USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 850 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 16 LYS NZ :NH3+ -164:sc= 0.927 (180deg=-0.519) USER MOD Set 1.2: A 82 ASN : amide:sc= -0.201! K(o=0.73!,f=-5) USER MOD Set 2.1: A 22 ASN : amide:sc= 1.07 K(o=2,f=-4.9!) USER MOD Set 2.2: A 25 THR OG1 : rot -89:sc= 0.925 USER MOD Set 3.1: A 9 CYS SG : rot -45:sc= 1.24 USER MOD Set 3.2: A 10 GLN : amide:sc= -0.0216 K(o=1.2,f=0.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= 1.39 (180deg=0.402) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -81:sc= -1.09 USER MOD Single : A 5 SER OG : rot -111:sc= 0.249 USER MOD Single : A 6 THR OG1 : rot -21:sc= 1.25 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -1.53! USER MOD Single : A 39 MET CE :methyl 163:sc= -0.196 (180deg=-0.854) USER MOD Single : A 45 SER OG : rot 180:sc= -0.168 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 57:sc= -0.947 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -68:sc= 1.49 USER MOD Single : A 62 MET CE :methyl -161:sc= -0.106 (180deg=-0.668) USER MOD Single : A 68 GLN : amide:sc= -2.71! C(o=-2.7!,f=-5.3!) USER MOD Single : A 70 GLN : amide:sc= -5.61! K(o=-5.6!,f=-0.74) USER MOD Single : A 75 GLN : amide:sc= -0.115 K(o=-0.12,f=-0.78) USER MOD Single : A 76 ASN : amide:sc= -1 K(o=-1,f=-0.005) USER MOD Single : A 78 ASN : amide:sc= 0.819 K(o=0.82,f=-0.086) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 1.18 K(o=1.2,f=-8.9!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.077 1.502 1.371 1.00 0.00 N ATOM 2 CA MET A 1 2.610 1.974 0.076 1.00 0.00 C ATOM 3 C MET A 1 1.476 2.383 -0.849 1.00 0.00 C ATOM 4 O MET A 1 0.995 1.582 -1.652 1.00 0.00 O ATOM 5 CB MET A 1 3.457 0.895 -0.610 1.00 0.00 C ATOM 6 CG MET A 1 4.728 0.523 0.135 1.00 0.00 C ATOM 7 SD MET A 1 4.414 -0.459 1.613 1.00 0.00 S ATOM 8 CE MET A 1 6.091 -0.742 2.175 1.00 0.00 C ATOM 0 H1 MET A 1 2.579 0.638 1.659 1.00 0.00 H new ATOM 0 H2 MET A 1 2.215 2.238 2.092 1.00 0.00 H new ATOM 0 H3 MET A 1 1.062 1.297 1.275 1.00 0.00 H new ATOM 0 HA MET A 1 3.244 2.836 0.282 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.849 -0.001 -0.735 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.724 1.241 -1.608 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.384 -0.035 -0.533 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.258 1.433 0.416 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.073 -1.339 3.087 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.648 -1.274 1.404 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.573 0.214 2.377 1.00 0.00 H new ATOM 18 N SER A 2 1.031 3.619 -0.712 1.00 0.00 N ATOM 19 CA SER A 2 0.022 4.166 -1.599 1.00 0.00 C ATOM 20 C SER A 2 0.681 5.097 -2.609 1.00 0.00 C ATOM 21 O SER A 2 1.876 5.382 -2.506 1.00 0.00 O ATOM 22 CB SER A 2 -1.044 4.914 -0.796 1.00 0.00 C ATOM 23 OG SER A 2 -1.683 4.049 0.130 1.00 0.00 O ATOM 0 H SER A 2 1.354 4.265 0.008 1.00 0.00 H new ATOM 0 HA SER A 2 -0.465 3.350 -2.133 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.585 5.747 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.785 5.338 -1.474 1.00 0.00 H new ATOM 0 HG SER A 2 -2.359 4.550 0.633 1.00 0.00 H new ATOM 29 N ILE A 3 -0.088 5.558 -3.583 1.00 0.00 N ATOM 30 CA ILE A 3 0.434 6.469 -4.588 1.00 0.00 C ATOM 31 C ILE A 3 0.742 7.815 -3.949 1.00 0.00 C ATOM 32 O ILE A 3 -0.056 8.341 -3.171 1.00 0.00 O ATOM 33 CB ILE A 3 -0.560 6.664 -5.755 1.00 0.00 C ATOM 34 CG1 ILE A 3 -0.991 5.305 -6.323 1.00 0.00 C ATOM 35 CG2 ILE A 3 0.056 7.531 -6.850 1.00 0.00 C ATOM 36 CD1 ILE A 3 0.161 4.451 -6.814 1.00 0.00 C ATOM 0 H ILE A 3 -1.072 5.317 -3.698 1.00 0.00 H new ATOM 0 HA ILE A 3 1.346 6.031 -4.994 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.443 7.176 -5.372 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.535 4.757 -5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.685 5.470 -7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.661 7.655 -7.662 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.313 8.508 -6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.957 7.050 -7.232 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.224 3.507 -7.200 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.692 4.978 -7.607 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.845 4.253 -5.989 1.00 0.00 H new ATOM 48 N THR A 4 1.897 8.365 -4.271 1.00 0.00 N ATOM 49 CA THR A 4 2.340 9.602 -3.665 1.00 0.00 C ATOM 50 C THR A 4 1.890 10.799 -4.492 1.00 0.00 C ATOM 51 O THR A 4 1.339 10.638 -5.583 1.00 0.00 O ATOM 52 CB THR A 4 3.873 9.614 -3.528 1.00 0.00 C ATOM 53 OG1 THR A 4 4.477 9.408 -4.813 1.00 0.00 O ATOM 54 CG2 THR A 4 4.334 8.526 -2.569 1.00 0.00 C ATOM 0 H THR A 4 2.547 7.971 -4.952 1.00 0.00 H new ATOM 0 HA THR A 4 1.892 9.671 -2.674 1.00 0.00 H new ATOM 0 HB THR A 4 4.177 10.583 -3.132 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.480 8.451 -5.024 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.421 8.551 -2.486 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.891 8.694 -1.587 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.021 7.552 -2.946 1.00 0.00 H new ATOM 62 N SER A 5 2.115 11.991 -3.967 1.00 0.00 N ATOM 63 CA SER A 5 1.751 13.214 -4.661 1.00 0.00 C ATOM 64 C SER A 5 2.733 13.483 -5.804 1.00 0.00 C ATOM 65 O SER A 5 3.581 12.641 -6.117 1.00 0.00 O ATOM 66 CB SER A 5 1.726 14.388 -3.672 1.00 0.00 C ATOM 67 OG SER A 5 1.199 15.563 -4.269 1.00 0.00 O ATOM 0 H SER A 5 2.551 12.138 -3.057 1.00 0.00 H new ATOM 0 HA SER A 5 0.754 13.102 -5.088 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.125 14.120 -2.803 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.736 14.583 -3.313 1.00 0.00 H new ATOM 0 HG SER A 5 1.913 16.226 -4.371 1.00 0.00 H new ATOM 73 N THR A 6 2.614 14.656 -6.414 1.00 0.00 N ATOM 74 CA THR A 6 3.439 15.050 -7.554 1.00 0.00 C ATOM 75 C THR A 6 4.940 14.930 -7.245 1.00 0.00 C ATOM 76 O THR A 6 5.761 14.805 -8.156 1.00 0.00 O ATOM 77 CB THR A 6 3.100 16.486 -7.993 1.00 0.00 C ATOM 78 OG1 THR A 6 1.676 16.625 -8.118 1.00 0.00 O ATOM 79 CG2 THR A 6 3.757 16.821 -9.326 1.00 0.00 C ATOM 0 H THR A 6 1.939 15.366 -6.131 1.00 0.00 H new ATOM 0 HA THR A 6 3.214 14.364 -8.370 1.00 0.00 H new ATOM 0 HB THR A 6 3.480 17.174 -7.237 1.00 0.00 H new ATOM 0 HG1 THR A 6 1.270 15.740 -8.232 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.501 17.841 -9.612 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.839 16.732 -9.231 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.402 16.130 -10.090 1.00 0.00 H new ATOM 87 N ASP A 7 5.282 14.952 -5.954 1.00 0.00 N ATOM 88 CA ASP A 7 6.668 14.782 -5.490 1.00 0.00 C ATOM 89 C ASP A 7 7.307 13.525 -6.078 1.00 0.00 C ATOM 90 O ASP A 7 8.530 13.393 -6.096 1.00 0.00 O ATOM 91 CB ASP A 7 6.725 14.684 -3.964 1.00 0.00 C ATOM 92 CG ASP A 7 6.075 15.857 -3.272 1.00 0.00 C ATOM 93 OD1 ASP A 7 6.717 16.918 -3.158 1.00 0.00 O ATOM 94 OD2 ASP A 7 4.911 15.719 -2.842 1.00 0.00 O ATOM 0 H ASP A 7 4.609 15.088 -5.199 1.00 0.00 H new ATOM 0 HA ASP A 7 7.221 15.659 -5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.234 13.764 -3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.766 14.615 -3.649 1.00 0.00 H new ATOM 99 N ILE A 8 6.468 12.604 -6.538 1.00 0.00 N ATOM 100 CA ILE A 8 6.918 11.365 -7.158 1.00 0.00 C ATOM 101 C ILE A 8 7.915 11.630 -8.296 1.00 0.00 C ATOM 102 O ILE A 8 8.856 10.861 -8.493 1.00 0.00 O ATOM 103 CB ILE A 8 5.705 10.560 -7.689 1.00 0.00 C ATOM 104 CG1 ILE A 8 6.145 9.228 -8.295 1.00 0.00 C ATOM 105 CG2 ILE A 8 4.916 11.374 -8.710 1.00 0.00 C ATOM 106 CD1 ILE A 8 4.984 8.357 -8.722 1.00 0.00 C ATOM 0 H ILE A 8 5.453 12.697 -6.491 1.00 0.00 H new ATOM 0 HA ILE A 8 7.432 10.781 -6.395 1.00 0.00 H new ATOM 0 HB ILE A 8 5.055 10.347 -6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.783 9.421 -9.158 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.749 8.686 -7.567 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.070 10.787 -9.068 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.552 12.289 -8.243 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.562 11.628 -9.550 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.363 7.426 -9.144 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.358 8.135 -7.857 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.393 8.881 -9.473 1.00 0.00 H new ATOM 118 N CYS A 9 7.726 12.731 -9.023 1.00 0.00 N ATOM 119 CA CYS A 9 8.616 13.071 -10.128 1.00 0.00 C ATOM 120 C CYS A 9 9.954 13.595 -9.610 1.00 0.00 C ATOM 121 O CYS A 9 10.988 13.417 -10.246 1.00 0.00 O ATOM 122 CB CYS A 9 7.964 14.107 -11.051 1.00 0.00 C ATOM 123 SG CYS A 9 7.586 15.690 -10.260 1.00 0.00 S ATOM 0 H CYS A 9 6.970 13.397 -8.867 1.00 0.00 H new ATOM 0 HA CYS A 9 8.800 12.162 -10.700 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.627 14.288 -11.897 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.042 13.687 -11.452 1.00 0.00 H new ATOM 0 HG CYS A 9 7.033 15.476 -9.103 1.00 0.00 H new ATOM 129 N GLN A 10 9.927 14.216 -8.436 1.00 0.00 N ATOM 130 CA GLN A 10 11.126 14.807 -7.849 1.00 0.00 C ATOM 131 C GLN A 10 12.100 13.720 -7.408 1.00 0.00 C ATOM 132 O GLN A 10 13.316 13.880 -7.499 1.00 0.00 O ATOM 133 CB GLN A 10 10.754 15.686 -6.652 1.00 0.00 C ATOM 134 CG GLN A 10 9.759 16.788 -6.983 1.00 0.00 C ATOM 135 CD GLN A 10 10.301 17.792 -7.983 1.00 0.00 C ATOM 136 OE1 GLN A 10 11.503 18.056 -8.030 1.00 0.00 O ATOM 137 NE2 GLN A 10 9.419 18.364 -8.781 1.00 0.00 N ATOM 0 H GLN A 10 9.085 14.324 -7.870 1.00 0.00 H new ATOM 0 HA GLN A 10 11.608 15.423 -8.608 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.336 15.056 -5.867 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.661 16.137 -6.249 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.849 16.341 -7.382 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.483 17.309 -6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.432 18.117 -8.710 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.725 19.053 -9.469 1.00 0.00 H new ATOM 146 N ALA A 11 11.551 12.605 -6.943 1.00 0.00 N ATOM 147 CA ALA A 11 12.361 11.496 -6.456 1.00 0.00 C ATOM 148 C ALA A 11 13.091 10.794 -7.599 1.00 0.00 C ATOM 149 O ALA A 11 14.032 10.035 -7.374 1.00 0.00 O ATOM 150 CB ALA A 11 11.492 10.511 -5.693 1.00 0.00 C ATOM 0 H ALA A 11 10.545 12.445 -6.893 1.00 0.00 H new ATOM 0 HA ALA A 11 13.116 11.899 -5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.107 9.686 -5.333 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.029 11.015 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.715 10.124 -6.353 1.00 0.00 H new ATOM 156 N ALA A 12 12.653 11.054 -8.826 1.00 0.00 N ATOM 157 CA ALA A 12 13.266 10.460 -10.008 1.00 0.00 C ATOM 158 C ALA A 12 14.647 11.056 -10.275 1.00 0.00 C ATOM 159 O ALA A 12 15.460 10.475 -10.999 1.00 0.00 O ATOM 160 CB ALA A 12 12.364 10.652 -11.216 1.00 0.00 C ATOM 0 H ALA A 12 11.871 11.676 -9.028 1.00 0.00 H new ATOM 0 HA ALA A 12 13.393 9.393 -9.824 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.831 10.205 -12.094 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.403 10.172 -11.032 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.210 11.717 -11.390 1.00 0.00 H new ATOM 166 N ASP A 13 14.917 12.210 -9.677 1.00 0.00 N ATOM 167 CA ASP A 13 16.206 12.873 -9.848 1.00 0.00 C ATOM 168 C ASP A 13 17.246 12.297 -8.891 1.00 0.00 C ATOM 169 O ASP A 13 18.423 12.647 -8.954 1.00 0.00 O ATOM 170 CB ASP A 13 16.086 14.385 -9.628 1.00 0.00 C ATOM 171 CG ASP A 13 15.270 15.085 -10.700 1.00 0.00 C ATOM 172 OD1 ASP A 13 15.241 14.601 -11.852 1.00 0.00 O ATOM 173 OD2 ASP A 13 14.662 16.137 -10.393 1.00 0.00 O ATOM 0 H ASP A 13 14.263 12.706 -9.071 1.00 0.00 H new ATOM 0 HA ASP A 13 16.529 12.694 -10.873 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.629 14.568 -8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 13 17.084 14.821 -9.598 1.00 0.00 H new ATOM 178 N ALA A 14 16.807 11.403 -8.010 1.00 0.00 N ATOM 179 CA ALA A 14 17.698 10.788 -7.033 1.00 0.00 C ATOM 180 C ALA A 14 18.393 9.562 -7.620 1.00 0.00 C ATOM 181 O ALA A 14 19.227 8.932 -6.967 1.00 0.00 O ATOM 182 CB ALA A 14 16.926 10.409 -5.777 1.00 0.00 C ATOM 0 H ALA A 14 15.838 11.088 -7.953 1.00 0.00 H new ATOM 0 HA ALA A 14 18.464 11.517 -6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.604 9.951 -5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.482 11.303 -5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 14 16.138 9.701 -6.034 1.00 0.00 H new ATOM 188 N LEU A 15 18.037 9.229 -8.853 1.00 0.00 N ATOM 189 CA LEU A 15 18.639 8.100 -9.549 1.00 0.00 C ATOM 190 C LEU A 15 19.962 8.518 -10.178 1.00 0.00 C ATOM 191 O LEU A 15 20.012 9.457 -10.975 1.00 0.00 O ATOM 192 CB LEU A 15 17.698 7.562 -10.637 1.00 0.00 C ATOM 193 CG LEU A 15 16.521 6.699 -10.155 1.00 0.00 