM 1373 C VAL A 91 6.719 -0.006 4.390 1.00 0.00 C ATOM 1374 O VAL A 91 7.354 -0.829 3.748 1.00 0.00 O ATOM 1375 CB VAL A 91 4.786 0.287 2.756 1.00 0.00 C ATOM 1376 CG1 VAL A 91 3.729 -0.465 3.600 1.00 0.00 C ATOM 1377 CG2 VAL A 91 4.128 1.276 1.768 1.00 0.00 C ATOM 0 H VAL A 91 6.923 1.547 1.962 1.00 0.00 H new ATOM 0 HA VAL A 91 5.279 1.614 4.405 1.00 0.00 H new ATOM 0 HB VAL A 91 5.320 -0.460 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.022 -0.964 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.224 -1.207 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.195 0.245 4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.409 0.744 1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.615 2.060 2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.895 1.723 1.136 1.00 0.00 H new ATOM 1387 N GLN A 92 6.738 0.039 5.716 1.00 0.00 N ATOM 1388 CA GLN A 92 7.627 -0.788 6.550 1.00 0.00 C ATOM 1389 C GLN A 92 6.839 -1.986 7.088 1.00 0.00 C ATOM 1390 O GLN A 92 5.657 -1.854 7.388 1.00 0.00 O ATOM 1391 CB GLN A 92 8.156 0.067 7.726 1.00 0.00 C ATOM 1392 CG GLN A 92 8.788 1.400 7.300 1.00 0.00 C ATOM 1393 CD GLN A 92 9.292 2.231 8.477 1.00 0.00 C ATOM 1394 OE1 GLN A 92 10.448 2.121 8.888 1.00 0.00 O ATOM 1395 NE2 GLN A 92 8.422 3.055 9.040 1.00 0.00 N ATOM 0 H GLN A 92 6.132 0.656 6.258 1.00 0.00 H new ATOM 0 HA GLN A 92 8.469 -1.148 5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.333 0.270 8.412 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.895 -0.513 8.278 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.618 1.201 6.623 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.054 1.981 6.742 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.472 3.122 8.674 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.702 3.623 9.840 1.00 0.00 H new ATOM 1404 N PHE A 93 7.489 -3.151 7.181 1.00 0.00 N ATOM 1405 CA PHE A 93 6.878 -4.382 7.710 1.00 0.00 C ATOM 1406 C PHE A 93 7.812 -4.945 8.795 1.00 0.00 C ATOM 1407 O PHE A 93 8.754 -5.689 8.502 1.00 0.00 O ATOM 1408 CB PHE A 93 6.652 -5.416 6.564 1.00 0.00 C ATOM 1409 CG PHE A 93 5.813 -4.915 5.379 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.412 -4.268 4.290 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.433 -5.092 5.351 1.00 0.00 C ATOM 1412 CE1 PHE A 93 5.654 -3.822 3.221 1.00 0.00 C ATOM 1413 CE2 PHE A 93 3.676 -4.644 4.280 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.288 -4.012 3.218 1.00 0.00 C ATOM 0 H PHE A 93 8.459 -3.270 6.891 1.00 0.00 H new ATOM 0 HA PHE A 93 5.901 -4.167 8.143 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.624 -5.735 6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.167 -6.297 6.984 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.481 -4.115 4.285 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.944 -5.586 6.177 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.132 -3.325 2.390 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.606 -4.790 4.277 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.697 -3.665 2.383 1.00 0.00 H new ATOM 1424 N ALA A 94 7.590 -4.518 10.036 1.00 0.00 N ATOM 1425 CA ALA A 94 8.435 -4.890 11.181 1.00 0.00 C ATOM 1426 C ALA A 94 7.855 -6.122 11.887 1.00 0.00 C ATOM 1427 O ALA A 94 6.896 -5.997 12.650 1.00 0.00 O ATOM 1428 CB ALA A 94 8.560 -3.702 12.152 1.00 0.00 C ATOM 0 H ALA A 94 6.816 -3.901 10.283 1.00 0.00 H new ATOM 0 HA ALA A 94 9.433 -5.144 10.823 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.187 -3.987 12.997 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.011 -2.855 11.635 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.571 -3.422 12.513 1.00 0.00 H new ATOM 1434 N SER A 95 8.428 -7.314 11.604 1.00 0.00 N ATOM 1435 CA SER A 95 8.029 -8.574 12.260 1.00 0.00 C ATOM 1436 C SER A 95 8.161 -8.449 13.786 1.00 0.00 C ATOM 1437 O SER A 95 9.226 -8.082 14.299 1.00 0.00 O ATOM 1438 CB SER A 95 8.884 -9.760 11.752 1.00 0.00 C ATOM 1439 OG SER A 95 8.746 -9.926 10.362 1.00 0.00 O ATOM 0 H SER A 95 9.175 -7.426 10.919 1.00 0.00 H new ATOM 0 HA SER A 95 6.987 -8.768 12.007 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.932 -9.589 11.998 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.582 -10.675 12.262 1.00 0.00 H new ATOM 0 HG SER A 95 9.297 -10.680 10.066 1.00 0.00 H new ATOM 1445 N GLU A 96 7.081 -8.766 14.492 1.00 0.00 N ATOM 1446 CA GLU A 96 6.983 -8.619 15.952 1.00 0.00 C ATOM 1447 C GLU A 96 6.518 -9.952 16.575 1.00 0.00 C ATOM 1448 O GLU A 96 5.894 -10.761 15.881 1.00 0.00 O ATOM 1449 CB GLU A 96 5.985 -7.482 16.316 1.00 0.00 C ATOM 1450 CG GLU A 96 4.580 -7.634 15.681 1.00 0.00 C ATOM 1451 CD GLU A 96 3.464 -6.993 16.502 1.00 0.00 C ATOM 1452 OE1 GLU A 96 3.411 -5.751 16.586 1.00 0.00 O ATOM 1453 OE2 GLU A 96 2.636 -7.733 17.088 1.00 0.00 O ATOM 0 H GLU A 96 6.233 -9.139 14.066 1.00 0.00 H new ATOM 0 HA GLU A 96 7.964 -8.358 16.350 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.878 -7.443 17.400 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.410 -6.528 16.003 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.590 -7.188 14.687 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.362 -8.694 15.552 1.00 0.00 H new ATOM 1460 N PRO A 97 6.832 -10.218 17.885 1.00 0.00 N ATOM 1461 CA PRO A 97 6.258 -11.370 18.621 1.00 0.00 C ATOM 1462 C PRO A 97 4.712 -11.262 18.721 1.00 0.00 C ATOM 1463 O PRO A 97 4.183 -10.594 19.616 1.00 0.00 O ATOM 1464 CB PRO A 97 6.947 -11.297 20.020 1.00 0.00 C ATOM 1465 CG PRO A 97 8.168 -10.441 19.809 1.00 0.00 C ATOM 1466 CD PRO A 97 7.789 -9.451 18.734 1.00 0.00 C ATOM 0 HA PRO A 97 6.436 -12.324 18.125 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.282 -10.860 20.765 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.218 -12.290 20.379 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.453 -9.931 20.729 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.022 -11.045 19.502 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.327 -8.558 19.154 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.658 -9.123 18.165 1.00 0.00 H new ATOM 1474 N GLY A 98 4.006 -11.890 17.764 1.00 0.00 N ATOM 1475 CA GLY A 98 2.539 -11.808 17.683 1.00 0.00 C ATOM 1476 C GLY A 98 2.021 -11.440 16.297 1.00 0.00 C ATOM 1477 O GLY A 98 0.808 -11.525 16.061 1.00 0.00 O ATOM 0 H GLY A 98 4.431 -12.462 17.034 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.114 -12.767 17.977 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.185 -11.069 18.402 1.00 0.00 H new ATOM 1481 N GLY A 99 2.916 -11.013 15.376 1.00 0.00 N ATOM 1482 CA GLY A 99 2.510 -10.710 13.990 1.00 0.00 C ATOM 1483 C GLY A 99 3.504 -9.853 13.219 1.00 0.00 C ATOM 1484 O GLY A 99 4.704 -10.159 13.195 1.00 0.00 O ATOM 0 H GLY A 99 3.908 -10.873 15.566 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.364 -11.647 13.454 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.547 -10.200 14.009 1.00 0.00 H new ATOM 1488 N THR A 100 3.000 -8.781 12.573 1.00 0.00 N ATOM 1489 CA THR A 100 3.796 -7.900 11.703 1.00 0.00 C ATOM 1490 C THR A 100 3.293 -6.449 11.826 1.00 0.00 C ATOM 1491 O THR A 100 2.193 -6.127 11.364 1.00 0.00 O ATOM 1492 CB THR A 100 3.703 -8.363 10.209 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.139 -9.728 10.096 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.539 -7.471 9.268 1.00 0.00 C ATOM 0 H THR A 100 2.021 -8.503 12.643 1.00 0.00 H new ATOM 0 HA THR A 100 4.837 -7.954 12.021 1.00 0.00 H new ATOM 0 HB THR A 100 2.660 -8.275 9.904 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.383 -10.328 10.268 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.443 -7.832 8.244 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.180 -6.444 9.326 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.586 -7.507 9.568 1.00 0.00 H new ATOM 1502 N TRP A 101 4.106 -5.591 12.451 1.00 0.00 N ATOM 1503 CA TRP A 101 3.795 -4.171 12.654 1.00 0.00 C ATOM 1504 C TRP A 101 4.144 -3.356 11.391 1.00 0.00 C ATOM 1505 O TRP A 101 5.313 -3.053 11.137 1.00 0.00 O ATOM 1506 CB TRP A 101 4.569 -3.646 13.885 1.00 0.00 C ATOM 1507 CG TRP A 101 4.186 -2.246 14.306 1.00 0.00 C ATOM 1508 CD1 TRP A 101 2.924 -1.744 14.427 1.00 0.00 C ATOM 1509 CD2 TRP A 101 5.072 -1.186 14.693 1.00 0.00 C ATOM 1510 NE1 TRP A 101 2.976 -0.449 14.851 1.00 0.00 N ATOM 1511 CE2 TRP A 101 4.276 -0.080 15.025 1.00 0.00 C ATOM 1512 CE3 TRP A 101 6.459 -1.069 14.789 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 4.816 1.129 15.445 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 7.000 0.133 15.207 1.00 0.00 C ATOM 1515 CH2 TRP A 101 6.179 1.219 15.533 1.00 0.00 C ATOM 0 H TRP A 101 5.010 -5.866 12.835 1.00 0.00 H new ATOM 0 HA TRP A 101 2.726 -4.057 12.837 1.00 0.00 H new ATOM 0 HB2 TRP A 101 4.401 -4.324 14.722 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.636 -3.668 13.666 1.00 0.00 H new ATOM 0 HD1 TRP A 101 2.017 -2.291 14.218 1.00 0.00 H new ATOM 0 HE1 TRP A 101 2.167 0.151 15.013 1.00 0.00 H new ATOM 0 HE3 TRP A 101 7.099 -1.903 14.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 4.183 1.968 15.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 8.072 0.236 15.283 1.00 0.00 H new ATOM 0 HH2 TRP A 101 6.629 2.145 15.860 1.00 0.00 H new ATOM 1526 N VAL A 102 3.110 -3.021 10.615 1.00 0.00 N ATOM 1527 CA VAL A 102 3.238 -2.272 9.354 1.00 0.00 C ATOM 1528 C VAL A 102 3.148 -0.758 9.626 1.00 0.00 C ATOM 1529 O VAL A 102 2.236 -0.304 10.320 1.00 0.00 O ATOM 1530 CB VAL A 102 2.121 -2.689 8.317 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.351 -2.017 6.938 1.00 0.00 C ATOM 1532 CG2 VAL A 102 2.030 -4.225 8.186 1.00 0.00 C ATOM 0 H VAL A 102 2.146 -3.264 10.844 1.00 0.00 H new ATOM 0 HA VAL A 102 4.211 -2.512 8.924 1.00 0.00 H new ATOM 0 HB VAL A 102 1.165 -2.332 8.698 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.565 -2.325 6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.329 -0.933 7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.320 -2.320 6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.253 -4.483 7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.987 -4.618 7.844 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.785 -4.659 9.155 1.00 0.00 H new ATOM 1542 N GLN A 103 4.107 0.010 9.075 1.00 0.00 N ATOM 1543 CA GLN A 103 4.130 1.479 9.176 1.00 0.00 C ATOM 1544 C GLN A 103 4.141 2.068 7.755 1.00 0.00 C ATOM 1545 O GLN A 103 5.177 2.056 7.088 1.00 0.00 O ATOM 1546 CB GLN A 103 5.398 1.949 9.947 1.00 0.00 C ATOM 1547 CG GLN A 103 5.578 1.344 11.349 1.00 0.00 C ATOM 1548 CD GLN A 103 6.907 1.753 11.986 1.00 0.00 C ATOM 1549 OE1 GLN A 103 7.924 1.072 11.837 1.00 0.00 O ATOM 1550 NE2 GLN A 103 6.910 2.877 12.686 1.00 0.00 N ATOM 0 H GLN A 103 4.890 -0.374 8.546 1.00 0.00 H new ATOM 0 HA GLN A 103 3.249 1.821 9.719 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.277 1.707 9.349 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.365 3.035 10.040 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.756 1.664 11.990 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.527 0.257 11.284 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.050 3.416 12.789 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.772 3.204 13.122 1.00 0.00 H new ATOM 1559 N GLU A 104 2.997 2.599 7.307 1.00 0.00 N ATOM 1560 CA GLU A 104 2.876 3.217 5.979 1.00 0.00 C ATOM 1561 C GLU A 104 3.295 4.695 6.093 1.00 0.00 C ATOM 1562 O GLU A 104 2.566 5.526 6.638 1.00 0.00 O ATOM 1563 CB GLU A 104 1.416 3.076 5.455 1.00 0.00 C ATOM 1564 CG GLU A 104 1.172 3.592 4.022 1.00 0.00 C ATOM 1565 CD GLU A 104 -0.309 3.497 3.593 1.00 0.00 C ATOM 1566 OE1 GLU A 104 -0.793 2.367 3.343 1.00 0.00 O ATOM 1567 OE2 GLU A 104 -0.989 4.548 3.512 1.00 0.00 O ATOM 0 H GLU A 104 2.134 2.613 7.850 1.00 0.00 H new ATOM 0 HA GLU A 104 3.527 2.716 5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.134 2.024 5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.752 3.611 6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.499 4.630 3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.784 3.019 3.326 1.00 0.00 H new ATOM 1574 N THR A 105 4.520 4.977 5.644 1.00 0.00 N ATOM 1575 CA THR A 105 5.069 6.336 5.589 1.00 0.00 C ATOM 1576 C THR A 105 4.786 6.877 4.185 1.00 0.00 C ATOM 1577 O THR A 105 5.096 6.216 3.207 1.00 0.00 O ATOM 1578 CB THR A 105 6.618 6.345 5.850 1.00 0.00 C ATOM 1579 OG1 THR A 105 6.943 5.470 6.947 1.00 0.00 O ATOM 1580 CG2 THR A 105 7.155 7.762 6.138 1.00 0.00 C ATOM 0 H THR A 105 5.165 4.263 5.305 1.00 0.00 H new ATOM 0 HA THR A 105 4.607 6.950 6.362 1.00 0.00 H new ATOM 0 HB THR A 105 7.098 5.989 4.939 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.911 5.482 7.100 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.230 7.715 6.312 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.953 8.408 5.284 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.662 8.165 7.022 1.00 0.00 H new ATOM 1588 N PHE A 106 4.174 8.050 4.091 1.00 0.00 N ATOM 1589 CA PHE A 106 3.814 8.670 2.804 1.00 0.00 C ATOM 1590 C PHE A 106 4.032 10.177 2.888 1.00 0.00 C ATOM 1591 O PHE A 106 3.737 10.787 3.919 1.00 0.00 O ATOM 1592 CB PHE A 106 2.335 8.324 2.432 1.00 0.00 C ATOM 1593 CG PHE A 106 1.300 8.610 3.531 1.00 0.00 C ATOM 1594 CD1 PHE A 106 0.983 7.637 4.482 1.00 0.00 C ATOM 1595 CD2 PHE A 106 0.658 9.847 3.622 1.00 0.00 C ATOM 1596 CE1 PHE A 106 0.067 7.893 5.483 1.00 0.00 C ATOM 1597 CE2 PHE A 106 -0.262 10.098 4.622 1.00 0.00 C ATOM 1598 CZ PHE A 106 -0.556 9.121 5.553 1.00 0.00 C ATOM 0 H PHE A 106 3.908 8.607 4.903 1.00 0.00 H new ATOM 0 HA PHE A 106 4.453 8.274 2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.060 8.888 1.541 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.281 7.267 2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.462 6.670 4.434 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.884 10.618 2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.162 7.130 6.212 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.752 11.059 4.676 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.274 9.319 6.335 1.00 0.00 H new ATOM 1608 N ASP A 107 4.564 10.776 1.807 1.00 0.00 N ATOM 1609 CA ASP A 107 4.643 12.239 1.698 1.00 0.00 C ATOM 1610 C ASP A 107 3.240 12.738 1.343 1.00 0.00 C ATOM 1611 O ASP A 107 2.754 12.492 0.227 1.00 0.00 O ATOM 1612 CB ASP A 107 5.686 12.714 0.661 1.00 0.00 C ATOM 1613 CG ASP A 107 5.849 14.252 0.674 1.00 0.00 C ATOM 1614 OD1 ASP A 107 6.583 14.773 1.535 1.00 0.00 O ATOM 1615 OD2 ASP A 107 5.234 14.948 -0.154 1.00 0.00 O ATOM 0 H ASP A 107 4.942 10.272 1.005 1.00 0.00 H new ATOM 0 HA ASP A 107 4.981 12.654 2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.647 12.245 0.871 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.383 12.389 -0.334 1.00 0.00 H new ATOM 1620 N ALA A 108 2.593 13.403 2.308 1.00 0.00 N ATOM 1621 CA ALA A 108 1.160 13.685 2.275 1.00 0.00 C ATOM 1622 C ALA A 108 0.843 14.994 1.528 1.00 0.00 C ATOM 1623 O ALA A 108 0.279 15.939 2.098 1.00 0.00 O ATOM 1624 CB ALA A 108 0.643 13.711 3.736 1.00 0.00 C ATOM 0 H ALA A 108 3.059 13.763 3.141 1.00 0.00 H new ATOM 0 HA ALA A 108 0.647 12.902 1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.427 13.920 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.825 