C ATOM 194 CD1 LEU A 15 15.550 7.503 -9.303 1.00 0.00 C ATOM 195 CD2 LEU A 15 15.798 6.087 -11.345 1.00 0.00 C ATOM 0 H LEU A 15 17.331 9.727 -9.394 1.00 0.00 H new ATOM 0 HA LEU A 15 18.817 7.309 -8.821 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.296 8.410 -11.191 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.288 6.974 -11.339 1.00 0.00 H new ATOM 0 HG LEU A 15 16.925 5.901 -9.532 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.731 6.860 -8.980 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.071 7.894 -8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.152 8.332 -9.889 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.966 5.478 -10.991 1.00 0.00 H new ATOM 0 HD22 LEU A 15 15.419 6.881 -11.988 1.00 0.00 H new ATOM 0 HD23 LEU A 15 16.490 5.463 -11.910 1.00 0.00 H new ATOM 207 N LYS A 16 21.033 7.832 -9.818 1.00 0.00 N ATOM 208 CA LYS A 16 22.341 8.130 -10.377 1.00 0.00 C ATOM 209 C LYS A 16 22.908 6.915 -11.092 1.00 0.00 C ATOM 210 O LYS A 16 22.798 5.786 -10.611 1.00 0.00 O ATOM 211 CB LYS A 16 23.311 8.606 -9.293 1.00 0.00 C ATOM 212 CG LYS A 16 23.512 7.613 -8.163 1.00 0.00 C ATOM 213 CD LYS A 16 24.559 8.104 -7.176 1.00 0.00 C ATOM 214 CE LYS A 16 24.648 7.199 -5.959 1.00 0.00 C ATOM 215 NZ LYS A 16 23.352 7.125 -5.238 1.00 0.00 N ATOM 0 H LYS A 16 21.023 7.067 -9.143 1.00 0.00 H new ATOM 0 HA LYS A 16 22.217 8.936 -11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 16 24.277 8.818 -9.752 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.943 9.544 -8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 16 22.567 7.453 -7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 16 23.818 6.650 -8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 16 25.531 8.150 -7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.314 9.118 -6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 16 24.950 6.199 -6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 16 25.420 7.570 -5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.506 6.734 -4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 22.944 8.078 -5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 22.697 6.511 -5.763 1.00 0.00 H new ATOM 229 N GLY A 17 23.511 7.159 -12.239 1.00 0.00 N ATOM 230 CA GLY A 17 24.051 6.087 -13.041 1.00 0.00 C ATOM 231 C GLY A 17 23.841 6.342 -14.514 1.00 0.00 C ATOM 232 O GLY A 17 23.060 7.214 -14.891 1.00 0.00 O ATOM 0 H GLY A 17 23.638 8.091 -12.634 1.00 0.00 H new ATOM 0 HA2 GLY A 17 25.116 5.979 -12.837 1.00 0.00 H new ATOM 0 HA3 GLY A 17 23.576 5.147 -12.762 1.00 0.00 H new ATOM 236 N PHE A 18 24.530 5.590 -15.347 1.00 0.00 N ATOM 237 CA PHE A 18 24.449 5.772 -16.783 1.00 0.00 C ATOM 238 C PHE A 18 24.002 4.479 -17.455 1.00 0.00 C ATOM 239 O PHE A 18 24.684 3.457 -17.382 1.00 0.00 O ATOM 240 CB PHE A 18 25.807 6.213 -17.333 1.00 0.00 C ATOM 241 CG PHE A 18 26.328 7.478 -16.709 1.00 0.00 C ATOM 242 CD1 PHE A 18 25.825 8.711 -17.088 1.00 0.00 C ATOM 243 CD2 PHE A 18 27.317 7.432 -15.738 1.00 0.00 C ATOM 244 CE1 PHE A 18 26.298 9.874 -16.513 1.00 0.00 C ATOM 245 CE2 PHE A 18 27.793 8.592 -15.158 1.00 0.00 C ATOM 246 CZ PHE A 18 27.282 9.815 -15.546 1.00 0.00 C ATOM 0 H PHE A 18 25.157 4.841 -15.052 1.00 0.00 H new ATOM 0 HA PHE A 18 23.714 6.547 -16.998 1.00 0.00 H new ATOM 0 HB2 PHE A 18 26.531 5.414 -17.173 1.00 0.00 H new ATOM 0 HB3 PHE A 18 25.724 6.357 -18.410 1.00 0.00 H new ATOM 0 HD1 PHE A 18 25.054 8.764 -17.842 1.00 0.00 H new ATOM 0 HD2 PHE A 18 27.720 6.478 -15.432 1.00 0.00 H new ATOM 0 HE1 PHE A 18 25.898 10.829 -16.820 1.00 0.00 H new ATOM 0 HE2 PHE A 18 28.563 8.543 -14.403 1.00 0.00 H new ATOM 0 HZ PHE A 18 27.651 10.724 -15.094 1.00 0.00 H new ATOM 256 N VAL A 19 22.856 4.528 -18.107 1.00 0.00 N ATOM 257 CA VAL A 19 22.306 3.360 -18.769 1.00 0.00 C ATOM 258 C VAL A 19 22.691 3.374 -20.240 1.00 0.00 C ATOM 259 O VAL A 19 22.545 4.391 -20.917 1.00 0.00 O ATOM 260 CB VAL A 19 20.768 3.307 -18.635 1.00 0.00 C ATOM 261 CG1 VAL A 19 20.213 2.032 -19.244 1.00 0.00 C ATOM 262 CG2 VAL A 19 20.355 3.425 -17.179 1.00 0.00 C ATOM 0 H VAL A 19 22.285 5.369 -18.193 1.00 0.00 H new ATOM 0 HA VAL A 19 22.719 2.474 -18.287 1.00 0.00 H new ATOM 0 HB VAL A 19 20.352 4.153 -19.183 1.00 0.00 H new ATOM 0 HG11 VAL A 19 19.128 2.020 -19.136 1.00 0.00 H new ATOM 0 HG12 VAL A 19 20.473 1.991 -20.302 1.00 0.00 H new ATOM 0 HG13 VAL A 19 20.638 1.169 -18.732 1.00 0.00 H new ATOM 0 HG21 VAL A 19 19.268 3.386 -17.105 1.00 0.00 H new ATOM 0 HG22 VAL A 19 20.788 2.602 -16.610 1.00 0.00 H new ATOM 0 HG23 VAL A 19 20.712 4.372 -16.775 1.00 0.00 H new ATOM 272 N GLY A 20 23.200 2.258 -20.724 1.00 0.00 N ATOM 273 CA GLY A 20 23.628 2.188 -22.101 1.00 0.00 C ATOM 274 C GLY A 20 23.165 0.918 -22.772 1.00 0.00 C ATOM 275 O GLY A 20 22.849 -0.065 -22.104 1.00 0.00 O ATOM 0 H GLY A 20 23.325 1.399 -20.189 1.00 0.00 H new ATOM 0 HA2 GLY A 20 23.240 3.048 -22.646 1.00 0.00 H new ATOM 0 HA3 GLY A 20 24.715 2.247 -22.146 1.00 0.00 H new ATOM 279 N PHE A 21 23.113 0.932 -24.089 1.00 0.00 N ATOM 280 CA PHE A 21 22.698 -0.241 -24.836 1.00 0.00 C ATOM 281 C PHE A 21 23.915 -1.055 -25.256 1.00 0.00 C ATOM 282 O PHE A 21 24.725 -0.604 -26.065 1.00 0.00 O ATOM 283 CB PHE A 21 21.885 0.173 -26.066 1.00 0.00 C ATOM 284 CG PHE A 21 21.349 -0.986 -26.859 1.00 0.00 C ATOM 285 CD1 PHE A 21 20.226 -1.675 -26.429 1.00 0.00 C ATOM 286 CD2 PHE A 21 21.965 -1.385 -28.035 1.00 0.00 C ATOM 287 CE1 PHE A 21 19.729 -2.740 -27.155 1.00 0.00 C ATOM 288 CE2 PHE A 21 21.473 -2.450 -28.765 1.00 0.00 C ATOM 289 CZ PHE A 21 20.354 -3.128 -28.325 1.00 0.00 C ATOM 0 H PHE A 21 23.352 1.740 -24.664 1.00 0.00 H new ATOM 0 HA PHE A 21 22.069 -0.859 -24.195 1.00 0.00 H new ATOM 0 HB2 PHE A 21 21.051 0.798 -25.745 1.00 0.00 H new ATOM 0 HB3 PHE A 21 22.511 0.786 -26.714 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.734 -1.376 -25.516 1.00 0.00 H new ATOM 0 HD2 PHE A 21 22.840 -0.857 -28.385 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.853 -3.269 -26.809 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.963 -2.752 -29.679 1.00 0.00 H new ATOM 0 HZ PHE A 21 19.967 -3.960 -28.894 1.00 0.00 H new ATOM 299 N ASN A 22 24.052 -2.245 -24.689 1.00 0.00 N ATOM 300 CA ASN A 22 25.132 -3.139 -25.072 1.00 0.00 C ATOM 301 C ASN A 22 24.723 -3.910 -26.315 1.00 0.00 C ATOM 302 O ASN A 22 23.909 -4.832 -26.250 1.00 0.00 O ATOM 303 CB ASN A 22 25.484 -4.102 -23.936 1.00 0.00 C ATOM 304 CG ASN A 22 26.661 -4.998 -24.281 1.00 0.00 C ATOM 305 OD1 ASN A 22 26.491 -6.078 -24.839 1.00 0.00 O ATOM 306 ND2 ASN A 22 27.863 -4.564 -23.940 1.00 0.00 N ATOM 0 H ASN A 22 23.432 -2.611 -23.966 1.00 0.00 H new ATOM 0 HA ASN A 22 26.021 -2.546 -25.285 1.00 0.00 H new ATOM 0 HB2 ASN A 22 25.717 -3.530 -23.038 1.00 0.00 H new ATOM 0 HB3 ASN A 22 24.616 -4.720 -23.705 1.00 0.00 H new ATOM 0 HD21 ASN A 22 28.686 -5.132 -24.140 1.00 0.00 H new ATOM 0 HD22 ASN A 22 27.967 -3.661 -23.477 1.00 0.00 H new ATOM 313 N ARG A 23 25.277 -3.505 -27.444 1.00 0.00 N ATOM 314 CA ARG A 23 24.894 -4.052 -28.738 1.00 0.00 C ATOM 315 C ARG A 23 25.342 -5.504 -28.896 1.00 0.00 C ATOM 316 O ARG A 23 24.697 -6.280 -29.599 1.00 0.00 O ATOM 317 CB ARG A 23 25.475 -3.185 -29.858 1.00 0.00 C ATOM 318 CG ARG A 23 26.967 -2.947 -29.715 1.00 0.00 C ATOM 319 CD ARG A 23 27.498 -1.953 -30.734 1.00 0.00 C ATOM 320 NE ARG A 23 27.377 -2.430 -32.111 1.00 0.00 N ATOM 321 CZ ARG A 23 28.171 -3.351 -32.659 1.00 0.00 C ATOM 322 NH1 ARG A 23 29.037 -4.033 -31.913 1.00 0.00 N ATOM 323 NH2 ARG A 23 28.065 -3.612 -33.954 1.00 0.00 N ATOM 0 H ARG A 23 26.003 -2.790 -27.492 1.00 0.00 H new ATOM 0 HA ARG A 23 23.806 -4.042 -28.800 1.00 0.00 H new ATOM 0 HB2 ARG A 23 25.280 -3.664 -30.818 1.00 0.00 H new ATOM 0 HB3 ARG A 23 24.960 -2.225 -29.870 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.179 -2.581 -28.710 1.00 0.00 H new ATOM 0 HG3 ARG A 23 27.495 -3.894 -29.827 1.00 0.00 H new ATOM 0 HD2 ARG A 23 26.957 -1.012 -30.632 1.00 0.00 H new ATOM 0 HD3 ARG A 23 28.546 -1.744 -30.518 1.00 0.00 H new ATOM 0 HE ARG A 23 26.637 -2.033 -32.690 1.00 0.00 H new ATOM 0 HH11 ARG A 23 29.099 -3.854 -30.911 1.00 0.00 H new ATOM 0 HH12 ARG A 23 29.639 -4.735 -32.344 1.00 0.00 H new ATOM 0 HH21 ARG A 23 27.381 -3.111 -34.521 1.00 0.00 H new ATOM 0 HH22 ARG A 23 28.667 -4.314 -34.384 1.00 0.00 H new ATOM 337 N LYS A 24 26.437 -5.872 -28.236 1.00 0.00 N ATOM 338 CA LYS A 24 26.947 -7.236 -28.309 1.00 0.00 C ATOM 339 C LYS A 24 25.933 -8.227 -27.740 1.00 0.00 C ATOM 340 O LYS A 24 25.583 -9.211 -28.392 1.00 0.00 O ATOM 341 CB LYS A 24 28.281 -7.348 -27.567 1.00 0.00 C ATOM 342 CG LYS A 24 28.942 -8.714 -27.686 1.00 0.00 C ATOM 343 CD LYS A 24 30.364 -8.690 -27.147 1.00 0.00 C ATOM 344 CE LYS A 24 31.247 -7.761 -27.964 1.00 0.00 C ATOM 345 NZ LYS A 24 32.623 -7.665 -27.411 1.00 0.00 N ATOM 0 H LYS A 24 26.986 -5.246 -27.647 1.00 0.00 H new ATOM 0 HA LYS A 24 27.111 -7.483 -29.358 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.964 -6.590 -27.952 1.00 0.00 H new ATOM 0 HB3 LYS A 24 28.119 -7.125 -26.513 1.00 0.00 H new ATOM 0 HG2 LYS A 24 28.356 -9.453 -27.139 1.00 0.00 H new ATOM 0 HG3 LYS A 24 28.952 -9.025 -28.731 1.00 0.00 H new ATOM 0 HD2 LYS A 24 30.356 -8.366 -26.106 1.00 0.00 H new ATOM 0 HD3 LYS A 24 30.779 -9.698 -27.164 1.00 0.00 H new ATOM 0 HE2 LYS A 24 31.295 -8.119 -28.992 1.00 0.00 H new ATOM 0 HE3 LYS A 24 30.799 -6.768 -27.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.190 -7.021 -28.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.582 -7.299 -26.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.062 -8.608 -27.407 1.00 0.00 H new ATOM 359 N THR A 25 25.453 -7.959 -26.532 1.00 0.00 N ATOM 360 CA THR A 25 24.448 -8.810 -25.910 1.00 0.00 C ATOM 361 C THR A 25 23.061 -8.506 -26.468 1.00 0.00 C ATOM 362 O THR A 25 22.162 -9.344 -26.418 1.00 0.00 O ATOM 363 CB THR A 25 24.429 -8.645 -24.377 1.00 0.00 C ATOM 364 OG1 THR A 25 24.240 -7.267 -24.032 1.00 0.00 O ATOM 365 CG2 THR A 25 25.723 -9.156 -23.761 1.00 0.00 C ATOM 0 H THR A 25 25.743 -7.162 -25.966 1.00 0.00 H new ATOM 0 HA THR A 25 24.716 -9.841 -26.143 1.00 0.00 H new ATOM 0 HB THR A 25 23.601 -9.233 -23.982 1.00 0.00 H new ATOM 0 HG1 THR A 25 25.111 -6.821 -23.977 1.00 0.00 H new ATOM 0 HG21 THR A 25 25.686 -9.029 -22.679 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.847 -10.213 -23.998 1.00 0.00 H new ATOM 0 HG23 THR A 25 26.565 -8.593 -24.164 1.00 0.00 H new ATOM 373 N GLY A 26 22.897 -7.297 -26.992 1.00 0.00 N ATOM 374 CA GLY A 26 21.647 -6.914 -27.615 1.00 0.00 C ATOM 375 C GLY A 26 20.610 -6.463 -26.609 1.00 0.00 C ATOM 376 O GLY A 26 19.410 -6.620 -26.835 1.00 0.00 O ATOM 0 H GLY A 26 23.614 -6.571 -26.995 1.00 0.00 H new ATOM 0 HA2 GLY A 26 21.832 -6.109 -28.327 1.00 0.00 H new ATOM 0 HA3 GLY A 26 21.255 -7.758 -28.183 1.00 0.00 H new ATOM 380 N ARG A 27 21.063 -5.899 -25.498 1.00 0.00 N ATOM 381 CA ARG A 27 20.152 -5.446 -24.458 1.00 0.00 C ATOM 382 C ARG A 27 20.755 -4.308 -23.640 1.00 0.00 C ATOM 383 O ARG A 27 21.952 -4.035 -23.720 1.00 0.00 O ATOM 384 CB ARG A 27 19.729 -6.620 -23.559 1.00 0.00 C ATOM 385 CG ARG A 27 20.875 -7.487 -23.039 1.00 0.00 C ATOM 386 CD ARG A 27 21.563 -6.875 -21.827 1.00 0.00 C ATOM 387 NE ARG A 27 20.604 -6.512 -20.785 1.00 0.00 N ATOM 388 CZ ARG A 27 20.172 -7.340 -19.837 1.00 0.00 C ATOM 389 NH1 ARG A 27 20.651 -8.574 -19.755 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.260 -6.923 -18.967 1.00 0.00 N ATOM 0 H ARG A 27 22.051 -5.745 -25.295 1.00 0.00 H new ATOM 0 HA ARG A 27 19.259 -5.053 -24.944 1.00 0.00 H new ATOM 0 HB2 ARG A 27 19.179 -6.223 -22.706 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.039 -7.254 -24.117 1.00 0.00 H new ATOM 0 HG2 ARG A 27 20.491 -8.472 -22.776 1.00 0.00 H new ATOM 0 HG3 ARG A 27 21.607 -7.632 -23.834 1.00 0.00 H new ATOM 0 HD2 ARG A 27 22.287 -7.583 -21.424 1.00 0.00 H new ATOM 0 HD3 ARG A 27 22.120 -5.989 -22.133 1.00 0.00 H new ATOM 0 HE ARG A 27 20.241 -5.559 -20.785 1.00 0.00 H new ATOM 0 HH11 ARG A 27 21.355 -8.893 -20.421 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.316 -9.204 -19.026 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.894 -5.973 -19.028 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.925 -7.553 -18.238 1.00 0.00 H new ATOM 404 N TYR A 28 19.909 -3.644 -22.865 1.00 0.00 N ATOM 405 CA TYR A 28 20.326 -2.506 -22.053 1.00 0.00 C ATOM 406 C TYR A 28 21.103 -2.945 -20.822 1.00 0.00 C ATOM 407 O TYR A 28 20.723 -3.898 -20.147 1.00 0.00 O ATOM 408 CB TYR A 28 19.109 -1.698 -21.612 1.00 0.00 C ATOM 409 CG TYR A 28 18.842 -0.481 -22.461 1.00 0.00 C ATOM 410 CD1 TYR A 28 19.583 0.675 -22.280 1.00 0.00 C ATOM 411 CD2 TYR A 28 17.844 -0.478 -23.423 1.00 0.00 C ATOM 412 CE1 TYR A 28 19.341 1.804 -23.032 1.00 0.00 C ATOM 413 CE2 TYR A 28 17.595 0.647 -24.184 1.00 0.00 C ATOM 414 CZ TYR A 28 18.346 1.787 -23.984 1.00 0.00 C ATOM 415 OH TYR A 28 18.096 2.912 -24.736 1.00 0.00 O ATOM 0 H TYR A 28 18.919 -3.876 -22.780 1.00 0.00 H new ATOM 0 HA TYR A 28 20.979 -1.891 -22.672 1.00 0.00 H new ATOM 0 HB2 TYR A 28 18.230 -2.343 -21.633 1.00 0.00 H new ATOM 0 HB3 TYR A 28 19.249 -1.384 -20.578 1.00 0.00 H new ATOM 0 HD1 TYR A 28 20.365 0.692 -21.535 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.253 -1.368 -23.580 1.00 0.00 H new ATOM 0 HE1 TYR A 28 19.928 2.697 -22.876 1.00 0.00 H new ATOM 0 HE2 TYR A 28 16.816 0.635 -24.932 1.00 0.00 H new ATOM 0 HH TYR A 28 17.364 2.731 -25.362 1.00 0.00 H new ATOM 425 N ILE A 29 22.175 -2.230 -20.528 1.00 0.00 N ATOM 426 CA ILE A 29 22.979 -2.504 -19.349 1.00 0.00 C ATOM 427 C ILE A 29 23.152 -1.240 -18.517 1.00 0.00 C ATOM 428 O ILE A 29 23.077 -0.125 -19.041 1.00 0.00 O ATOM 429 CB ILE A 29 24.363 -3.106 -19.711 1.00 0.00 C ATOM 430 CG1 ILE A 29 25.028 -2.353 -20.875 1.00 0.00 C ATOM 431 CG2 ILE A 29 24.228 -4.585 -20.048 1.00 0.00 C ATOM 432 CD1 ILE A 29 25.724 -1.067 -20.478 1.00 0.00 C ATOM 0 H ILE A 29 22.511 -1.450 -21.094 1.00 0.00 H new ATOM 0 HA ILE A 29 22.445 -3.249 -18.760 1.00 0.00 H new ATOM 0 HB ILE A 29 25.005 -2.996 -18.837 1.00 0.00 H new ATOM 0 HG12 ILE A 29 25.755 -3.013 -21.349 1.00 0.00 H new ATOM 0 HG13 ILE A 29 24.269 -2.124 -21.623 1.00 0.00 H new ATOM 0 HG21 ILE A 29 25.207 -4.992 -20.300 1.00 0.00 H new ATOM 0 HG22 ILE A 29 23.823 -5.119 -19.188 1.00 0.00 H new ATOM 0 HG23 ILE A 29 23.556 -4.705 -20.898 1.00 0.00 H new ATOM 0 HD11 ILE A 29 26.164 -0.604 -21.361 1.00 0.00 H new ATOM 0 HD12 ILE A 29 25.000 -0.384 -20.032 1.00 0.00 H new ATOM 0 HD13 ILE A 29 26.509 -1.287 -19.754 1.00 0.00 H new ATOM 444 N VAL A 30 23.367 -1.408 -17.224 1.00 0.00 N ATOM 445 CA VAL A 30 23.514 -0.273 -16.330 1.00 0.00 C ATOM 446 C VAL A 30 24.970 -0.097 -15.924 1.00 0.00 C ATOM 447 O VAL A 30 25.585 -1.004 -15.359 1.00 0.00 O ATOM 448 CB VAL A 30 22.645 -0.429 -15.063 1.00 0.00 C ATOM 449 CG1 VAL A 30 22.774 0.795 -14.168 1.00 0.00 C ATOM 450 CG2 VAL A 30 21.189 -0.673 -15.434 1.00 0.00 C ATOM 0 H VAL A 30 23.444 -2.318 -16.770 1.00 0.00 H new ATOM 0 HA VAL A 30 23.177 0.610 -16.873 1.00 0.00 H new ATOM 0 HB VAL A 30 23.005 -1.296 -14.509 1.00 0.00 H new ATOM 0 HG11 VAL A 30 22.154 0.664 -13.281 1.00 0.00 H new ATOM 0 HG12 VAL A 30 23.815 0.918 -13.868 1.00 0.00 H new ATOM 0 HG13 VAL A 30 22.446 1.680 -14.713 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.595 -0.780 -14.526 1.00 0.00 H new ATOM 0 HG22 VAL A 30 20.815 0.170 -16.015 1.00 0.00 H new ATOM 0 HG23 VAL A 30 21.112 -1.584 -16.027 1.00 0.00 H new ATOM 460 N ARG A 31 25.527 1.060 -16.238 1.00 0.00 N ATOM 461 CA ARG A 31 26.880 1.392 -15.829 1.00 0.00 C ATOM 462 C ARG A 31 26.830 2.480 -14.771 1.00 0.00 C ATOM 463 O ARG A 31 26.131 3.472 -14.930 1.00 0.00 O ATOM 464 CB ARG A 31 27.708 1.866 -17.030 1.00 0.00 C ATOM 465 CG ARG A 31 27.852 0.837 -18.147 1.00 0.00 C ATOM 466 CD ARG A 31 28.711 -0.352 -17.732 1.00 0.00 C ATOM 467 NE ARG A 31 28.088 -1.147 -16.675 1.00 0.00 N ATOM 468 CZ ARG A 31 28.707 -2.108 -15.997 1.00 0.00 C ATOM 469 NH1 ARG A 31 29.964 -2.426 -16.285 1.00 0.00 N ATOM 470 NH2 ARG A 31 28.061 -2.748 -15.030 1.00 0.00 N ATOM 0 H ARG A 31 25.060 1.788 -16.778 1.00 0.00 H new ATOM 0 HA ARG A 31 27.355 0.501 -15.418 1.00 0.00 H new ATOM 0 HB2 ARG A 31 27.248 2.766 -17.439 1.00 0.00 H new ATOM 0 HB3 ARG A 31 28.702 2.146 -16.682 1.00 0.00 H new ATOM 0 HG2 ARG A 31 26.864 0.483 -18.441 1.00 0.00 H new ATOM 0 HG3 ARG A 31 28.294 1.314 -19.022 1.00 0.00 H new ATOM 0 HD2 ARG A 31 28.893 -0.986 -18.600 1.00 0.00 H new ATOM 0 HD3 ARG A 31 29.682 0.006 -17.389 1.00 0.00 H new ATOM 0 HE ARG A 31 27.114 -0.951 -16.443 1.00 0.00 H new ATOM 0 HH11 ARG A 31 30.457 -1.932 -17.029 1.00 0.00 H new ATOM 0 HH12 ARG A 31 30.436 -3.164 -15.763 1.00 0.00 H new ATOM 0 HH21 ARG A 31 27.096 -2.501 -14.811 1.00 0.00 H new ATOM 0 HH22 ARG A 31 28.530 -3.487 -14.506 1.00 0.00 H new ATOM 484 N PHE A 32 27.555 2.297 -13.688 1.00 0.00 N ATOM 485 CA PHE A 32 27.570 3.291 -12.627 1.00 0.00 C ATOM 486 C PHE A 32 28.633 4.338 -12.913 1.00 0.00 C ATOM 487 O PHE A 32 28.658 5.410 -12.307 1.00 0.00 O ATOM 488 CB PHE A 32 27.781 2.618 -11.275 1.00 0.00 C ATOM 489 CG PHE A 32 26.648 1.698 -10.922 1.00 0.00 C ATOM 490 CD1 PHE A 32 25.485 2.200 -10.362 1.00 0.00 C ATOM 491 CD2 PHE A 32 26.737 0.338 -11.171 1.00 0.00 C ATOM 492 CE1 PHE A 32 24.431 1.363 -10.055 1.00 0.00 C ATOM 493 CE2 PHE A 32 25.686 -0.504 -10.863 1.00 0.00 C ATOM 494 CZ PHE A 32 24.532 0.009 -10.305 1.00 0.00 C ATOM 0 H PHE A 32 28.138 1.478 -13.516 1.00 0.00 H new ATOM 0 HA PHE A 32 26.606 3.799 -12.590 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.714 2.054 -11.292 1.00 0.00 H new ATOM 0 HB3 PHE A 32 27.883 3.380 -10.503 1.00 0.00 H new ATOM 0 HD1 PHE A 32 25.402 3.258 -10.163 1.00 0.00 H new ATOM 0 HD2 PHE A 32 27.636 -0.068 -11.610 1.00 0.00 H new ATOM 0 HE1 PHE A 32 23.529 1.767 -9.620 1.00 0.00 H new ATOM 0 HE2 PHE A 32 25.767 -1.563 -11.059 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.709 -0.648 -10.064 1.00 0.00 H new ATOM 504 N SER A 33 29.496 4.010 -13.857 1.00 0.00 N ATOM 505 CA SER A 33 30.467 4.946 -14.377 1.00 0.00 C ATOM 506 C SER A 33 30.392 4.928 -15.900 1.00 0.00 C ATOM 507 O SER A 33 30.426 3.861 -16.515 1.00 0.00 O ATOM 508 CB SER A 33 31.871 4.563 -13.908 1.00 0.00 C ATOM 509 OG SER A 33 31.892 4.315 -12.509 1.00 0.00 O ATOM 0 H SER A 33 29.541 3.084 -14.283 1.00 0.00 H new ATOM 0 HA SER A 33 30.249 5.949 -14.011 1.00 0.00 H new ATOM 0 HB2 SER A 33 32.207 3.675 -14.443 1.00 0.00 H new ATOM 0 HB3 SER A 33 32.570 5.364 -14.149 1.00 0.00 H new ATOM 0 HG SER A 33 32.800 4.070 -12.234 1.00 0.00 H new ATOM 515 N GLU A 34 30.271 6.101 -16.508 1.00 0.00 N ATOM 516 CA GLU A 34 30.154 6.200 -17.959 1.00 0.00 C ATOM 517 C GLU A 34 31.473 5.835 -18.631 1.00 0.00 C ATOM 518 O GLU A 34 31.530 5.626 -19.840 1.00 0.00 O ATOM 519 CB GLU A 34 29.731 7.610 -18.375 1.00 0.00 C ATOM 520 CG GLU A 34 30.706 8.689 -17.942 1.00 0.00 C ATOM 521 CD GLU A 34 30.402 10.031 -18.567 1.00 0.00 C ATOM 522 OE1 GLU A 34 30.595 10.171 -19.793 1.00 0.00 O ATOM 523 OE2 GLU A 34 29.968 10.951 -17.841 1.00 0.00 O ATOM 0 H GLU A 34 30.251 6.997 -16.021 1.00 0.00 H new ATOM 0 HA GLU A 34 29.387 5.496 -18.282 1.00 0.00 H new ATOM 0 HB2 GLU A 34 29.623 7.643 -19.459 1.00 0.00 H new ATOM 0 HB3 GLU A 34 28.751 7.826 -17.951 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.679 8.783 -16.856 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.718 8.388 -18.211 1.00 0.00 H new ATOM 530 N ASP A 35 32.530 5.762 -17.832 1.00 0.00 N ATOM 531 CA ASP A 35 33.859 5.434 -18.334 1.00 0.00 C ATOM 532 C ASP A 35 34.062 3.925 -18.377 1.00 0.00 C ATOM 533 O ASP A 35 35.085 3.439 -18.854 1.00 0.00 O ATOM 534 CB ASP A 35 34.939 6.074 -17.456 1.00 0.00 C ATOM 535 CG ASP A 35 34.820 7.581 -17.383 1.00 0.00 C ATOM 536 OD1 ASP A 35 35.295 8.268 -18.313 1.00 0.00 O ATOM 537 OD2 ASP A 35 34.248 8.090 -16.393 1.00 0.00 O ATOM 0 H ASP A 35 32.492 5.927 -16.826 1.00 0.00 H new ATOM 0 HA ASP A 35 33.942 5.830 -19.346 1.00 0.00 H new ATOM 0 HB2 ASP A 35 34.875 5.660 -16.450 1.00 0.00 H new ATOM 0 HB3 ASP A 35 35.922 5.810 -17.847 1.00 0.00 H new ATOM 542 N SER A 36 33.076 3.185 -17.888 1.00 0.00 N ATOM 543 CA SER A 36 33.157 1.731 -17.844 1.00 0.00 C ATOM 544 C SER A 36 32.592 1.111 -19.123 1.00 0.00 C ATOM 545 O SER A 36 32.119 -0.030 -19.122 1.00 0.00 O ATOM 546 CB SER A 36 32.399 1.212 -16.621 1.00 0.00 C ATOM 547 OG SER A 36 32.826 1.876 -15.443 1.00 0.00 O ATOM 0 H SER A 36 32.208 3.569 -17.515 1.00 0.00 H new ATOM 0 HA SER A 36 34.205 1.442 -17.768 1.00 0.00 H new ATOM 0 HB2 SER A 36 31.328 1.362 -16.761 1.00 0.00 H new ATOM 0 HB3 SER A 36 32.559 0.139 -16.517 1.00 0.00 H new ATOM 0 HG SER A 36 32.327 1.530 -14.674 1.00 0.00 H new ATOM 553 N PHE A 37 32.651 1.864 -20.214 1.00 0.00 N ATOM 554 CA PHE A 37 32.179 1.384 -21.506 1.00 0.00 C ATOM 555 C PHE A 37 33.331 0.728 -22.268 1.00 0.00 C ATOM 556 O PHE A 37 34.399 0.493 -21.701 1.00 0.00 O ATOM 557 CB PHE A 37 31.568 2.535 -22.321 1.00 0.00 C ATOM 558 CG PHE A 37 32.567 3.534 -22.846 1.00 0.00 C ATOM 559 CD1 PHE A 37 33.228 4.400 -21.993 1.00 0.00 C ATOM 560 CD2 PHE A 37 32.840 3.602 -24.202 1.00 0.00 C ATOM 561 CE1 PHE A 37 34.143 5.312 -22.480 1.00 0.00 C ATOM 562 CE2 PHE A 37 33.754 4.511 -24.696 1.00 0.00 C ATOM 563 CZ PHE A 37 34.406 5.368 -23.834 1.00 0.00 C ATOM 0 H PHE A 37 33.023 2.814 -20.229 1.00 0.00 H new ATOM 0 HA PHE A 37 31.400 0.640 -21.343 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.018 2.114 -23.163 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.844 3.059 -21.698 1.00 0.00 H new ATOM 0 HD1 PHE A 37 33.026 4.362 -20.933 1.00 0.00 H new ATOM 0 HD2 PHE A 37 32.331 2.935 -24.882 1.00 0.00 H new ATOM 0 HE1 PHE A 37 34.653 5.981 -21.802 1.00 0.00 H new ATOM 0 HE2 PHE A 37 33.958 4.551 -25.756 1.00 0.00 H new ATOM 0 HZ PHE A 37 35.121 6.081 -24.218 1.00 0.00 H new ATOM 573 N GLY A 38 33.119 0.429 -23.542 1.00 0.00 N ATOM 574 CA GLY A 38 34.154 -0.211 -24.328 1.00 0.00 C ATOM 575 C GLY A 38 34.053 0.136 -25.795 1.00 0.00 C ATOM 576 O GLY A 38 33.406 1.115 -26.160 1.00 0.00 O ATOM 0 H GLY A 38 32.251 0.618 -24.044 1.00 0.00 H new ATOM 0 HA2 GLY A 38 35.132 0.090 -23.952 1.00 0.00 H new ATOM 0 HA3 GLY A 38 34.084 -1.292 -24.206 1.00 0.00 H new ATOM 580 N MET A 39 34.682 -0.666 -26.642 1.00 0.00 N ATOM 581 CA MET A 39 34.618 -0.443 -28.082 1.00 0.00 C ATOM 582 C MET A 39 33.272 -0.903 -28.623 1.00 0.00 C ATOM 583 O MET A 39 32.865 -0.523 -29.719 1.00 0.00 O ATOM 584 CB MET A 39 35.754 -1.170 -28.808 1.00 0.00 C ATOM 585 CG MET A 39 35.741 -2.680 -28.628 1.00 0.00 C ATOM 586 SD MET A 39 37.044 -3.504 -29.563 1.00 0.00 S ATOM 587 CE MET A 39 38.498 -2.662 -28.935 1.00 0.00 C ATOM 0 H MET A 39 35.240 -1.473 -26.361 1.00 0.00 H new ATOM 0 HA MET A 39 34.732 0.626 -28.263 1.00 0.00 H new ATOM 0 HB2 MET A 39 35.695 -0.941 -29.872 1.00 0.00 H new ATOM 0 HB3 MET A 39 36.707 -0.781 -28.450 1.00 0.00 H new ATOM 0 HG2 MET A 39 35.854 -2.917 -27.570 1.00 0.00 H new ATOM 0 HG3 MET A 39 34.773 -3.071 -28.941 1.00 0.00 H new ATOM 0 HE1 MET A 39 39.388 -3.244 -29.176 1.00 0.00 H new ATOM 0 HE2 MET A 39 38.574 -1.676 -29.393 1.00 0.00 H new ATOM 0 HE3 MET A 39 38.417 -2.554 -27.853 1.00 0.00 H new ATOM 597 N ASP A 40 32.588 -1.730 -27.844 1.00 0.00 N ATOM 598 CA ASP A 40 31.260 -2.197 -28.214 1.00 0.00 C ATOM 599 C ASP A 40 30.217 -1.175 -27.792 1.00 0.00 C ATOM 600 O ASP A 40 29.479 -0.644 -28.619 1.00 0.00 O ATOM 601 CB ASP A 40 30.961 -3.548 -27.566 1.00 0.00 C ATOM 602 CG ASP A 40 29.653 -4.137 -28.056 1.00 0.00 C ATOM 603 OD1 ASP A 40 29.613 -4.599 -29.218 1.00 0.00 O ATOM 604 OD2 ASP A 40 28.666 -4.137 -27.289 1.00 0.00 O ATOM 0 H ASP A 40 32.931 -2.091 -26.953 1.00 0.00 H new ATOM 0 HA ASP A 40 31.225 -2.320 -29.296 1.00 0.00 H new ATOM 0 HB2 ASP A 40 31.774 -4.241 -27.782 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.922 -3.430 -26.483 1.00 0.00 H new ATOM 609 N VAL A 41 30.178 -0.889 -26.499 1.00 0.00 N ATOM 610 CA VAL A 41 29.273 0.114 -25.966 1.00 0.00 C ATOM 611 C VAL A 41 29.795 1.509 -26.275 1.00 0.00 C ATOM 612 O VAL A 41 30.739 1.975 -25.642 1.00 0.00 O ATOM 613 CB VAL A 41 29.096 -0.029 -24.438 1.00 0.00 C ATOM 614 CG1 VAL A 41 28.184 1.063 -23.893 1.00 0.00 C ATOM 615 CG2 VAL A 41 28.557 -1.405 -24.087 1.00 0.00 C ATOM 0 H VAL A 41 30.766 -1.340 -25.798 1.00 0.00 H new ATOM 0 HA VAL A 41 28.304 -0.038 -26.442 1.00 0.00 H new ATOM 0 HB VAL A 41 30.074 0.084 -23.971 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.075 0.941 -22.815 1.00 0.00 H new ATOM 0 HG12 VAL A 41 28.619 2.040 -24.106 1.00 0.00 H new ATOM 0 HG13 VAL A 41 27.205 0.990 -24.368 1.00 0.00 H new ATOM 0 HG21 VAL A 41 28.440 -1.485 -23.006 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.590 -1.551 -24.569 1.00 0.00 H new ATOM 0 HG23 VAL A 41 29.254 -2.168 -24.434 1.00 0.00 H new ATOM 625 N ALA A 42 29.203 2.155 -27.265 1.00 0.00 N ATOM 626 CA ALA A 42 29.575 3.518 -27.605 1.00 0.00 C ATOM 627 C ALA A 42 29.114 4.476 -26.515 1.00 0.00 C ATOM 628 O ALA A 42 28.031 4.310 -25.953 1.00 0.00 O ATOM 629 CB ALA A 42 28.979 3.912 -28.948 1.00 0.00 C ATOM 0 H ALA A 42 28.464 1.759 -27.846 1.00 0.00 H new ATOM 0 HA ALA A 42 30.661 3.575 -27.682 1.00 0.00 H new ATOM 0 HB1 ALA A 42 29.267 4.936 -29.188 1.00 0.00 H new ATOM 0 HB2 ALA A 42 29.350 3.240 -29.722 1.00 0.00 H new ATOM 0 HB3 ALA A 42 27.892 3.843 -28.898 1.00 0.00 H new ATOM 635 N ASP A 43 29.927 5.484 -26.224 1.00 0.00 N ATOM 636 CA ASP A 43 29.600 6.448 -25.175 1.00 0.00 C ATOM 637 C ASP A 43 28.508 7.403 -25.646 1.00 0.00 C ATOM 638 O ASP A 43 27.982 8.198 -24.870 