12.743 4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.166 14.488 4.293 1.00 0.00 H new ATOM 1630 N GLU A 109 1.188 15.029 0.230 1.00 0.00 N ATOM 1631 CA GLU A 109 0.563 15.933 -0.746 1.00 0.00 C ATOM 1632 C GLU A 109 0.304 15.184 -2.063 1.00 0.00 C ATOM 1633 O GLU A 109 1.006 15.354 -3.063 1.00 0.00 O ATOM 1634 CB GLU A 109 1.347 17.247 -0.940 1.00 0.00 C ATOM 1635 CG GLU A 109 2.840 17.085 -1.282 1.00 0.00 C ATOM 1636 CD GLU A 109 3.540 18.428 -1.516 1.00 0.00 C ATOM 1637 OE1 GLU A 109 3.563 18.897 -2.668 1.00 0.00 O ATOM 1638 OE2 GLU A 109 4.053 19.030 -0.547 1.00 0.00 O ATOM 0 H GLU A 109 1.909 14.430 -0.171 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.400 16.248 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.870 17.820 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.263 17.838 -0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 109 3.339 16.556 -0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 109 2.940 16.467 -2.174 1.00 0.00 H new ATOM 1688 N THR A 113 -5.491 18.122 2.059 1.00 0.00 N ATOM 1689 CA THR A 113 -4.675 18.625 3.191 1.00 0.00 C ATOM 1690 C THR A 113 -3.981 17.429 3.916 1.00 0.00 C ATOM 1691 O THR A 113 -4.610 16.379 4.054 1.00 0.00 O ATOM 1692 CB THR A 113 -5.545 19.427 4.220 1.00 0.00 C ATOM 1693 OG1 THR A 113 -6.634 18.619 4.688 1.00 0.00 O ATOM 1694 CG2 THR A 113 -6.098 20.729 3.622 1.00 0.00 C ATOM 0 HA THR A 113 -3.923 19.301 2.784 1.00 0.00 H new ATOM 0 HB THR A 113 -4.892 19.690 5.052 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.168 19.131 5.331 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.694 21.250 4.372 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.271 21.366 3.310 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.723 20.497 2.760 1.00 0.00 H new ATOM 1702 N PRO A 114 -2.677 17.562 4.352 1.00 0.00 N ATOM 1703 CA PRO A 114 -1.885 16.445 4.948 1.00 0.00 C ATOM 1704 C PRO A 114 -2.629 15.661 6.060 1.00 0.00 C ATOM 1705 O PRO A 114 -2.642 14.429 6.024 1.00 0.00 O ATOM 1706 CB PRO A 114 -0.589 17.131 5.482 1.00 0.00 C ATOM 1707 CG PRO A 114 -0.829 18.614 5.355 1.00 0.00 C ATOM 1708 CD PRO A 114 -1.846 18.789 4.249 1.00 0.00 C ATOM 0 HA PRO A 114 -1.682 15.675 4.203 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -0.398 16.853 6.518 1.00 0.00 H new ATOM 0 HB3 PRO A 114 0.283 16.825 4.904 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -1.199 19.029 6.292 1.00 0.00 H new ATOM 0 HG3 PRO A 114 0.097 19.138 5.118 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.442 19.691 4.389 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -1.368 18.871 3.273 1.00 0.00 H new ATOM 1716 N ALA A 115 -3.237 16.382 7.025 1.00 0.00 N ATOM 1717 CA ALA A 115 -4.068 15.777 8.099 1.00 0.00 C ATOM 1718 C ALA A 115 -5.202 14.883 7.537 1.00 0.00 C ATOM 1719 O ALA A 115 -5.387 13.738 7.978 1.00 0.00 O ATOM 1720 CB ALA A 115 -4.663 16.883 8.980 1.00 0.00 C ATOM 0 H ALA A 115 -3.169 17.398 7.086 1.00 0.00 H new ATOM 0 HA ALA A 115 -3.416 15.136 8.693 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.271 16.435 9.766 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -3.857 17.462 9.431 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -5.284 17.539 8.370 1.00 0.00 H new ATOM 1726 N GLN A 116 -5.939 15.422 6.546 1.00 0.00 N ATOM 1727 CA GLN A 116 -7.018 14.696 5.847 1.00 0.00 C ATOM 1728 C GLN A 116 -6.469 13.441 5.121 1.00 0.00 C ATOM 1729 O GLN A 116 -7.171 12.436 4.979 1.00 0.00 O ATOM 1730 CB GLN A 116 -7.729 15.654 4.855 1.00 0.00 C ATOM 1731 CG GLN A 116 -9.006 15.101 4.190 1.00 0.00 C ATOM 1732 CD GLN A 116 -10.092 14.699 5.196 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -10.168 13.544 5.626 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -10.913 15.652 5.608 1.00 0.00 N ATOM 0 H GLN A 116 -5.803 16.374 6.207 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.744 14.349 6.582 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.986 16.571 5.385 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -7.022 15.926 4.071 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -9.409 15.854 3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -8.744 14.234 3.583 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -10.826 16.597 5.234 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -11.633 15.441 6.299 1.00 0.00 H new ATOM 1743 N GLN A 117 -5.185 13.508 4.702 1.00 0.00 N ATOM 1744 CA GLN A 117 -4.500 12.376 4.041 1.00 0.00 C ATOM 1745 C GLN A 117 -4.090 11.306 5.045 1.00 0.00 C ATOM 1746 O GLN A 117 -4.051 10.136 4.700 1.00 0.00 O ATOM 1747 CB GLN A 117 -3.257 12.828 3.246 1.00 0.00 C ATOM 1748 CG GLN A 117 -3.544 13.875 2.178 1.00 0.00 C ATOM 1749 CD GLN A 117 -2.517 13.897 1.058 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -1.950 12.879 0.666 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -2.236 15.065 0.566 1.00 0.00 N ATOM 0 H GLN A 117 -4.601 14.337 4.811 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.223 11.955 3.342 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.520 