1.00 0.00 O ATOM 639 CB ASP A 43 30.847 7.225 -24.724 1.00 0.00 C ATOM 640 CG ASP A 43 31.400 8.161 -25.782 1.00 0.00 C ATOM 641 OD1 ASP A 43 31.939 7.670 -26.799 1.00 0.00 O ATOM 642 OD2 ASP A 43 31.323 9.390 -25.590 1.00 0.00 O ATOM 0 H ASP A 43 30.814 5.657 -26.696 1.00 0.00 H new ATOM 0 HA ASP A 43 29.225 5.894 -24.314 1.00 0.00 H new ATOM 0 HB2 ASP A 43 30.601 7.803 -23.833 1.00 0.00 H new ATOM 0 HB3 ASP A 43 31.623 6.515 -24.439 1.00 0.00 H new ATOM 647 N ASP A 44 28.158 7.296 -26.923 1.00 0.00 N ATOM 648 CA ASP A 44 27.055 8.063 -27.490 1.00 0.00 C ATOM 649 C ASP A 44 25.743 7.311 -27.275 1.00 0.00 C ATOM 650 O ASP A 44 24.655 7.856 -27.446 1.00 0.00 O ATOM 651 CB ASP A 44 27.292 8.302 -28.985 1.00 0.00 C ATOM 652 CG ASP A 44 26.347 9.331 -29.578 1.00 0.00 C ATOM 653 OD1 ASP A 44 26.539 10.534 -29.312 1.00 0.00 O ATOM 654 OD2 ASP A 44 25.431 8.949 -30.337 1.00 0.00 O ATOM 0 H ASP A 44 28.626 6.681 -27.589 1.00 0.00 H new ATOM 0 HA ASP A 44 26.997 9.030 -26.990 1.00 0.00 H new ATOM 0 HB2 ASP A 44 28.320 8.631 -29.136 1.00 0.00 H new ATOM 0 HB3 ASP A 44 27.177 7.360 -29.521 1.00 0.00 H new ATOM 659 N SER A 45 25.864 6.049 -26.880 1.00 0.00 N ATOM 660 CA SER A 45 24.708 5.200 -26.632 1.00 0.00 C ATOM 661 C SER A 45 24.435 5.103 -25.131 1.00 0.00 C ATOM 662 O SER A 45 23.714 4.214 -24.672 1.00 0.00 O ATOM 663 CB SER A 45 24.964 3.807 -27.205 1.00 0.00 C ATOM 664 OG SER A 45 25.487 3.886 -28.520 1.00 0.00 O ATOM 0 H SER A 45 26.761 5.589 -26.724 1.00 0.00 H new ATOM 0 HA SER A 45 23.836 5.637 -27.118 1.00 0.00 H new ATOM 0 HB2 SER A 45 25.662 3.269 -26.564 1.00 0.00 H new ATOM 0 HB3 SER A 45 24.035 3.237 -27.213 1.00 0.00 H new ATOM 0 HG SER A 45 25.644 2.982 -28.864 1.00 0.00 H new ATOM 670 N ILE A 46 25.020 6.025 -24.376 1.00 0.00 N ATOM 671 CA ILE A 46 24.889 6.034 -22.927 1.00 0.00 C ATOM 672 C ILE A 46 24.078 7.245 -22.473 1.00 0.00 C ATOM 673 O ILE A 46 24.277 8.356 -22.963 1.00 0.00 O ATOM 674 CB ILE A 46 26.278 6.053 -22.245 1.00 0.00 C ATOM 675 CG1 ILE A 46 27.096 4.827 -22.666 1.00 0.00 C ATOM 676 CG2 ILE A 46 26.137 6.104 -20.731 1.00 0.00 C ATOM 677 CD1 ILE A 46 28.492 4.795 -22.081 1.00 0.00 C ATOM 0 H ILE A 46 25.594 6.781 -24.749 1.00 0.00 H new ATOM 0 HA ILE A 46 24.369 5.122 -22.633 1.00 0.00 H new ATOM 0 HB ILE A 46 26.805 6.951 -22.568 1.00 0.00 H new ATOM 0 HG12 ILE A 46 26.564 3.925 -22.363 1.00 0.00 H new ATOM 0 HG13 ILE A 46 27.167 4.805 -23.753 1.00 0.00 H new ATOM 0 HG21 ILE A 46 27.126 6.117 -20.274 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.594 7.005 -20.446 1.00 0.00 H new ATOM 0 HG23 ILE A 46 25.589 5.227 -20.387 1.00 0.00 H new ATOM 0 HD11 ILE A 46 29.010 3.899 -22.423 1.00 0.00 H new ATOM 0 HD12 ILE A 46 29.043 5.678 -22.405 1.00 0.00 H new ATOM 0 HD13 ILE A 46 28.430 4.785 -20.993 1.00 0.00 H new ATOM 689 N THR A 47 23.152 7.022 -21.555 1.00 0.00 N ATOM 690 CA THR A 47 22.319 8.090 -21.030 1.00 0.00 C ATOM 691 C THR A 47 22.102 7.914 -19.527 1.00 0.00 C ATOM 692 O THR A 47 21.761 6.821 -19.073 1.00 0.00 O ATOM 693 CB THR A 47 20.956 8.114 -21.753 1.00 0.00 C ATOM 694 OG1 THR A 47 21.163 8.270 -23.164 1.00 0.00 O ATOM 695 CG2 THR A 47 20.071 9.241 -21.236 1.00 0.00 C ATOM 0 H THR A 47 22.958 6.104 -21.156 1.00 0.00 H new ATOM 0 HA THR A 47 22.831 9.036 -21.204 1.00 0.00 H new ATOM 0 HB THR A 47 20.450 7.170 -21.554 1.00 0.00 H new ATOM 0 HG1 THR A 47 20.297 8.283 -23.622 1.00 0.00 H new ATOM 0 HG21 THR A 47 19.119 9.229 -21.767 1.00 0.00 H new ATOM 0 HG22 THR A 47 19.894 9.104 -20.169 1.00 0.00 H new ATOM 0 HG23 THR A 47 20.566 10.198 -21.402 1.00 0.00 H new ATOM 703 N PRO A 48 22.329 8.976 -18.734 1.00 0.00 N ATOM 704 CA PRO A 48 22.078 8.960 -17.289 1.00 0.00 C ATOM 705 C PRO A 48 20.670 8.464 -16.965 1.00 0.00 C ATOM 706 O PRO A 48 19.694 8.913 -17.565 1.00 0.00 O ATOM 707 CB PRO A 48 22.246 10.428 -16.865 1.00 0.00 C ATOM 708 CG PRO A 48 22.320 11.213 -18.136 1.00 0.00 C ATOM 709 CD PRO A 48 22.853 10.275 -19.177 1.00 0.00 C ATOM 0 HA PRO A 48 22.754 8.284 -16.765 1.00 0.00 H new ATOM 0 HB2 PRO A 48 21.407 10.756 -16.251 1.00 0.00 H new ATOM 0 HB3 PRO A 48 23.149 10.562 -16.269 1.00 0.00 H new ATOM 0 HG2 PRO A 48 21.337 11.590 -18.418 1.00 0.00 H new ATOM 0 HG3 PRO A 48 22.972 12.079 -18.021 1.00 0.00 H new ATOM 0 HD2 PRO A 48 22.501 10.535 -20.175 1.00 0.00 H new ATOM 0 HD3 PRO A 48 23.942 10.283 -19.211 1.00 0.00 H new ATOM 717 N THR A 49 20.570 7.551 -16.006 1.00 0.00 N ATOM 718 CA THR A 49 19.312 6.876 -15.712 1.00 0.00 C ATOM 719 C THR A 49 18.247 7.847 -15.203 1.00 0.00 C ATOM 720 O THR A 49 17.055 7.616 -15.398 1.00 0.00 O ATOM 721 CB THR A 49 19.509 5.725 -14.700 1.00 0.00 C ATOM 722 OG1 THR A 49 18.281 5.008 -14.522 1.00 0.00 O ATOM 723 CG2 THR A 49 19.998 6.240 -13.353 1.00 0.00 C ATOM 0 H THR A 49 21.350 7.260 -15.416 1.00 0.00 H new ATOM 0 HA THR A 49 18.960 6.453 -16.653 1.00 0.00 H new ATOM 0 HB THR A 49 20.269 5.057 -15.106 1.00 0.00 H new ATOM 0 HG1 THR A 49 18.417 4.280 -13.880 1.00 0.00 H new ATOM 0 HG21 THR A 49 20.125 5.402 -12.667 1.00 0.00 H new ATOM 0 HG22 THR A 49 20.952 6.750 -13.483 1.00 0.00 H new ATOM 0 HG23 THR A 49 19.267 6.937 -12.943 1.00 0.00 H new ATOM 731 N SER A 50 18.670 8.933 -14.570 1.00 0.00 N ATOM 732 CA SER A 50 17.732 9.940 -14.101 1.00 0.00 C ATOM 733 C SER A 50 17.093 10.643 -15.294 1.00 0.00 C ATOM 734 O SER A 50 15.881 10.813 -15.351 1.00 0.00 O ATOM 735 CB SER A 50 18.437 10.955 -13.199 1.00 0.00 C ATOM 736 OG SER A 50 17.512 11.848 -12.606 1.00 0.00 O ATOM 0 H SER A 50 19.649 9.137 -14.371 1.00 0.00 H new ATOM 0 HA SER A 50 16.953 9.450 -13.517 1.00 0.00 H new ATOM 0 HB2 SER A 50 18.989 10.430 -12.420 1.00 0.00 H new ATOM 0 HB3 SER A 50 19.166 11.518 -13.782 1.00 0.00 H new ATOM 0 HG SER A 50 16.845 11.339 -12.100 1.00 0.00 H new ATOM 742 N GLU A 51 17.915 11.006 -16.268 1.00 0.00 N ATOM 743 CA GLU A 51 17.431 11.694 -17.457 1.00 0.00 C ATOM 744 C GLU A 51 16.749 10.702 -18.397 1.00 0.00 C ATOM 745 O GLU A 51 16.029 11.084 -19.317 1.00 0.00 O ATOM 746 CB GLU A 51 18.593 12.389 -18.165 1.00 0.00 C ATOM 747 CG GLU A 51 18.159 13.376 -19.233 1.00 0.00 C ATOM 748 CD GLU A 51 19.333 14.042 -19.913 1.00 0.00 C ATOM 749 OE1 GLU A 51 20.095 14.754 -19.227 1.00 0.00 O ATOM 750 OE2 GLU A 51 19.492 13.867 -21.138 1.00 0.00 O ATOM 0 H GLU A 51 18.921 10.836 -16.259 1.00 0.00 H new ATOM 0 HA GLU A 51 16.701 12.447 -17.161 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.197 12.913 -17.424 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.233 11.633 -18.621 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.556 12.858 -19.979 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.523 14.138 -18.783 1.00 0.00 H new ATOM 757 N PHE A 52 16.982 9.422 -18.146 1.00 0.00 N ATOM 758 CA PHE A 52 16.387 8.357 -18.939 1.00 0.00 C ATOM 759 C PHE A 52 14.901 8.219 -18.618 1.00 0.00 C ATOM 760 O PHE A 52 14.103 7.841 -19.478 1.00 0.00 O ATOM 761 CB PHE A 52 17.119 7.036 -18.672 1.00 0.00 C ATOM 762 CG PHE A 52 16.660 5.893 -19.535 1.00 0.00 C ATOM 763 CD1 PHE A 52 17.028 5.828 -20.870 1.00 0.00 C ATOM 764 CD2 PHE A 52 15.862 4.886 -19.013 1.00 0.00 C ATOM 765 CE1 PHE A 52 16.611 4.781 -21.667 1.00 0.00 C ATOM 766 CE2 PHE A 52 15.441 3.836 -19.807 1.00 0.00 C ATOM 767 CZ PHE A 52 15.816 3.784 -21.136 1.00 0.00 C ATOM 0 H PHE A 52 17.585 9.094 -17.392 1.00 0.00 H new ATOM 0 HA PHE A 52 16.486 8.607 -19.995 1.00 0.00 H new ATOM 0 HB2 PHE A 52 18.187 7.188 -18.827 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.984 6.764 -17.625 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.648 6.605 -21.291 1.00 0.00 H new ATOM 0 HD2 PHE A 52 15.566 4.923 -17.975 1.00 0.00 H new ATOM 0 HE1 PHE A 52 16.906 4.741 -22.705 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.820 3.057 -19.389 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.488 2.965 -21.759 1.00 0.00 H new ATOM 777 N VAL A 53 14.529 8.541 -17.381 1.00 0.00 N ATOM 778 CA VAL A 53 13.136 8.442 -16.967 1.00 0.00 C ATOM 779 C VAL A 53 12.364 9.678 -17.413 1.00 0.00 C ATOM 780 O VAL A 53 11.135 9.667 -17.490 1.00 0.00 O ATOM 781 CB VAL A 53 12.985 8.260 -15.436 1.00 0.00 C ATOM 782 CG1 VAL A 53 13.917 7.177 -14.921 1.00 0.00 C ATOM 783 CG2 VAL A 53 13.221 9.562 -14.691 1.00 0.00 C ATOM 0 H VAL A 53 15.167 8.869 -16.656 1.00 0.00 H new ATOM 0 HA VAL A 53 12.725 7.554 -17.447 1.00 0.00 H new ATOM 0 HB VAL A 53 11.957 7.949 -15.248 1.00 0.00 H new ATOM 0 HG11 VAL A 53 13.790 7.070 -13.844 1.00 0.00 H new ATOM 0 HG12 VAL A 53 13.681 6.232 -15.410 1.00 0.00 H new ATOM 0 HG13 VAL A 53 14.949 7.451 -15.140 1.00 0.00 H new ATOM 0 HG21 VAL A 53 13.106 9.394 -13.620 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.230 9.921 -14.896 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.497 10.307 -15.021 1.00 0.00 H new ATOM 793 N TRP A 54 13.098 10.741 -17.713 1.00 0.00 N ATOM 794 CA TRP A 54 12.496 11.969 -18.194 1.00 0.00 C ATOM 795 C TRP A 54 12.354 11.927 -19.707 1.00 0.00 C ATOM 796 O TRP A 54 13.310 11.645 -20.431 1.00 0.00 O ATOM 797 CB TRP A 54 13.325 13.186 -17.775 1.00 0.00 C ATOM 798 CG TRP A 54 13.245 13.491 -16.309 1.00 0.00 C ATOM 799 CD1 TRP A 54 14.233 13.337 -15.378 1.00 0.00 C ATOM 800 CD2 TRP A 54 12.108 14.002 -15.605 1.00 0.00 C ATOM 801 NE1 TRP A 54 13.781 13.729 -14.141 1.00 0.00 N ATOM 802 CE2 TRP A 54 12.478 14.138 -14.255 1.00 0.00 C ATOM 803 CE3 TRP A 54 10.811 14.357 -15.989 1.00 0.00 C ATOM 804 CZ2 TRP A 54 11.598 14.617 -13.288 1.00 0.00 C ATOM 805 CZ3 TRP A 54 9.940 14.833 -15.029 1.00 0.00 C ATOM 806 CH2 TRP A 54 10.336 14.958 -13.692 1.00 0.00 C ATOM 0 H TRP A 54 14.114 10.774 -17.630 1.00 0.00 H new ATOM 0 HA TRP A 54 11.506 12.060 -17.747 1.00 0.00 H new ATOM 0 HB2 TRP A 54 14.367 13.016 -18.046 1.00 0.00 H new ATOM 0 HB3 TRP A 54 12.987 14.056 -18.338 1.00 0.00 H new ATOM 0 HD1 TRP A 54 15.225 12.962 -15.584 1.00 0.00 H new ATOM 0 HE1 TRP A 54 14.326 13.717 -13.279 1.00 0.00 H new ATOM 0 HE3 TRP A 54 10.496 14.261 -17.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.901 14.716 -12.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.937 15.113 -15.314 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.631 15.331 -12.964 1.00 0.00 H new ATOM 817 N SER A 55 11.152 12.184 -20.177 1.00 0.00 N ATOM 818 CA SER A 55 10.884 12.220 -21.596 1.00 0.00 C ATOM 819 C SER A 55 10.663 13.658 -22.045 1.00 0.00 C ATOM 820 O SER A 55 9.602 14.243 -21.796 1.00 0.00 O ATOM 821 CB SER A 55 9.660 11.363 -21.921 1.00 0.00 C ATOM 822 OG SER A 55 9.828 10.035 -21.448 1.00 0.00 O ATOM 0 H SER A 55 10.339 12.372 -19.590 1.00 0.00 H new ATOM 0 HA SER A 55 11.742 11.815 -22.132 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.772 11.804 -21.468 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.496 11.351 -22.999 1.00 0.00 H new ATOM 0 HG SER A 55 9.032 9.507 -21.666 1.00 0.00 H new ATOM 828 N SER A 56 11.679 14.239 -22.665 1.00 0.00 N ATOM 829 CA SER A 56 11.574 15.588 -23.186 1.00 0.00 C ATOM 830 C SER A 56 10.721 15.575 -24.447 1.00 0.00 C ATOM 831 O SER A 56 11.096 14.977 -25.454 1.00 0.00 O ATOM 832 CB SER A 56 12.968 16.141 -23.483 1.00 0.00 C ATOM 833 OG SER A 56 13.816 16.010 -22.353 1.00 0.00 O ATOM 0 H SER A 56 12.584 13.795 -22.818 1.00 0.00 H new ATOM 0 HA SER A 56 11.101 16.233 -22.445 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.401 15.610 -24.331 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.894 17.191 -23.768 1.00 0.00 H new ATOM 0 HG SER A 56 13.507 16.609 -21.641 1.00 0.00 H new ATOM 839 N VAL A 57 9.565 16.218 -24.383 1.00 0.00 N ATOM 840 CA VAL A 57 8.622 16.190 -25.492 1.00 0.00 C ATOM 841 C VAL A 57 8.256 17.595 -25.947 1.00 0.00 C ATOM 842 O VAL A 57 7.465 17.773 -26.873 1.00 0.00 O ATOM 843 CB VAL A 57 7.334 15.423 -25.114 1.00 0.00 C ATOM 844 CG1 VAL A 57 7.631 13.945 -24.908 1.00 0.00 C ATOM 845 CG2 VAL A 57 6.699 16.017 -23.864 1.00 0.00 C ATOM 0 H VAL A 57 9.257 16.764 -23.578 1.00 0.00 H new ATOM 0 HA VAL A 57 9.117 15.671 -26.313 1.00 0.00 H new ATOM 0 HB VAL A 57 6.627 15.522 -25.938 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.712 13.423 -24.643 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.035 13.523 -25.828 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.359 13.829 -24.105 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.794 15.462 -23.617 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.402 15.954 -23.034 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.445 17.061 -24.046 1.00 0.00 H new ATOM 855 N ARG A 58 8.834 18.592 -25.300 1.00 0.00 N ATOM 856 CA ARG A 58 8.536 19.974 -25.625 1.00 0.00 C ATOM 857 C ARG A 58 9.677 20.870 -25.173 1.00 0.00 C ATOM 858 O ARG A 58 10.510 20.459 -24.364 1.00 0.00 O ATOM 859 CB ARG A 58 7.225 20.397 -24.961 1.00 0.00 C ATOM 860 CG ARG A 58 6.281 21.140 -25.889 1.00 0.00 C ATOM 861 