13.229 3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.806 11.956 2.772 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -4.530 13.687 1.752 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.581 14.859 2.646 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.722 15.893 0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -1.529 15.154 -0.164 1.00 0.00 H new ATOM 1760 N GLN A 118 -3.770 11.709 6.288 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.500 10.744 7.362 1.00 0.00 C ATOM 1762 C GLN A 118 -4.737 9.856 7.574 1.00 0.00 C ATOM 1763 O GLN A 118 -4.620 8.639 7.674 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.099 11.459 8.678 1.00 0.00 C ATOM 1765 CG GLN A 118 -2.806 10.491 9.840 1.00 0.00 C ATOM 1766 CD GLN A 118 -2.416 11.182 11.140 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -1.239 11.438 11.391 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -3.394 11.490 11.969 1.00 0.00 N ATOM 0 H GLN A 118 -3.693 12.687 6.569 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.657 10.119 7.067 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.216 12.071 8.495 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.901 12.136 8.973 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.688 9.876 10.018 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -2.002 9.817 9.544 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -4.358 11.262 11.727 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -3.186 11.956 12.852 1.00 0.00 H new ATOM 1777 N ALA A 119 -5.915 10.507 7.557 1.00 0.00 N ATOM 1778 CA ALA A 119 -7.220 9.839 7.687 1.00 0.00 C ATOM 1779 C ALA A 119 -7.571 9.016 6.425 1.00 0.00 C ATOM 1780 O ALA A 119 -8.087 7.900 6.537 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.303 10.889 7.966 1.00 0.00 C ATOM 0 H ALA A 119 -5.987 11.519 7.452 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.167 9.139 8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.271 10.397 8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.070 11.415 8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.339 11.602 7.142 1.00 0.00 H new ATOM 1787 N GLY A 120 -7.254 9.568 5.232 1.00 0.00 N ATOM 1788 CA GLY A 120 -7.626 8.951 3.945 1.00 0.00 C ATOM 1789 C GLY A 120 -6.787 7.730 3.596 1.00 0.00 C ATOM 1790 O GLY A 120 -7.328 6.671 3.249 1.00 0.00 O ATOM 0 H GLY A 120 -6.739 10.443 5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.677 8.663 3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.524 9.692 3.152 1.00 0.00 H new ATOM 1794 N TRP A 121 -5.457 7.890 3.684 1.00 0.00 N ATOM 1795 CA TRP A 121 -4.492 6.785 3.520 1.00 0.00 C ATOM 1796 C TRP A 121 -4.621 5.755 4.641 1.00 0.00 C ATOM 1797 O TRP A 121 -4.264 4.584 4.447 1.00 0.00 O ATOM 1798 CB TRP A 121 -3.039 7.313 3.439 1.00 0.00 C ATOM 1799 CG TRP A 121 -2.761 8.068 2.164 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -2.676 9.418 1.988 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -2.556 7.489 0.874 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -2.461 9.713 0.670 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -2.374 8.546 -0.032 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -2.512 6.174 0.402 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -2.157 8.331 -1.384 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 -2.292 5.962 -0.940 1.00 0.00 C ATOM 1807 CH2 TRP A 121 -2.118 7.036 -1.819 1.00 0.00 C ATOM 0 H TRP A 121 -5.017 8.791 3.871 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.730 6.291 2.578 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.846 7.965 4.291 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -2.348 6.474 3.517 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -2.766 10.150 2.777 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -2.379 10.651 0.277 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -2.648 5.342 1.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -2.024 9.156 -2.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -2.253 4.952 -1.320 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -1.949 6.837 -2.867 1.00 0.00 H new ATOM 1818 N GLN A 122 -5.135 6.188 5.817 1.00 0.00 N ATOM 1819 CA GLN A 122 -5.514 5.253 6.880 1.00 0.00 C ATOM 1820 C GLN A 122 -6.596 4.291 6.384 1.00 0.00 C ATOM 1821 O GLN A 122 -6.591 3.138 6.763 1.00 0.00 O ATOM 1822 CB GLN A 122 -5.999 5.966 8.165 1.00 0.00 C ATOM 1823 CG GLN A 122 -6.176 5.025 9.370 1.00 0.00 C ATOM 1824 CD GLN A 122 -4.865 4.334 9.750 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -4.107 4.821 10.584 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -4.574 3.206 9.123 1.00 0.00 N ATOM 0 H GLN A 122 -5.292 7.170 6.043 1.00 0.00 H new ATOM 0 HA GLN A 122 -4.613 4.697 7.139 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.285 6.746 8.428 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -6.949 6.459 7.959 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -6.548 5.593 10.223 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.929 4.272 9.136 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -5.222 2.823 8.434 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -3.702 2.719 9.328 1.00 0.00 H new ATOM 1835 N GLY A 123 -7.490 4.788 5.510 1.00 0.00 N ATOM 1836 CA GLY A 123 -8.504 3.952 4.872 1.00 0.00 C ATOM 1837 C GLY A 123 -7.910 2.817 4.038 1.00 0.00 C ATOM 1838 O GLY A 123 -8.443 1.714 4.038 1.00 0.00 O ATOM 0 H GLY A 123 -7.524 5.769 5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.153 3.530 5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.130 4.575 4.233 1.00 0.00 H new ATOM 1842 N ILE A 124 -6.783 3.099 3.349 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.065 2.118 2.513 1.00 0.00 C ATOM 1844 C ILE A 124 -5.378 1.039 3.378 1.00 0.00 C ATOM 1845 O ILE A 124 -5.593 -0.162 3.152 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.001 2.842 1.601 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -5.685 3.939 0.722 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -4.204 1.849 0.721 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -6.750 3.431 -0.243 1.00 0.00 C ATOM 0 H ILE A 124 -6.345 4.020 3.359 1.00 0.00 H new ATOM 0 HA ILE A 124 -6.799 1.625 1.876 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.283 3.322 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.139 4.679 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -4.914 4.454 0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.485 2.398 0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -3.674 1.142 1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -4.891 1.307 0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -7.162 4.269 -0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -6.304 2.716 -0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -7.547 2.944 0.319 1.00 0.00 H new ATOM 1861 N LEU A 125 -4.579 1.475 4.383 1.00 0.00 N ATOM 1862 CA LEU A 125 -3.825 0.554 5.263 1.00 0.00 C ATOM 1863 C LEU A 125 -4.784 -0.261 6.165 1.00 0.00 C ATOM 1864 O LEU A 125 -4.516 -1.433 6.472 1.00 0.00 O ATOM 1865 CB LEU A 125 -2.797 1.330 6.136 1.00 0.00 C ATOM 1866 CG LEU A 125 -1.781 0.440 6.930 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -0.875 -0.363 5.971 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -0.950 1.266 7.938 1.00 0.00 C ATOM 0 H LEU A 125 -4.441 2.461 4.603 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.279 -0.139 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.235 2.006 5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.344 1.949 6.847 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.364 -0.274 7.512 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.180 -0.971 6.550 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.490 -1.010 5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.314 0.325 5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.259 0.608 8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.386 2.031 7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.618 1.742 8.656 1.00 0.00 H new ATOM 1880 N ASP A 126 -5.884 0.391 6.607 1.00 0.00 N ATOM 1881 CA ASP A 126 -6.988 -0.267 7.346 1.00 0.00 C ATOM 1882 C ASP A 126 -7.596 -1.374 6.488 1.00 0.00 C ATOM 1883 O ASP A 126 -7.590 -2.525 6.897 1.00 0.00 O ATOM 1884 CB ASP A 126 -8.088 0.758 7.765 1.00 0.00 C ATOM 1885 CG ASP A 126 -9.269 0.138 8.548 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -10.260 -0.306 7.926 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -9.218 0.102 9.798 1.00 0.00 O ATOM 0 H ASP A 126 -6.032 1.390 6.461 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.576 -0.699 8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -7.630 1.535 8.376 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.476 1.244 6.870 1.00 0.00 H new ATOM 1892 N ASN A 127 -8.039 -1.007 5.261 1.00 0.00 N ATOM 1893 CA ASN A 127 -8.718 -1.931 4.322 1.00 0.00 C ATOM 1894 C ASN A 127 -7.818 -3.138 3.982 1.00 0.00 C ATOM 1895 O ASN A 127 -8.300 -4.263 3.793 1.00 0.00 O ATOM 1896 CB ASN A 127 -9.089 -1.172 3.023 1.00 0.00 C ATOM 1897 CG ASN A 127 -9.989 -1.954 2.065 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -9.827 -1.879 0.847 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -10.986 -2.656 2.593 1.00 0.00 N ATOM 0 H ASN A 127 -7.935 -0.061 4.895 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.623 -2.305 4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -9.588 -0.241 3.292 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -8.171 -0.902 2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -11.640 -3.149 1.985 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -11.097 -2.701 3.606 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.504 -2.857 3.928 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.449 -3.857 3.753 1.00 0.00 C ATOM 1908 C PHE A 128 -5.433 -4.847 4.933 1.00 0.00 C ATOM 1909 O PHE A 128 -5.589 -6.047 4.726 1.00 0.00 O ATOM 1910 CB PHE A 128 -4.078 -3.132 3.608 1.00 0.00 C ATOM 1911 CG PHE A 128 -2.852 -4.032 3.691 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -2.670 -5.072 2.782 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -1.886 -3.842 4.685 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -1.568 -5.888 2.866 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -0.781 -4.663 4.760 1.00 0.00 C ATOM 1916 CZ PHE A 128 -0.624 -5.686 3.853 1.00 0.00 C ATOM 0 H PHE A 128 -6.144 -1.906 4.007 1.00 0.00 H new ATOM 0 HA PHE A 128 -5.643 -4.434 2.849 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.061 -2.611 2.651 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -4.004 -2.372 4.386 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -3.401 -5.238 2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.007 -3.043 5.402 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.439 -6.692 2.156 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.040 -4.504 5.529 1.00 0.00 H new ATOM 0 HZ PHE A 128 0.239 -6.332 3.913 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.280 -4.311 6.160 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.208 -5.102 7.407 1.00 0.00 C ATOM 1928 C LYS A 129 -6.449 -6.000 7.589 1.00 0.00 C ATOM 1929 O LYS A 129 -6.321 -7.196 7.911 1.00 0.00 O ATOM 1930 CB LYS A 129 -5.069 -4.142 8.619 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.080 -4.845 9.995 1.00 0.00 C ATOM 1932 CD LYS A 129 -5.114 -3.863 11.187 1.00 0.00 C ATOM 1933 CE LYS A 129 -5.147 -4.597 12.533 1.00 0.00 C ATOM 1934 NZ LYS A 129 -5.324 -3.664 13.670 1.00 0.00 N ATOM 0 H LYS A 129 -5.202 -3.306 6.316 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.337 -5.754 7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.139 -3.582 8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -5.883 -3.418 8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.947 -5.503 10.051 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -4.195 -5.476 10.079 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -4.238 -3.215 11.148 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -5.990 -3.220 11.103 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -5.960 -5.323 12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -4.221 -5.156 12.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -5.341 -4.201 14.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -4.535 -2.987 13.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -6.220 -3.148 13.560 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.637 -5.399 7.354 1.00 0.00 N ATOM 1949 CA ARG A 130 -8.928 -6.092 7.455 1.00 0.00 C ATOM 1950 C ARG A 130 -8.973 -7.268 6.472 1.00 0.00 C ATOM 1951 O ARG A 130 -9.431 -8.343 6.825 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.115 -5.126 7.173 1.00 0.00 C ATOM 1953 CG ARG A 130 -10.148 -3.845 8.034 1.00 0.00 C ATOM 1954 CD ARG A 130 -10.175 -4.108 9.545 1.00 0.00 C ATOM 1955 NE ARG A 130 -9.925 -2.883 10.319 1.00 0.00 N ATOM 1956 CZ ARG A 130 -9.489 -2.845 11.589 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -9.245 -3.968 12.272 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -9.285 -1.669 12.162 1.00 0.00 N ATOM 0 H ARG A 130 -7.721 -4.418 7.089 1.00 0.00 H new ATOM 0 HA ARG A 130 -9.027 -6.465 8.474 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.083 -4.836 6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -11.047 -5.670 7.326 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -9.274 -3.238 7.797 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -11.026 -3.259 7.762 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -11.144 -4.523 9.824 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -9.424 -4.856 9.797 1.00 0.00 H new ATOM 0 HE ARG A 130 -10.096 -1.991 9.855 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -9.389 -4.876 11.830 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -8.914 -3.917 13.236 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -9.459 -0.810 11.640 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -8.954 -1.622 13.126 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.452 -7.036 5.245 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.353 -8.071 4.209 1.00 0.00 C ATOM 1974 C TYR A 131 -7.483 -9.261 4.668 1.00 0.00 C ATOM 1975 O TYR A 131 -7.928 -10.409 4.574 1.00 0.00 O ATOM 1976 CB TYR A 131 -7.814 -7.475 2.868 1.00 0.00 C ATOM 1977 CG TYR A 131 -7.356 -8.542 1.865 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -8.271 -9.421 1.284 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -6.004 -8.714 1.552 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -7.855 -10.425 0.439 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -5.592 -9.711 0.696 1.00 0.00 C ATOM 1982 CZ TYR A 131 -6.518 -10.563 0.148 1.00 0.00 C ATOM 1983 OH TYR A 131 -6.105 -11.573 -0.692 1.00 0.00 O ATOM 0 H TYR A 131 -8.092 -6.127 4.953 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.360 -8.449 4.035 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -8.595 -6.868 2.410 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -6.979 -6.809 3.085 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -9.323 -9.312 1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.270 -8.053 1.989 