CD ARG A 58 4.889 21.235 -25.291 1.00 0.00 C ATOM 862 NE ARG A 58 3.894 21.676 -26.266 1.00 0.00 N ATOM 863 CZ ARG A 58 2.813 20.966 -26.590 1.00 0.00 C ATOM 864 NH1 ARG A 58 2.650 19.745 -26.097 1.00 0.00 N ATOM 865 NH2 ARG A 58 1.918 21.459 -27.437 1.00 0.00 N ATOM 0 H ARG A 58 9.512 18.470 -24.547 1.00 0.00 H new ATOM 0 HA ARG A 58 8.424 20.072 -26.705 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.720 19.510 -24.578 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.451 21.031 -24.104 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.667 22.141 -26.080 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.233 20.628 -26.850 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.599 20.262 -24.895 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.904 21.930 -24.451 1.00 0.00 H new ATOM 0 HE ARG A 58 4.034 22.577 -26.724 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.351 19.350 -25.471 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.823 19.201 -26.344 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.056 22.385 -27.843 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.092 20.912 -27.682 1.00 0.00 H new ATOM 879 N ASP A 59 9.709 22.084 -25.708 1.00 0.00 N ATOM 880 CA ASP A 59 10.751 23.058 -25.388 1.00 0.00 C ATOM 881 C ASP A 59 10.788 23.335 -23.894 1.00 0.00 C ATOM 882 O ASP A 59 11.848 23.348 -23.270 1.00 0.00 O ATOM 883 CB ASP A 59 10.487 24.376 -26.124 1.00 0.00 C ATOM 884 CG ASP A 59 10.167 24.183 -27.590 1.00 0.00 C ATOM 885 OD1 ASP A 59 9.034 23.760 -27.900 1.00 0.00 O ATOM 886 OD2 ASP A 59 11.037 24.466 -28.439 1.00 0.00 O ATOM 0 H ASP A 59 9.016 22.423 -26.375 1.00 0.00 H new ATOM 0 HA ASP A 59 11.707 22.640 -25.703 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.658 24.894 -25.642 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.362 25.019 -26.031 1.00 0.00 H new ATOM 891 N ASP A 60 9.614 23.561 -23.331 1.00 0.00 N ATOM 892 CA ASP A 60 9.492 23.934 -21.930 1.00 0.00 C ATOM 893 C ASP A 60 8.997 22.762 -21.092 1.00 0.00 C ATOM 894 O ASP A 60 9.371 22.613 -19.930 1.00 0.00 O ATOM 895 CB ASP A 60 8.524 25.115 -21.807 1.00 0.00 C ATOM 896 CG ASP A 60 8.373 25.625 -20.387 1.00 0.00 C ATOM 897 OD1 ASP A 60 9.211 26.442 -19.957 1.00 0.00 O ATOM 898 OD2 ASP A 60 7.393 25.242 -19.711 1.00 0.00 O ATOM 0 H ASP A 60 8.725 23.492 -23.826 1.00 0.00 H new ATOM 0 HA ASP A 60 10.475 24.221 -21.556 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.873 25.929 -22.442 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.546 24.814 -22.183 1.00 0.00 H new ATOM 903 N VAL A 61 8.181 21.913 -21.702 1.00 0.00 N ATOM 904 CA VAL A 61 7.488 20.860 -20.974 1.00 0.00 C ATOM 905 C VAL A 61 8.142 19.497 -21.185 1.00 0.00 C ATOM 906 O VAL A 61 8.348 19.060 -22.318 1.00 0.00 O ATOM 907 CB VAL A 61 6.009 20.771 -21.407 1.00 0.00 C ATOM 908 CG1 VAL A 61 5.233 19.826 -20.501 1.00 0.00 C ATOM 909 CG2 VAL A 61 5.368 22.150 -21.430 1.00 0.00 C ATOM 0 H VAL A 61 7.983 21.934 -22.702 1.00 0.00 H new ATOM 0 HA VAL A 61 7.550 21.121 -19.918 1.00 0.00 H new ATOM 0 HB VAL A 61 5.978 20.367 -22.419 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.194 19.781 -20.827 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.673 18.830 -20.552 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.276 20.189 -19.474 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.326 22.062 -21.738 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.416 22.590 -20.434 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.902 22.788 -22.135 1.00 0.00 H new ATOM 919 N MET A 62 8.473 18.834 -20.090 1.00 0.00 N ATOM 920 CA MET A 62 8.949 17.460 -20.139 1.00 0.00 C ATOM 921 C MET A 62 8.075 16.604 -19.238 1.00 0.00 C ATOM 922 O MET A 62 7.485 17.113 -18.292 1.00 0.00 O ATOM 923 CB MET A 62 10.411 17.372 -19.694 1.00 0.00 C ATOM 924 CG MET A 62 11.367 18.165 -20.571 1.00 0.00 C ATOM 925 SD MET A 62 13.088 17.993 -20.060 1.00 0.00 S ATOM 926 CE MET A 62 13.017 18.673 -18.403 1.00 0.00 C ATOM 0 H MET A 62 8.421 19.227 -19.150 1.00 0.00 H new ATOM 0 HA MET A 62 8.890 17.098 -21.165 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.491 17.731 -18.668 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.718 16.326 -19.691 1.00 0.00 H new ATOM 0 HG2 MET A 62 11.265 17.834 -21.604 1.00 0.00 H new ATOM 0 HG3 MET A 62 11.088 19.218 -20.545 1.00 0.00 H new ATOM 0 HE1 MET A 62 14.020 18.951 -18.080 1.00 0.00 H new ATOM 0 HE2 MET A 62 12.377 19.556 -18.399 1.00 0.00 H new ATOM 0 HE3 MET A 62 12.610 17.927 -17.721 1.00 0.00 H new ATOM 936 N ARG A 63 7.972 15.318 -19.526 1.00 0.00 N ATOM 937 CA ARG A 63 7.129 14.442 -18.723 1.00 0.00 C ATOM 938 C ARG A 63 7.903 13.221 -18.252 1.00 0.00 C ATOM 939 O ARG A 63 8.999 12.946 -18.735 1.00 0.00 O ATOM 940 CB ARG A 63 5.890 14.000 -19.507 1.00 0.00 C ATOM 941 CG ARG A 63 6.206 13.250 -20.788 1.00 0.00 C ATOM 942 CD ARG A 63 4.960 12.611 -21.380 1.00 0.00 C ATOM 943 NE ARG A 63 5.237 11.967 -22.661 1.00 0.00 N ATOM 944 CZ ARG A 63 5.711 10.726 -22.789 1.00 0.00 C ATOM 945 NH1 ARG A 63 5.909 9.970 -21.713 1.00 0.00 N ATOM 946 NH2 ARG A 63 5.973 10.239 -23.996 1.00 0.00 N ATOM 0 H ARG A 63 8.454 14.859 -20.299 1.00 0.00 H new ATOM 0 HA ARG A 63 6.806 15.010 -17.850 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.276 13.365 -18.868 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.294 14.879 -19.750 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.645 13.935 -21.513 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.950 12.480 -20.586 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.562 11.875 -20.682 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.190 13.371 -21.514 1.00 0.00 H new ATOM 0 HE ARG A 63 5.057 12.500 -23.512 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.698 10.338 -20.785 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.271 9.022 -21.815 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.812 10.813 -24.824 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.335 9.291 -24.096 1.00 0.00 H new ATOM 960 N LEU A 64 7.326 12.501 -17.305 1.00 0.00 N ATOM 961 CA LEU A 64 7.923 11.273 -16.807 1.00 0.00 C ATOM 962 C LEU A 64 7.501 10.119 -17.712 1.00 0.00 C ATOM 963 O LEU A 64 6.314 9.951 -17.998 1.00 0.00 O ATOM 964 CB LEU A 64 7.472 11.024 -15.359 1.00 0.00 C ATOM 965 CG LEU A 64 8.484 10.314 -14.444 1.00 0.00 C ATOM 966 CD1 LEU A 64 8.781 8.904 -14.928 1.00 0.00 C ATOM 967 CD2 LEU A 64 9.769 11.120 -14.344 1.00 0.00 C ATOM 0 H LEU A 64 6.440 12.747 -16.863 1.00 0.00 H new ATOM 0 HA LEU A 64 9.010 11.354 -16.814 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.219 11.984 -14.909 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.557 10.432 -15.382 1.00 0.00 H new ATOM 0 HG LEU A 64 8.036 10.239 -13.453 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.500 8.433 -14.257 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.860 8.322 -14.939 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.197 8.945 -15.935 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.473 10.603 -13.693 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.207 11.231 -15.336 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.550 12.105 -13.932 1.00 0.00 H new ATOM 979 N GLY A 65 8.467 9.348 -18.181 1.00 0.00 N ATOM 980 CA GLY A 65 8.166 8.254 -19.076 1.00 0.00 C ATOM 981 C GLY A 65 7.977 6.945 -18.349 1.00 0.00 C ATOM 982 O GLY A 65 8.767 6.595 -17.479 1.00 0.00 O ATOM 0 H GLY A 65 9.456 9.461 -17.957 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.262 8.487 -19.638 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.973 8.150 -19.801 1.00 0.00 H new ATOM 986 N ARG A 66 6.913 6.231 -18.679 1.00 0.00 N ATOM 987 CA ARG A 66 6.685 4.904 -18.119 1.00 0.00 C ATOM 988 C ARG A 66 7.696 3.903 -18.682 1.00 0.00 C ATOM 989 O ARG A 66 7.930 2.847 -18.096 1.00 0.00 O ATOM 990 CB ARG A 66 5.263 4.419 -18.425 1.00 0.00 C ATOM 991 CG ARG A 66 4.162 5.412 -18.076 1.00 0.00 C ATOM 992 CD ARG A 66 3.861 5.436 -16.586 1.00 0.00 C ATOM 993 NE ARG A 66 3.339 4.155 -16.107 1.00 0.00 N ATOM 994 CZ ARG A 66 2.198 4.020 -15.425 1.00 0.00 C ATOM 995 NH1 ARG A 66 1.447 5.081 -15.158 1.00 0.00 N ATOM 996 NH2 ARG A 66 1.804 2.818 -15.019 1.00 0.00 N ATOM 0 H ARG A 66 6.194 6.545 -19.330 1.00 0.00 H new ATOM 0 HA ARG A 66 6.810 4.973 -17.038 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.196 4.181 -19.487 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.084 3.493 -17.879 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.458 6.409 -18.401 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.256 5.154 -18.624 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.770 5.684 -16.037 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.137 6.223 -16.376 1.00 0.00 H new ATOM 0 HE ARG A 66 3.880 3.313 -16.306 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.740 6.006 -15.474 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.577 4.972 -14.637 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.373 1.997 -15.228 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.933 2.716 -14.498 1.00 0.00 H new ATOM 1010 N GLU A 67 8.287 4.254 -19.824 1.00 0.00 N ATOM 1011 CA GLU A 67 9.190 3.365 -20.558 1.00 0.00 C ATOM 1012 C GLU A 67 10.323 2.835 -19.682 1.00 0.00 C ATOM 1013 O GLU A 67 10.625 1.640 -19.700 1.00 0.00 O ATOM 1014 CB GLU A 67 9.778 4.105 -21.760 1.00 0.00 C ATOM 1015 CG GLU A 67 8.737 4.525 -22.782 1.00 0.00 C ATOM 1016 CD GLU A 67 8.018 3.340 -23.387 1.00 0.00 C ATOM 1017 OE1 GLU A 67 8.580 2.707 -24.305 1.00 0.00 O ATOM 1018 OE2 GLU A 67 6.888 3.036 -22.948 1.00 0.00 O ATOM 0 H GLU A 67 8.154 5.163 -20.267 1.00 0.00 H new ATOM 0 HA GLU A 67 8.603 2.509 -20.890 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.308 4.990 -21.408 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.515 3.465 -22.246 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.011 5.185 -22.308 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.219 5.098 -23.574 1.00 0.00 H new ATOM 1025 N GLN A 68 10.938 3.731 -18.922 1.00 0.00 N ATOM 1026 CA GLN A 68 12.054 3.381 -18.044 1.00 0.00 C ATOM 1027 C GLN A 68 11.728 2.201 -17.126 1.00 0.00 C ATOM 1028 O GLN A 68 12.594 1.374 -16.844 1.00 0.00 O ATOM 1029 CB GLN A 68 12.491 4.608 -17.230 1.00 0.00 C ATOM 1030 CG GLN A 68 11.344 5.445 -16.668 1.00 0.00 C ATOM 1031 CD GLN A 68 10.760 4.909 -15.379 1.00 0.00 C ATOM 1032 OE1 GLN A 68 11.436 4.247 -14.598 1.00 0.00 O ATOM 1033 NE2 GLN A 68 9.498 5.220 -15.139 1.00 0.00 N ATOM 0 H GLN A 68 10.681 4.718 -18.894 1.00 0.00 H new ATOM 0 HA GLN A 68 12.881 3.062 -18.678 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.117 4.274 -16.403 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.111 5.244 -17.862 1.00 0.00 H new ATOM 0 HG2 GLN A 68 11.700 6.461 -16.498 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.553 5.505 -17.415 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.971 5.773 -15.815 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.051 4.907 -14.277 1.00 0.00 H new ATOM 1042 N LEU A 69 10.471 2.101 -16.704 1.00 0.00 N ATOM 1043 CA LEU A 69 10.046 1.052 -15.783 1.00 0.00 C ATOM 1044 C LEU A 69 10.297 -0.330 -16.366 1.00 0.00 C ATOM 1045 O LEU A 69 10.663 -1.258 -15.649 1.00 0.00 O ATOM 1046 CB LEU A 69 8.556 1.187 -15.469 1.00 0.00 C ATOM 1047 CG LEU A 69 8.143 2.473 -14.760 1.00 0.00 C ATOM 1048 CD1 LEU A 69 6.628 2.587 -14.727 1.00 0.00 C ATOM 1049 CD2 LEU A 69 8.716 2.508 -13.350 1.00 0.00 C ATOM 0 H LEU A 69 9.726 2.737 -16.987 1.00 0.00 H new ATOM 0 HA LEU A 69 10.631 1.167 -14.870 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.999 1.114 -16.403 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.256 0.341 -14.851 1.00 0.00 H new ATOM 0 HG LEU A 69 8.543 3.324 -15.312 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.343 3.508 -14.219 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.242 2.601 -15.746 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.210 1.734 -14.192 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.413 3.432 -12.857 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.342 1.655 -12.784 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.804 2.463 -13.398 1.00 0.00 H new ATOM 1061 N GLN A 70 10.111 -0.453 -17.672 1.00 0.00 N ATOM 1062 CA GLN A 70 10.182 -1.746 -18.338 1.00 0.00 C ATOM 1063 C GLN A 70 11.590 -2.318 -18.253 1.00 0.00 C ATOM 1064 O GLN A 70 11.775 -3.508 -18.010 1.00 0.00 O ATOM 1065 CB GLN A 70 9.750 -1.612 -19.803 1.00 0.00 C ATOM 1066 CG GLN A 70 8.476 -0.796 -20.004 1.00 0.00 C ATOM 1067 CD GLN A 70 7.204 -1.484 -19.522 1.00 0.00 C ATOM 1068 OE1 GLN A 70 6.122 -1.244 -20.060 1.00 0.00 O ATOM 1069 NE2 GLN A 70 7.311 -2.332 -18.512 1.00 0.00 N ATOM 0 H GLN A 70 9.909 0.330 -18.294 1.00 0.00 H new ATOM 0 HA GLN A 70 9.502 -2.432 -17.832 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.559 -1.149 -20.368 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.600 -2.608 -20.219 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.581 0.154 -19.480 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.370 -0.565 -21.064 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.222 -2.509 -18.089 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.482 -2.809 -18.157 1.00 0.00 H new ATOM 1078 N ILE A 71 12.577 -1.464 -18.462 1.00 0.00 N ATOM 1079 CA ILE A 71 13.969 -1.874 -18.377 1.00 0.00 C ATOM 1080 C ILE A 71 14.408 -2.027 -16.918 1.00 0.00 C ATOM 1081 O ILE A 71 15.172 -2.931 -16.577 1.00 0.00 O ATOM 1082 CB ILE A 71 14.886 -0.871 -19.114 1.00 0.00 C ATOM 1083 CG1 ILE A 71 14.430 -0.731 -20.570 1.00 0.00 C ATOM 1084 CG2 ILE A 71 16.341 -1.319 -19.048 1.00 0.00 C ATOM 1085 CD1 ILE A 71 15.176 0.329 -21.348 1.00 0.00 C ATOM 0 H ILE A 71 12.440 -0.480 -18.692 1.00 0.00 H new ATOM 0 HA ILE A 71 14.060 -2.845 -18.865 1.00 0.00 H new ATOM 0 HB ILE A 71 14.813 0.100 -18.623 1.00 0.00 H new ATOM 0 HG12 ILE A 71 14.553 -1.690 -21.073 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.365 -0.497 -20.586 1.00 0.00 H new ATOM 0 HG21 ILE A 71 16.968 -0.598 -19.573 1.00 0.00 H new ATOM 0 HG22 ILE A 71 16.655 -1.382 -18.006 1.00 0.00 H new ATOM 0 HG23 ILE A 71 16.442 -2.298 -19.517 1.00 0.00 H new ATOM 0 HD11 ILE A 71 14.795 0.367 -22.369 1.00 0.00 H new ATOM 0 HD12 ILE A 71 15.033 1.299 -20.871 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.239 0.087 -21.366 1.00 0.00 H new ATOM 1097 N LEU A 72 13.901 -1.150 -16.054 1.00 0.00 N ATOM 1098 CA LEU A 72 14.300 -1.144 -14.648 1.00 0.00 C ATOM 1099 C LEU A 72 13.723 -2.332 -13.883 1.00 0.00 C ATOM 1100 O LEU A 72 14.341 -2.821 -12.942 1.00 0.00 O ATOM 1101 CB LEU A 72 13.877 0.158 -13.960 1.00 0.00 C ATOM 1102 CG LEU A 72 14.480 1.437 -14.545 1.00 0.00 C ATOM 1103 CD1 LEU A 72 14.093 2.641 -13.704 1.00 0.00 C ATOM 1104 CD2 LEU A 72 15.994 1.324 -14.652 1.00 0.00 C ATOM 0 H LEU A 72 13.215 -0.437 -16.302 1.00 0.00 H new ATOM 0 HA LEU A 72 15.387 -1.223 -14.634 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.791 0.236 -14.004 1.00 0.00 H new ATOM 0 HB3 LEU A 72 14.150 0.097 -12.906 1.00 0.00 H new ATOM 0 HG LEU A 72 14.079 1.573 -15.549 1.00 0.00 H new ATOM 0 HD11 LEU A 72 14.531 3.542 -14.135 1.00 0.00 H new ATOM 0 HD12 LEU A 72 13.007 2.738 -13.685 1.00 0.00 H new ATOM 0 HD13 LEU A 72 14.463 2.509 -12.687 1.00 0.00 H new ATOM 0 HD21 LEU A 72 16.399 2.245 -15.070 1.00 0.00 H new ATOM 0 HD22 LEU A 72 16.417 1.159 -13.661 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.251 0.487 -15.301 1.00 0.00 H new ATOM 1116 N LEU A 73 12.540 -2.795 -14.278 1.00 0.00 N ATOM 1117 CA LEU A 73 11.887 -3.903 -13.581 1.00 0.00 C ATOM 1118 C LEU A 73 12.711 -5.188 -13.677 1.00 0.00 C ATOM 1119 O LEU A 73 12.583 -6.079 -12.837 1.00 0.00 O ATOM 1120 CB LEU A 73 10.441 -4.116 -14.078 1.00 0.00 C ATOM 1121 CG LEU A 73 10.247 -4.448 -15.564 1.00 0.00 C ATOM 1122 CD1 LEU A 73 10.533 -5.915 -15.850 1.00 0.00 C ATOM 1123 CD2 LEU A 73 8.832 -4.094 -15.995 1.00 0.00 C ATOM 0 H LEU A 73 12.016 -2.425 -15.071 1.00 0.00 H new ATOM 0 HA LEU A 73 11.828 -3.633 -12.527 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.999 -4.922 -13.492 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.872 -3.213 -13.858 1.00 0.00 H new ATOM 0 HG LEU A 73 10.958 -3.853 -16.138 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.386 -6.114 -16.911 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.563 -6.145 -15.577 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.855 -6.538 -15.266 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.703 -4.333 -17.051 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.118 -4.666 -15.403 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.660 -3.029 -15.840 1.00 0.00 H new ATOM 1135 N GLU A 74 13.544 -5.281 -14.710 1.00 0.00 N ATOM 1136 CA GLU A 74 14.411 -6.441 -14.895 1.00 0.00 C ATOM 1137 C GLU A 74 15.495 -6.488 -13.818 1.00 0.00 C ATOM 1138 O GLU A 74 16.048 -7.548 -13.522 1.00 0.00 O ATOM 1139 CB GLU A 74 15.055 -6.407 -16.282 1.00 0.00 C ATOM 1140 CG GLU A 74 14.050 -6.400 -17.424 1.00 0.00 C ATOM 1141 CD GLU A 74 14.717 -6.429 -18.782 1.00 0.00 C ATOM 1142 OE1 GLU A 74 14.980 -7.536 -19.297 1.00 0.00 O ATOM 1143 OE2 GLU A 74 14.987 -5.349 -19.344 1.00 0.00 O ATOM 0 H GLU A 74 13.637 -4.567 -15.432 1.00 0.00 H new ATOM 0 HA GLU A 74 13.799 -7.339 -14.809 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.685 -5.521 -16.359 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.709 -7.273 -16.390 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.390 -7.262 -17.328 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.425 -5.510 -17.348 1.00 0.00 H new ATOM 1150 N GLN A 75 15.786 -5.336 -13.227 1.00 0.00 N ATOM 1151 CA GLN A 75 16.806 -5.239 -12.191 1.00 0.00 C ATOM 1152 C GLN A 75 16.185 -4.769 -10.880 1.00 0.00 C ATOM 1153 O GLN A 75 15.979 -3.575 -10.670 1.00 0.00 O ATOM 1154 CB GLN A 75 17.917 -4.279 -12.624 1.00 0.00 C ATOM 1155 CG GLN A 75 18.673 -4.743 -13.859 1.00 0.00 C ATOM 1156 CD GLN A 75 19.427 -6.037 -13.627 1.00 0.00 C ATOM 1157 OE1 GLN A 75 19.882 -6.313 -12.517 1.00 0.00 O ATOM 1158 NE2 GLN A 75 19.551 -6.848 -14.666 1.00 0.00 N ATOM 0 H GLN A 75 15.328 -4.452 -13.449 1.00 0.00 H new ATOM 0 HA GLN A 75 17.240 -6.227 -12.038 1.00 0.00 H new ATOM 0 HB2 GLN A 75 17.483 -3.299 -12.821 1.00 0.00 H new ATOM 0 HB3 GLN A 75 18.621 -4.157 -11.801 1.00 0.00 H new ATOM 0 HG2 GLN A 75 17.970 -4.878 -14.681 1.00 0.00 H new ATOM 0 HG3 GLN A 75 19.375 -3.967 -14.164 1.00 0.00 H new ATOM 0 HE21 GLN A 75 19.160 -6.583 -15.570 1.00 0.00 H new ATOM 0 HE22 GLN A 75 20.038 -7.738 -14.563 1.00 0.00 H new ATOM 1167 N ASN A 76 15.888 -5.712 -10.000 1.00 0.00 N ATOM 1168 CA ASN A 76 15.203 -5.404 -8.750 1.00 0.00 C ATOM 1169 C ASN A 76 16.189 -5.064 -7.643 1.00 0.00 C ATOM 1170 O ASN A 76 15.806 -4.947 -6.478 1.00 0.00 O ATOM 1171 CB ASN A 76 14.321 -6.577 -8.309 1.00 0.00 C ATOM 1172 CG ASN A 76 13.158 -6.840 -9.252 1.00 0.00 C ATOM 1173 OD1 ASN A 76 12.733 -7.982 -9.420 1.00 0.00 O ATOM 1174 ND2 ASN A 76 12.624 -5.791 -9.864 1.00 0.00 N ATOM 0 H ASN A 76 16.110 -6.699 -10.127 1.00 0.00 H new ATOM 0 HA ASN A 76 14.575 -4.532 -8.933 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.933 -7.476 -8.238 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.932 -6.376 -7.311 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.835 -5.917 -10.498 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.003 -4.858 -9.701 1.00 0.00 H new ATOM 1181 N ILE A 77 17.458 -4.905 -8.002 1.00 0.00 N ATOM 1182 CA ILE A 77 18.476 -4.498 -7.040 1.00 0.00 C ATOM 1183 C ILE A 77 18.358 -3.006 -6.721 1.00 0.00 C ATOM 1184 O ILE A 77 19.213 -2.197 -7.080 1.00 0.00 O ATOM 1185 CB ILE A 77 19.912 -4.857 -7.507 1.00 0.00 C ATOM 1186 CG1 ILE A 77 20.051 -4.800 -9.037 1.00 0.00 C ATOM 1187 CG2 ILE A 77 20.298 -6.237 -6.999 1.00 0.00 C ATOM 1188 CD1 ILE A 77 20.200 -3.404 -9.603 1.00 0.00 C ATOM 0 H ILE A 77 17.806 -5.051 -8.950 1.00 0.00 H new ATOM 0 HA ILE A 77 18.293 -5.063 -6.126 1.00 0.00 H new ATOM 0 HB ILE A 77 20.589 -4.112 -7.087 1.00 0.00 H new ATOM 0 HG12 ILE A 77 20.917 -5.392 -9.333 1.00 0.00 H new ATOM 0 HG13 ILE A 77 19.176 -5.269 -9.486 1.00 0.00 H new ATOM 0 HG21 ILE A 77 21.307 -6.478 -7.333 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.264 -6.246 -5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.600 -6.977 -7.390 1.00 0.00 H new ATOM 0 HD11 ILE A 77 20.292 -3.459 -10.688 1.00 0.00 H new ATOM 0 HD12 ILE A 77 19.324 -2.810 -9.343 1.00 0.00 H new ATOM 0 HD13 ILE A 77 21.092 -2.936 -9.187 1.00 0.00 H new ATOM 1200 N ASN A 78 17.277 -2.667 -6.032 1.00 0.00 N ATOM 1201 CA ASN A 78 16.928 -1.286 -5.726 1.00 0.00 C ATOM 1202 C ASN A 78 18.017 -0.598 -4.913 1.00 0.00 C ATOM 1203 O ASN A 78 18.332 0.568 -5.149 1.00 0.00 O ATOM 1204 CB ASN A 78 15.606 -1.245 -4.960 1.00 0.00 C ATOM 1205 CG ASN A 78 15.172 0.167 -4.631 1.00 0.00 C ATOM 1206 OD1 ASN A 78 15.523 0.711 -3.585 1.00 0.00 O ATOM 1207 ND2 ASN A 78 14.404 0.768 -5.522 1.00 0.00 N ATOM 0 H ASN A 78 16.612 -3.348 -5.667 1.00 0.00 H new ATOM 0 HA ASN A 78 16.826 -0.749 -6.669 1.00 0.00 H new ATOM 0 HB2 ASN A 78 14.831 -1.731 -5.552 1.00 0.00 H new ATOM 0 HB3 ASN A 78 15.707 -1.815 -4.037 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.079 1.720 -5.355 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.136 0.280 -6.377 1.00 0.00 H new ATOM 1214 N GLU A 79 18.601 -1.335 -3.972 1.00 0.00 N ATOM 1215 CA GLU A 79 19.646 -0.795 -3.104 1.00 0.00 C ATOM 1216 C GLU A 79 20.838 -0.298 -3.923 1.00 0.00 C ATOM 1217 O GLU A 79 21.558 0.612 -3.509 1.00 0.00 O ATOM 1218 CB GLU A 79 20.114 -1.853 -2.103 1.00 0.00 C ATOM 1219 CG GLU A 79 19.001 -2.417 -1.231 1.00 0.00 C ATOM 1220 CD GLU A 79 18.251 -1.346 -0.467 1.00 0.00 C ATOM 1221 OE1 GLU A 79 18.891 -0.595 0.298 1.00 0.00 O ATOM 1222 OE2 GLU A 79 17.012 -1.264 -0.615 1.00 0.00 O ATOM 0 H GLU A 79 18.368 -2.311 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 79 19.221 0.048 -2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 79 20.584 -2.671 -2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 79 20.879 -1.417 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 79 18.299 -2.968 -1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 79 19.426 -3.130 -0.525 1.00 0.00 H new ATOM 1229 N ARG A 80 21.048 -0.913 -5.075 1.00 0.00 N ATOM 1230 CA ARG A 80 22.139 -0.535 -5.958 1.00 0.00 C ATOM 1231 C ARG A 80 21.670 0.475 -6.996 1.00 0.00 C ATOM 1232 O ARG A 80 22.310 1.500 -7.222 1.00 0.00 O ATOM 1233 CB ARG A 80 22.675 -1.772 -6.673 1.00 0.00 C ATOM 1234 CG ARG A 80 23.987 -1.536 -7.402 1.00 0.00 C ATOM 1235 CD ARG A 80 24.470 -2.794 -8.102 1.00 0.00 C ATOM 1236 NE ARG A 80 24.767 -3.863 -7.156 1.00 0.00 N ATOM 1237 CZ ARG A 80 24.531 -5.154 -7.388 1.00 0.00 C ATOM 1238 NH1 ARG A 80 24.002 -5.542 -8.546 1.00 0.00 N ATOM 1239 NH2 ARG A 80 24.834 -6.055 -6.465 1.00 0.00 N ATOM 0 H ARG A 80 20.473 -1.681 -5.422 1.00 0.00 H new ATOM 0 HA ARG A 80 22.926 -0.082 -5.354 1.00 0.00 H new ATOM 0 HB2 ARG A 80 22.813 -2.571 -5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 80 21.929 -2.119 -7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 80 23.859 -0.738 -8.133 1.00 0.00 H new ATOM 0 HG3 ARG A 80 24.743 -1.200 -6.692 1.00 0.00 H new ATOM 0 HD2 ARG A 80 23.709 -3.133 -8.805 1.00 0.00 H new ATOM 0 HD3 ARG A 80 25.363 -2.566 -8.684 1.00 0.00 H new ATOM 0 HE ARG A 80 25.182 -3.607 -6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 80 23.775 -4.850 -9.260 1.00 0.00 H new ATOM 0 HH12 ARG A 80 23.823 -6.531 -8.719 1.00 0.00 H new ATOM 0 HH21 ARG A 80 25.247 -5.760 -5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 80 24.655 -7.044 -6.639 1.00 0.00 H new ATOM 1253 N LEU A 81 20.541 0.162 -7.614 1.00 0.00 N ATOM 1254 CA LEU A 81 20.023 0.931 -8.747 1.00 0.00 C ATOM 1255 C LEU A 81 19.510 2.314 -8.322 1.00 0.00 C ATOM 1256 O LEU A 81 19.394 3.218 -9.149 1.00 0.00 O ATOM 1257 CB LEU A 81 18.917 0.127 -9.437 1.00 0.00 C ATOM 1258 CG LEU A 81 18.640 0.504 -10.894 1.00 0.00 C ATOM 1259 CD1 LEU A 81 19.909 0.399 -11.726 1.00 0.00 C ATOM 1260 CD2 LEU A 81 17.555 -0.391 -11.475 1.00 0.00 C ATOM 0 H LEU A 81 19.955 -0.630 -7.349 1.00 0.00 H new ATOM 0 HA LEU A 81 20.841 1.105 -9.446 1.00 0.00 H new ATOM 0 HB2 LEU A 81 19.181 -0.930 -9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 81 17.995 0.247 -8.867 1.00 0.00 H new ATOM 0 HG LEU A 81 18.294 1.537 -10.921 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.691 0.671 -12.759 1.00 0.00 H new ATOM 0 HD12 LEU A 81 20.664 1.075 -11.325 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.283 -0.624 -11.692 1.00 0.00 H new ATOM 0 HD21 LEU A 81 17.369 -0.111 -12.512 1.00 0.00 H new ATOM 0 HD22 LEU A 81 17.880 -1.431 -11.433 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.638 -0.273 -10.897 1.00 0.00 H new ATOM 1272 N ASN A 82 19.195 2.460 -7.033 1.00 0.00 N ATOM 1273 CA ASN A 82 18.822 3.756 -6.445 1.00 0.00 C ATOM 1274 C ASN A 82 17.469 4.262 -6.938 1.00 0.00 C ATOM 1275 O ASN A 82 17.244 5.470 -7.018 1.00 0.00 O ATOM 1276 CB ASN A 82 19.892 4.821 -6.718 1.00 0.00 C ATOM 1277 CG ASN A 82 21.197 4.562 -5.990 1.00 0.00 C ATOM 1278 OD1 ASN A 82 22.266 4.936 -6.468 1.00 0.00 O ATOM 1279 ND2 ASN A 82 21.125 3.943 -4.820 1.00 0.00 N ATOM 0 H ASN A 82 19.190 1.688 -6.366 1.00 0.00 H new ATOM 0 HA ASN A 82 18.745 3.583 -5.372 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.085 4.866 -7.790 1.00 0.00 H new ATOM 0 HB3 ASN A 82 19.507 5.797 -6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 82 21.975 3.763 -4.285 1.00 0.00 H new ATOM 0 HD22 ASN A 82 