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -8.576 -11.102 0.006 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -4.545 -9.822 0.457 1.00 0.00 H new ATOM 0 HH TYR A 131 -5.244 -11.924 -0.383 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.258 -8.975 5.162 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.263 -10.024 5.501 1.00 0.00 C ATOM 1995 C VAL A 132 -5.811 -10.970 6.591 1.00 0.00 C ATOM 1996 O VAL A 132 -5.659 -12.194 6.507 1.00 0.00 O ATOM 1997 CB VAL A 132 -3.886 -9.416 5.986 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -2.802 -10.511 6.128 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.392 -8.292 5.056 1.00 0.00 C ATOM 0 H VAL A 132 -5.931 -8.025 5.336 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.082 -10.583 4.583 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.067 -8.981 6.969 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.869 -10.058 6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.127 -11.253 6.857 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.645 -10.995 5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.444 -7.903 5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.254 -8.687 4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.129 -7.489 5.033 1.00 0.00 H new ATOM 2009 N GLU A 133 -6.475 -10.375 7.591 1.00 0.00 N ATOM 2010 CA GLU A 133 -6.979 -11.105 8.765 1.00 0.00 C ATOM 2011 C GLU A 133 -8.384 -11.709 8.528 1.00 0.00 C ATOM 2012 O GLU A 133 -8.727 -12.709 9.163 1.00 0.00 O ATOM 2013 CB GLU A 133 -6.957 -10.181 10.008 1.00 0.00 C ATOM 2014 CG GLU A 133 -5.548 -9.665 10.369 1.00 0.00 C ATOM 2015 CD GLU A 133 -5.483 -8.930 11.716 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -5.857 -7.750 11.779 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -5.065 -9.530 12.725 1.00 0.00 O ATOM 0 H GLU A 133 -6.678 -9.376 7.610 1.00 0.00 H new ATOM 0 HA GLU A 133 -6.315 -11.951 8.944 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -7.612 -9.329 9.828 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -7.366 -10.723 10.861 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -4.857 -10.508 10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -5.205 -8.993 9.582 1.00 0.00 H new ATOM 2024 N ALA A 134 -9.191 -11.122 7.615 1.00 0.00 N ATOM 2025 CA ALA A 134 -10.548 -11.652 7.292 1.00 0.00 C ATOM 2026 C ALA A 134 -10.420 -12.857 6.357 1.00 0.00 C ATOM 2027 O ALA A 134 -11.202 -13.812 6.444 1.00 0.00 O ATOM 2028 CB ALA A 134 -11.446 -10.574 6.658 1.00 0.00 C ATOM 0 H ALA A 134 -8.934 -10.287 7.089 1.00 0.00 H new ATOM 0 HA ALA A 134 -11.022 -11.962 8.224 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -12.425 -11.000 6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -11.560 -9.741 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -10.989 -10.217 5.735 1.00 0.00 H new ATOM 2034 N ALA A 135 -9.427 -12.784 5.454 1.00 0.00 N ATOM 2035 CA ALA A 135 -9.036 -13.906 4.594 1.00 0.00 C ATOM 2036 C ALA A 135 -8.420 -14.998 5.471 1.00 0.00 C ATOM 2037 O ALA A 135 -8.892 -16.144 5.479 1.00 0.00 O ATOM 2038 CB ALA A 135 -8.037 -13.436 3.515 1.00 0.00 C ATOM 0 H ALA A 135 -8.873 -11.941 5.302 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.911 -14.303 4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.757 -14.281 2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.501 -12.664 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.146 -13.031 3.995 1.00 0.00 H new ATOM 2044 N GLY A 136 -7.393 -14.586 6.249 1.00 0.00 N ATOM 2045 CA GLY A 136 -6.672 -15.473 7.159 1.00 0.00 C ATOM 2046 C GLY A 136 -5.925 -16.555 6.413 1.00 0.00 C ATOM 2047 O GLY A 136 -6.498 -17.606 6.113 1.00 0.00 O ATOM 0 H GLY A 136 -7.049 -13.626 6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -5.969 -14.890 7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -7.376 -15.930 7.855 1.00 0.00 H new ATOM 2051 N LEU A 137 -4.645 -16.309 6.109 1.00 0.00 N ATOM 2052 CA LEU A 137 -3.855 -17.163 5.225 1.00 0.00 C ATOM 2053 C LEU A 137 -3.331 -18.380 6.022 1.00 0.00 C ATOM 2054 O LEU A 137 -4.069 -18.944 6.845 1.00 0.00 O ATOM 2055 CB LEU A 137 -2.719 -16.315 4.560 1.00 0.00 C ATOM 2056 CG LEU A 137 -3.161 -15.084 3.683 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -4.303 -15.453 2.722 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -3.523 -13.841 4.535 1.00 0.00 C ATOM 0 H LEU A 137 -4.129 -15.508 6.473 1.00 0.00 H new ATOM 0 HA LEU A 137 -4.466 -17.558 4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.064 -15.949 5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.123 -16.980 3.934 1.00 0.00 H new ATOM 0 HG LEU A 137 -2.294 -14.810 3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -4.581 -14.578 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -3.974 -16.249 2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -5.165 -15.793 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -3.820 -13.024 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -4.347 -14.086 5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -2.656 -13.538 5.122 1.00 0.00 H new