20.220 3.647 -4.455 1.00 0.00 H new ATOM 1286 N ILE A 83 16.559 3.349 -7.249 1.00 0.00 N ATOM 1287 CA ILE A 83 15.203 3.739 -7.617 1.00 0.00 C ATOM 1288 C ILE A 83 14.446 4.212 -6.377 1.00 0.00 C ATOM 1289 O ILE A 83 14.456 3.546 -5.340 1.00 0.00 O ATOM 1290 CB ILE A 83 14.440 2.584 -8.328 1.00 0.00 C ATOM 1291 CG1 ILE A 83 14.663 2.643 -9.843 1.00 0.00 C ATOM 1292 CG2 ILE A 83 12.947 2.624 -8.025 1.00 0.00 C ATOM 1293 CD1 ILE A 83 16.113 2.589 -10.260 1.00 0.00 C ATOM 0 H ILE A 83 16.731 2.344 -7.254 1.00 0.00 H new ATOM 0 HA ILE A 83 15.269 4.561 -8.330 1.00 0.00 H new ATOM 0 HB ILE A 83 14.840 1.646 -7.941 1.00 0.00 H new ATOM 0 HG12 ILE A 83 14.132 1.813 -10.309 1.00 0.00 H new ATOM 0 HG13 ILE A 83 14.220 3.562 -10.228 1.00 0.00 H new ATOM 0 HG21 ILE A 83 12.449 1.802 -8.539 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.791 2.527 -6.951 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.531 3.571 -8.368 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.181 2.636 -11.347 1.00 0.00 H new ATOM 0 HD12 ILE A 83 16.648 3.434 -9.826 1.00 0.00 H new ATOM 0 HD13 ILE A 83 16.558 1.658 -9.909 1.00 0.00 H new ATOM 1305 N GLY A 84 13.818 5.375 -6.485 1.00 0.00 N ATOM 1306 CA GLY A 84 13.120 5.954 -5.355 1.00 0.00 C ATOM 1307 C GLY A 84 11.881 5.173 -4.963 1.00 0.00 C ATOM 1308 O GLY A 84 11.319 4.433 -5.770 1.00 0.00 O ATOM 0 H GLY A 84 13.780 5.930 -7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.797 6.003 -4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.836 6.979 -5.596 1.00 0.00 H new ATOM 1312 N GLU A 85 11.451 5.350 -3.722 1.00 0.00 N ATOM 1313 CA GLU A 85 10.272 4.668 -3.203 1.00 0.00 C ATOM 1314 C GLU A 85 9.006 5.041 -3.993 1.00 0.00 C ATOM 1315 O GLU A 85 8.254 4.154 -4.394 1.00 0.00 O ATOM 1316 CB GLU A 85 10.080 4.961 -1.709 1.00 0.00 C ATOM 1317 CG GLU A 85 11.174 4.392 -0.811 1.00 0.00 C ATOM 1318 CD GLU A 85 12.498 5.118 -0.948 1.00 0.00 C ATOM 1319 OE1 GLU A 85 12.579 6.290 -0.533 1.00 0.00 O ATOM 1320 OE2 GLU A 85 13.465 4.517 -1.458 1.00 0.00 O ATOM 0 H GLU A 85 11.906 5.967 -3.049 1.00 0.00 H new ATOM 0 HA GLU A 85 10.437 3.598 -3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.034 6.041 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.119 4.556 -1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.845 4.442 0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.319 3.338 -1.049 1.00 0.00 H new ATOM 1327 N PRO A 86 8.742 6.348 -4.245 1.00 0.00 N ATOM 1328 CA PRO A 86 7.604 6.767 -5.078 1.00 0.00 C ATOM 1329 C PRO A 86 7.697 6.217 -6.502 1.00 0.00 C ATOM 1330 O PRO A 86 6.704 6.135 -7.219 1.00 0.00 O ATOM 1331 CB PRO A 86 7.698 8.297 -5.091 1.00 0.00 C ATOM 1332 CG PRO A 86 8.508 8.642 -3.892 1.00 0.00 C ATOM 1333 CD PRO A 86 9.485 7.516 -3.727 1.00 0.00 C ATOM 0 HA PRO A 86 6.659 6.394 -4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.172 8.656 -6.005 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.709 8.754 -5.045 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.024 9.592 -4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 86 7.877 8.746 -3.009 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.402 7.692 -4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 86 9.772 7.381 -2.684 1.00 0.00 H new ATOM 1341 N LEU A 87 8.893 5.823 -6.904 1.00 0.00 N ATOM 1342 CA LEU A 87 9.106 5.270 -8.233 1.00 0.00 C ATOM 1343 C LEU A 87 8.597 3.831 -8.286 1.00 0.00 C ATOM 1344 O LEU A 87 8.259 3.315 -9.350 1.00 0.00 O ATOM 1345 CB LEU A 87 10.593 5.331 -8.615 1.00 0.00 C ATOM 1346 CG LEU A 87 11.136 6.713 -9.022 1.00 0.00 C ATOM 1347 CD1 LEU A 87 10.498 7.176 -10.323 1.00 0.00 C ATOM 1348 CD2 LEU A 87 10.914 7.748 -7.928 1.00 0.00 C ATOM 0 H LEU A 87 9.734 5.875 -6.329 1.00 0.00 H new ATOM 0 HA LEU A 87 8.548 5.868 -8.954 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.179 4.969 -7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.763 4.640 -9.441 1.00 0.00 H new ATOM 0 HG LEU A 87 12.211 6.612 -9.172 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.894 8.154 -10.594 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.724 6.461 -11.114 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.418 7.245 -10.194 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.310 8.710 -8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.847 7.844 -7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.426 7.432 -7.019 1.00 0.00 H new ATOM 1360 N LEU A 88 8.530 3.195 -7.120 1.00 0.00 N ATOM 1361 CA LEU A 88 8.010 1.839 -7.011 1.00 0.00 C ATOM 1362 C LEU A 88 6.492 1.834 -7.167 1.00 0.00 C ATOM 1363 O LEU A 88 5.926 0.960 -7.823 1.00 0.00 O ATOM 1364 CB LEU A 88 8.402 1.219 -5.666 1.00 0.00 C ATOM 1365 CG LEU A 88 9.907 1.073 -5.429 1.00 0.00 C ATOM 1366 CD1 LEU A 88 10.174 0.542 -4.031 1.00 0.00 C ATOM 1367 CD2 LEU A 88 10.523 0.153 -6.472 1.00 0.00 C ATOM 0 H LEU A 88 8.831 3.601 -6.234 1.00 0.00 H new ATOM 0 HA LEU A 88 8.446 1.241 -7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.982 1.830 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.941 0.234 -5.590 1.00 0.00 H new ATOM 0 HG LEU A 88 10.368 2.057 -5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.249 0.444 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.764 1.234 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.701 -0.433 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.593 0.060 -6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.058 -0.831 -6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.360 0.569 -7.466 1.00 0.00 H new ATOM 1379 N VAL A 89 5.832 2.819 -6.564 1.00 0.00 N ATOM 1380 CA VAL A 89 4.380 2.936 -6.658 1.00 0.00 C ATOM 1381 C VAL A 89 3.964 3.382 -8.057 1.00 0.00 C ATOM 1382 O VAL A 89 2.871 3.061 -8.516 1.00 0.00 O ATOM 1383 CB VAL A 89 3.773 3.871 -5.584 1.00 0.00 C ATOM 1384 CG1 VAL A 89 4.125 3.378 -4.192 1.00 0.00 C ATOM 1385 CG2 VAL A 89 4.222 5.310 -5.766 1.00 0.00 C ATOM 0 H VAL A 89 6.279 3.547 -6.006 1.00 0.00 H new ATOM 0 HA VAL A 89 3.978 1.941 -6.465 1.00 0.00 H new ATOM 0 HB VAL A 89 2.690 3.849 -5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.691 4.046 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.729 2.372 -4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.209 3.361 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.773 5.932 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.308 5.365 -5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.908 5.668 -6.746 1.00 0.00 H new ATOM 1395 N TYR A 90 4.840 4.147 -8.712 1.00 0.00 N ATOM 1396 CA TYR A 90 4.629 4.594 -10.093 1.00 0.00 C ATOM 1397 C TYR A 90 4.292 3.413 -11.016 1.00 0.00 C ATOM 1398 O TYR A 90 3.598 3.576 -12.020 1.00 0.00 O ATOM 1399 CB TYR A 90 5.890 5.313 -10.590 1.00 0.00 C ATOM 1400 CG TYR A 90 5.723 6.057 -11.899 1.00 0.00 C ATOM 1401 CD1 TYR A 90 4.922 7.188 -11.982 1.00 0.00 C ATOM 1402 CD2 TYR A 90 6.378 5.636 -13.048 1.00 0.00 C ATOM 1403 CE1 TYR A 90 4.778 7.875 -13.173 1.00 0.00 C ATOM 1404 CE2 TYR A 90 6.240 6.318 -14.240 1.00 0.00 C ATOM 1405 CZ TYR A 90 5.439 7.436 -14.297 1.00 0.00 C ATOM 1406 OH TYR A 90 5.297 8.115 -15.485 1.00 0.00 O ATOM 0 H TYR A 90 5.715 4.474 -8.302 1.00 0.00 H new ATOM 0 HA TYR A 90 3.782 5.280 -10.112 1.00 0.00 H new ATOM 0 HB2 TYR A 90 6.214 6.019 -9.826 1.00 0.00 H new ATOM 0 HB3 TYR A 90 6.688 4.580 -10.704 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.403 7.537 -11.102 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.007 4.759 -13.009 1.00 0.00 H new ATOM 0 HE1 TYR A 90 4.150 8.752 -13.221 1.00 0.00 H new ATOM 0 HE2 TYR A 90 6.758 5.976 -15.124 1.00 0.00 H new ATOM 0 HH TYR A 90 5.831 7.675 -16.179 1.00 0.00 H new ATOM 1416 N LEU A 91 4.788 2.226 -10.661 1.00 0.00 N ATOM 1417 CA LEU A 91 4.475 0.998 -11.393 1.00 0.00 C ATOM 1418 C LEU A 91 2.984 0.676 -11.315 1.00 0.00 C ATOM 1419 O LEU A 91 2.402 0.127 -12.253 1.00 0.00 O ATOM 1420 CB LEU A 91 5.275 -0.176 -10.821 1.00 0.00 C ATOM 1421 CG LEU A 91 6.765 -0.190 -11.164 1.00 0.00 C ATOM 1422 CD1 LEU A 91 7.503 -1.181 -10.278 1.00 0.00 C ATOM 1423 CD2 LEU A 91 6.962 -0.548 -12.628 1.00 0.00 C ATOM 0 H LEU A 91 5.412 2.090 -9.866 1.00 0.00 H new ATOM 0 HA LEU A 91 4.746 1.154 -12.437 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.170 -0.169 -9.736 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.830 -1.104 -11.178 1.00 0.00 H new ATOM 0 HG LEU A 91 7.172 0.805 -10.987 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.562 -1.179 -10.534 1.00 0.00 H new ATOM 0 HD12 LEU A 91 7.382 -0.895 -9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.094 -2.180 -10.431 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.027 -0.555 -12.861 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.542 -1.535 -12.821 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.459 0.189 -13.254 1.00 0.00 H new ATOM 1435 N ARG A 92 2.373 1.027 -10.192 1.00 0.00 N ATOM 1436 CA ARG A 92 0.970 0.729 -9.951 1.00 0.00 C ATOM 1437 C ARG A 92 0.084 1.847 -10.492 1.00 0.00 C ATOM 1438 O ARG A 92 -0.932 1.587 -11.142 1.00 0.00 O ATOM 1439 CB ARG A 92 0.722 0.523 -8.454 1.00 0.00 C ATOM 1440 CG ARG A 92 1.533 -0.623 -7.863 1.00 0.00 C ATOM 1441 CD ARG A 92 1.288 -0.790 -6.370 1.00 0.00 C ATOM 1442 NE ARG A 92 -0.095 -1.161 -6.067 1.00 0.00 N ATOM 1443 CZ ARG A 92 -0.455 -1.903 -5.017 1.00 0.00 C ATOM 1444 NH1 ARG A 92 0.465 -2.402 -4.198 1.00 0.00 N ATOM 1445 NH2 ARG A 92 -1.737 -2.157 -4.792 1.00 0.00 N ATOM 0 H ARG A 92 2.833 1.523 -9.428 1.00 0.00 H new ATOM 0 HA ARG A 92 0.715 -0.192 -10.475 1.00 0.00 H new ATOM 0 HB2 ARG A 92 0.965 1.443 -7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -0.338 0.331 -8.291 1.00 0.00 H new ATOM 0 HG2 ARG A 92 1.278 -1.550 -8.377 1.00 0.00 H new ATOM 0 HG3 ARG A 92 2.594 -0.443 -8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 92 1.960 -1.554 -5.978 1.00 0.00 H new ATOM 0 HD3 ARG A 92 1.531 0.141 -5.859 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.828 -0.833 -6.696 1.00 0.00 H new ATOM 0 HH11 ARG A 92 1.454 -2.219 -4.370 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.182 -2.968 -3.398 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.449 -1.785 -5.421 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.011 -2.724 -3.990 1.00 0.00 H new ATOM 1459 N ARG A 93 0.473 3.089 -10.227 1.00 0.00 N ATOM 1460 CA ARG A 93 -0.247 4.247 -10.743 1.00 0.00 C ATOM 1461 C ARG A 93 0.589 5.506 -10.554 1.00 0.00 C ATOM 1462 O ARG A 93 1.512 5.532 -9.744 1.00 0.00 O ATOM 1463 CB ARG A 93 -1.592 4.428 -10.030 1.00 0.00 C ATOM 1464 CG ARG A 93 -2.627 5.172 -10.863 1.00 0.00 C ATOM 1465 CD ARG A 93 -3.675 5.851 -9.995 1.00 0.00 C ATOM 1466 NE ARG A 93 -3.299 7.225 -9.659 1.00 0.00 N ATOM 1467 CZ ARG A 93 -3.785 7.904 -8.619 1.00 0.00 C ATOM 1468 NH1 ARG A 93 -4.561 7.304 -7.727 1.00 0.00 N ATOM 1469 NH2 ARG A 93 -3.468 9.182 -8.458 1.00 0.00 N ATOM 0 H ARG A 93 1.286 3.320 -9.656 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.433 4.078 -11.804 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.988 3.448 -9.764 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.430 4.970 -9.098 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.127 5.919 -11.479 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.116 4.474 -11.542 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.632 5.854 -10.517 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.814 5.278 -9.078 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.621 7.694 -10.260 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.790 6.316 -7.833 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.929 7.831 -6.935 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.854 9.644 -9.129 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.839 9.703 -7.663 1.00 0.00 H new ATOM 1483 N GLN A 94 0.260 6.544 -11.302 1.00 0.00 N ATOM 1484 CA GLN A 94 0.929 7.826 -11.162 1.00 0.00 C ATOM 1485 C GLN A 94 -0.030 8.867 -10.595 1.00 0.00 C ATOM 1486 O GLN A 94 -1.248 8.715 -10.704 1.00 0.00 O ATOM 1487 CB GLN A 94 1.487 8.277 -12.511 1.00 0.00 C ATOM 1488 CG GLN A 94 0.482 8.230 -13.647 1.00 0.00 C ATOM 1489 CD GLN A 94 1.104 8.605 -14.976 1.00 0.00 C ATOM 1490 OE1 GLN A 94 1.622 7.752 -15.694 1.00 0.00 O ATOM 1491 NE2 GLN A 94 1.050 9.880 -15.313 1.00 0.00 N ATOM 0 H GLN A 94 -0.469 6.524 -12.015 1.00 0.00 H new ATOM 0 HA GLN A 94 1.760 7.716 -10.465 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.862 9.296 -12.414 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.339 7.647 -12.768 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.060 7.227 -13.715 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.342 8.909 -13.429 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.611 10.555 -14.687 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.448 10.190 -16.199 1.00 0.00 H new ATOM 1500 N ASP A 95 0.524 9.907 -9.973 1.00 0.00 N ATOM 1501 CA ASP A 95 -0.283 10.968 -9.364 1.00 0.00 C ATOM 1502 C ASP A 95 -1.130 11.683 -10.408 1.00 0.00 C ATOM 1503 O ASP A 95 -2.351 11.522 -10.449 1.00 0.00 O ATOM 1504 CB ASP A 95 0.611 11.982 -8.640 1.00 0.00 C ATOM 1505 CG ASP A 95 -0.163 13.189 -8.137 1.00 0.00 C ATOM 1506 OD1 ASP A 95 -1.172 12.998 -7.424 1.00 0.00 O ATOM 1507 OD2 ASP A 95 0.240 14.333 -8.445 1.00 0.00 O ATOM 0 H ASP A 95 1.531 10.039 -9.877 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.948 10.499 -8.639 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.101 11.493 -7.798 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.398 12.316 -9.317 1.00 0.00 H new ATOM 1512 N LEU A 96 -0.477 12.474 -11.244 1.00 0.00 N ATOM 1513 CA LEU A 96 -1.160 13.187 -12.311 1.00 0.00 C ATOM 1514 C LEU A 96 -1.375 12.261 -13.497 1.00 0.00 C ATOM 1515 O LEU A 96 -0.572 11.355 -13.720 1.00 0.00 O ATOM 1516 CB LEU A 96 -0.333 14.399 -12.747 1.00 0.00 C ATOM 1517 CG LEU A 96 -0.127 15.472 -11.679 1.00 0.00 C ATOM 1518 CD1 LEU A 96 0.838 16.534 -12.179 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -1.458 16.100 -11.293 1.00 0.00 C ATOM 0 H LEU A 96 0.529 12.639 -11.204 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.127 13.530 -11.942 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.644 14.050 -13.080 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.818 14.857 -13.609 1.00 0.00 H new ATOM 0 HG LEU A 96 0.302 15.004 -10.793 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.976 17.292 -11.408 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.798 16.073 -12.410 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.433 16.999 -13.078 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.293 16.862 -10.531 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.913 16.557 -12.172 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.123 15.331 -10.899 1.00 0.00 H new ATOM 1531 N PRO A 97 -2.462 12.462 -14.263 1.00 0.00 N ATOM 1532 CA PRO A 97 -2.703 11.708 -15.499 1.00 0.00 C ATOM 1533 C PRO A 97 -1.522 11.834 -16.453 1.00 0.00 C ATOM 1534 O PRO A 97 -1.131 10.873 -17.113 1.00 0.00 O ATOM 1535 CB PRO A 97 -3.950 12.372 -16.089 1.00 0.00 C ATOM 1536 CG PRO A 97 -4.637 12.992 -14.921 1.00 0.00 C ATOM 1537 CD PRO A 97 -3.546 13.420 -13.980 1.00 0.00 C ATOM 0 HA PRO A 97 -2.833 10.640 -15.323 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -3.684 13.121 -16.835 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.591 11.642 -16.584 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.242 13.844 -15.231 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.310 12.281 -14.441 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.234 14.448 -14.166 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.868 13.368 -12.940 1.00 0.00 H new ATOM 1545 N GLU A 98 -0.965 13.037 -16.504 1.00 0.00 N ATOM 1546 CA GLU A 98 0.271 13.302 -17.221 1.00 0.00 C ATOM 1547 C GLU A 98 1.232 14.040 -16.300 1.00 0.00 C ATOM 1548 O GLU A 98 1.069 15.236 -16.050 1.00 0.00 O ATOM 1549 CB GLU A 98 0.002 14.131 -18.481 1.00 0.00 C ATOM 1550 CG GLU A 98 -0.668 13.347 -19.598 1.00 0.00 C ATOM 1551 CD GLU A 98 0.284 12.403 -20.310 1.00 0.00 C ATOM 1552 OE1 GLU A 98 0.945 11.585 -19.638 1.00 0.00 O ATOM 1553 OE2 GLU A 98 0.361 12.463 -21.557 1.00 0.00 O ATOM 0 H GLU A 98 -1.361 13.858 -16.047 1.00 0.00 H new ATOM 0 HA GLU A 98 0.714 12.355 -17.531 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.627 14.981 -18.218 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.946 14.534 -18.848 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.499 12.774 -19.186 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.090 14.044 -20.322 1.00 0.00 H new ATOM 1560 N ILE A 99 2.210 13.322 -15.767 1.00 0.00 N ATOM 1561 CA ILE A 99 3.164 13.915 -14.842 1.00 0.00 C ATOM 1562 C ILE A 99 4.252 14.651 -15.606 1.00 0.00 C ATOM 1563 O ILE A 99 5.081 14.036 -16.281 1.00 0.00 O ATOM 1564 CB ILE A 99 3.804 12.863 -13.911 1.00 0.00 C ATOM 1565 CG1 ILE A 99 2.730 12.197 -13.050 1.00 0.00 C ATOM 1566 CG2 ILE A 99 4.872 13.504 -13.033 1.00 0.00 C ATOM 1567 CD1 ILE A 99 3.278 11.193 -12.059 1.00 0.00 C ATOM 0 H ILE A 99 2.363 12.332 -15.958 1.00 0.00 H new ATOM 0 HA ILE A 99 2.611 14.618 -14.219 1.00 0.00 H new ATOM 0 HB ILE A 99 4.281 12.099 -14.525 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.183 12.968 -12.507 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.014 11.697 -13.702 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.312 12.747 -12.384 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.649 13.937 -13.663 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.420 14.287 -12.424 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.457 10.763 -11.485 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.800 10.400 -12.595 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.972 11.691 -11.382 1.00 0.00 H new ATOM 1579 N THR A 100 4.236 15.968 -15.503 1.00 0.00 N ATOM 1580 CA THR A 100 5.169 16.796 -16.233 1.00 0.00 C ATOM 1581 C THR A 100 5.988 17.681 -15.305 1.00 0.00 C ATOM 1582 O THR A 100 5.559 18.024 -14.201 1.00 0.00 O ATOM 1583 CB THR A 100 4.433 17.687 -17.251 1.00 0.00 C ATOM 1584 OG1 THR A 100 3.347 18.367 -16.608 1.00 0.00 O ATOM 1585 CG2 THR A 100 3.907 16.865 -18.417 1.00 0.00 C ATOM 0 H THR A 100 3.582 16.486 -14.916 1.00 0.00 H new ATOM 0 HA THR A 100 5.844 16.119 -16.757 1.00 0.00 H new ATOM 0 HB THR A 100 5.142 18.418 -17.639 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.884 18.933 -17.260 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.392 17.519 -19.120 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.740 16.374 -18.921 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.212 16.111 -18.047 1.00 0.00 H new ATOM 1593 N ALA A 101 7.171 18.026 -15.770 1.00 0.00 N ATOM 1594 CA ALA A 101 8.015 19.004 -15.119 1.00 0.00 C ATOM 1595 C ALA A 101 8.515 19.979 -16.171 1.00 0.00 C ATOM 1596 O ALA A 101 9.156 19.580 -17.145 1.00 0.00 O ATOM 1597 CB ALA A 101 9.179 18.333 -14.407 1.00 0.00 C ATOM 0 H ALA A 101 7.577 17.631 -16.619 1.00 0.00 H new ATOM 0 HA ALA A 101 7.441 19.538 -14.362 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.797 19.091 -13.926 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.797 17.645 -13.653 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.779 17.781 -15.131 1.00 0.00 H new ATOM 1603 N GLN A 102 8.196 21.245 -15.995 1.00 0.00 N ATOM 1604 CA GLN A 102 8.516 22.249 -16.993 1.00 0.00 C ATOM 1605 C GLN A 102 9.609 23.183 -16.503 1.00 0.00 C ATOM 1606 O GLN A 102 9.788 23.362 -15.297 1.00 0.00 O ATOM 1607 CB GLN A 102 7.265 23.029 -17.396 1.00 0.00 C ATOM 1608 CG GLN A 102 6.524 23.661 -16.233 1.00 0.00 C ATOM 1609 CD GLN A 102 5.219 24.295 -16.663 1.00 0.00 C ATOM 1610 OE1 GLN A 102 4.252 24.331 -15.900 1.00 0.00 O ATOM 1611 NE2 GLN A 102 5.184 24.806 -17.884 1.00 0.00 N ATOM 0 H GLN A 102 7.715 21.605 -15.170 1.00 0.00 H new ATOM 0 HA GLN A 102 8.894 21.736 -17.877 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.549 23.812 -18.099 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.586 22.358 -17.923 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.325 22.902 -15.476 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.157 24.417 -15.769 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.008 24.754 -18.482 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.333 25.252 -18.226 1.00 0.00 H new ATOM 1620 N ARG A 103 10.363 23.722 -17.456 1.00 0.00 N ATOM 1621 CA ARG A 103 11.480 24.619 -17.176 1.00 0.00 C ATOM 1622 C ARG A 103 11.119 25.685 -16.149 1.00 0.00 C ATOM 1623 O ARG A 103 10.238 26.519 -16.371 1.00 0.00 O ATOM 1624 CB ARG A 103 11.955 25.278 -18.470 1.00 0.00 C ATOM 1625 CG ARG A 103 12.818 24.367 -19.325 1.00 0.00 C ATOM 1626 CD ARG A 103 14.181 24.153 -18.686 1.00 0.00 C ATOM 1627 NE ARG A 103 14.960 25.390 -18.660 1.00 0.00 N ATOM 1628 CZ ARG A 103 15.610 25.854 -17.593 1.00 0.00 C ATOM 1629 NH1 ARG A 103 15.534 25.225 -16.428 1.00 0.00 N ATOM 1630 NH2 ARG A 103 16.322 26.966 -17.686 1.00 0.00 N ATOM 0 H ARG A 103 10.216 23.548 -18.450 1.00 0.00 H new ATOM 0 HA ARG A 103 12.284 24.018 -16.752 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.087 25.594 -19.049 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.519 26.178 -18.226 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.320 23.407 -19.458 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.941 24.802 -20.317 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.053 23.781 -17.670 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.727 23.389 -19.239 1.00 0.00 H new ATOM 0 HE ARG A 103 15.010 25.937 -19.520 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.974 24.377 -16.342 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.036 25.589 -15.618 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.373 27.466 -18.573 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.820 27.322 -16.870 1.00 0.00 H new ATOM 1644 N GLN A 104 11.812 25.639 -15.023 1.00 0.00 N ATOM 1645 CA GLN A 104 11.593 26.587 -13.946 1.00 0.00 C ATOM 1646 C GLN A 104 12.374 27.873 -14.200 1.00 0.00 C ATOM 1647 O GLN A 104 13.567 27.967 -13.915 1.00 0.00 O ATOM 1648 CB GLN A 104 11.976 25.960 -12.600 1.00 0.00 C ATOM 1649 CG GLN A 104 13.336 25.279 -12.599 1.00 0.00 C ATOM 1650 CD GLN A 104 13.638 24.587 -11.288 1.00 0.00 C ATOM 1651 OE1 GLN A 104 14.218 25.178 -10.378 1.00 0.00 O ATOM 1652 NE2 GLN A 104 13.245 23.327 -11.181 1.00 0.00 N ATOM 0 H GLN A 104 12.537 24.948 -14.832 1.00 0.00 H new ATOM 0 HA GLN A 104 10.534 26.842 -13.910 1.00 0.00 H new ATOM 0 HB2 GLN A 104 11.969 26.736 -11.834 1.00 0.00 H new ATOM 0 HB3 GLN A 104 11.216 25.230 -12.321 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.374 24.549 -13.408 1.00 0.00 H new ATOM 0 HG3 GLN A 104 14.110 26.020 -12.801 1.00 0.00 H new ATOM 0 HE21 GLN A 104 12.767 22.874 -11.960 1.00 0.00 H new ATOM 0 HE22 GLN A 104 13.420 22.809 -10.320 1.00 0.00 H new ATOM 1661 N LEU A 105 11.690 28.853 -14.768 1.00 0.00 N ATOM 1662 CA LEU A 105 12.313 30.121 -15.121 1.00 0.00 C ATOM 1663 C LEU A 105 11.920 31.214 -14.133 1.00 0.00 C ATOM 1664 O LEU A 105 11.997 32.405 -14.443 1.00 0.00 O ATOM 1665 CB LEU A 105 11.905 30.523 -16.542 1.00 0.00 C ATOM 1666 CG LEU A 105 12.320 29.538 -17.639 1.00 0.00 C ATOM 1667 CD1 LEU A 105 11.787 29.987 -18.989 1.00 0.00 C ATOM 1668 CD2 LEU A 105 13.834 29.397 -17.685 1.00 0.00 C ATOM 0 H LEU A 105 10.698 28.795 -14.996 1.00 0.00 H new ATOM 0 HA LEU A 105 13.395 29.998 -15.079 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.822 30.642 -16.573 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.339 31.497 -16.766 1.00 0.00 H new ATOM 0 HG LEU A 105 11.890 28.564 -17.406 1.00 0.00 H new ATOM 0 HD11 LEU A 105 12.092 29.275 -19.756 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.699 30.037 -18.952 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.187 30.972 -19.229 1.00 0.00 H new ATOM 0 HD21 LEU A 105 14.110 28.693 -18.470 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.284 30.368 -17.893 1.00 0.00 H new ATOM 0 HD23 LEU A 105 14.194 29.029 -16.725 1.00 0.00 H new ATOM 1680 N ARG A 106 11.514 30.810 -12.939 1.00 0.00 N ATOM 1681 CA ARG A 106 11.103 31.760 -11.916 1.00 0.00 C ATOM 1682 C ARG A 106 12.301 32.139 -11.053 1.00 0.00 C ATOM 1683 O ARG A 106 12.791 33.280 -11.175 1.00 0.00 O ATOM 1684 CB ARG A 106 9.981 31.193 -11.033 1.00 0.00 C ATOM 1685 CG ARG A 106 8.698 30.846 -11.781 1.00 0.00 C ATOM 1686 CD ARG A 106 8.758 29.462 -12.413 1.00 0.00 C ATOM 1687 NE ARG A 106 8.929 28.411 -11.408 1.00 0.00 N ATOM 1688 CZ ARG A 106 8.568 27.138 -11.575 1.00 0.00 C ATOM 1689 NH1 ARG A 106 8.026 26.729 -12.720 1.00 0.00 N ATOM 1690 NH2 ARG A 106 8.758 26.272 -10.589 1.00 0.00 N ATOM 1691 OXT ARG A 106 12.772 31.278 -10.282 1.00 0.00 O ATOM 0 H ARG A 106 11.460 29.832 -12.655 1.00 0.00 H new ATOM 0 HA ARG A 106 10.716 32.646 -12.418 1.00 0.00 H new ATOM 0 HB2 ARG A 106 10.348 30.297 -10.533 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.747 31.919 -10.255 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.854 30.893 -11.093 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.519 31.590 -12.557 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.843 29.280 -12.977 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.583 29.423 -13.124 1.00 0.00 H new ATOM 0 HE ARG A 106 9.354 28.671 -10.518 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.883 27.392 -13.482 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.754 25.753 -12.835 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.177 26.582 -9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.485 25.296 -10.707 1.00 0.00 H new TER 1705 ARG A 106