USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 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 14 SER OG : rot 180:sc= 0.96 USER MOD Set 1.2: A 113 ASN : amide:sc= 1.12 X(o=2.1,f=1.6) USER MOD Single : A 1 ALA N :NH3+ -119:sc= 0.127 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 43:sc= 0.344 USER MOD Single : A 6 THR OG1 : rot 39:sc= 0.734 USER MOD Single : A 8 THR OG1 : rot -170:sc= 0 USER MOD Single : A 10 SER OG : rot -108:sc= -0.615 USER MOD Single : A 11 SER OG : rot 130:sc= -0.453 USER MOD Single : A 17 THR OG1 : rot 113:sc= 1.24 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.224 K(o=-0.22,f=-0.74) USER MOD Single : A 30 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.186 USER MOD Single : A 36 GLN : amide:sc= 1.23 K(o=1.2,f=-7.3!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.722 K(o=-0.72,f=-9.6!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0664 USER MOD Single : A 54 SER OG : rot -107:sc= 1.2 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 62 SER OG : rot 41:sc= 0.401 USER MOD Single : A 64 SER OG : rot 1:sc= 0.84 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0864 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -70:sc= 1.21 USER MOD Single : A 81 THR OG1 : rot 110:sc= 1.21 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 121:sc= 0.878 USER MOD Single : A 90 THR OG1 : rot -43:sc= 0.111 USER MOD Single : A 94 GLN : amide:sc= 0.0964 K(o=0.096,f=-1.9!) USER MOD Single : A 98 SER OG : rot -1:sc= 0.963 USER MOD Single : A 103 ASN : amide:sc= -0.0487 K(o=-0.049,f=-1.5!) USER MOD Single : A 111 SER OG : rot 180:sc= -0.01 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.255 6.107 15.447 1.00 0.00 N ATOM 2 CA ALA A 1 -16.121 4.908 15.491 1.00 0.00 C ATOM 3 C ALA A 1 -15.304 3.655 15.203 1.00 0.00 C ATOM 4 O ALA A 1 -14.104 3.739 14.934 1.00 0.00 O ATOM 5 CB ALA A 1 -17.266 5.039 14.497 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.264 6.576 16.375 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.282 5.824 15.211 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.609 6.765 14.723 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.545 4.823 16.492 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.892 4.148 14.544 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.864 5.916 14.744 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.863 5.147 13.490 1.00 0.00 H new ATOM 11 N ALA A 2 -15.953 2.500 15.267 1.00 0.00 N ATOM 12 CA ALA A 2 -15.285 1.233 15.018 1.00 0.00 C ATOM 13 C ALA A 2 -15.110 0.986 13.524 1.00 0.00 C ATOM 14 O ALA A 2 -16.094 0.886 12.785 1.00 0.00 O ATOM 15 CB ALA A 2 -16.068 0.090 15.649 1.00 0.00 C ATOM 0 H ALA A 2 -16.945 2.416 15.490 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.295 1.281 15.472 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.556 -0.853 15.455 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.140 0.249 16.725 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -17.069 0.054 15.220 1.00 0.00 H new ATOM 21 N PRO A 3 -13.857 0.907 13.059 1.00 0.00 N ATOM 22 CA PRO A 3 -13.551 0.656 11.658 1.00 0.00 C ATOM 23 C PRO A 3 -13.530 -0.839 11.358 1.00 0.00 C ATOM 24 O PRO A 3 -13.585 -1.660 12.274 1.00 0.00 O ATOM 25 CB PRO A 3 -12.160 1.266 11.504 1.00 0.00 C ATOM 26 CG PRO A 3 -11.520 1.102 12.842 1.00 0.00 C ATOM 27 CD PRO A 3 -12.632 1.065 13.863 1.00 0.00 C ATOM 0 HA PRO A 3 -14.287 1.077 10.973 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.589 0.757 10.728 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.218 2.317 11.220 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.933 0.185 12.878 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.837 1.926 13.046 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.504 0.237 14.561 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.660 1.980 14.455 1.00 0.00 H new ATOM 35 N THR A 4 -13.455 -1.194 10.087 1.00 0.00 N ATOM 36 CA THR A 4 -13.431 -2.594 9.698 1.00 0.00 C ATOM 37 C THR A 4 -12.365 -2.855 8.637 1.00 0.00 C ATOM 38 O THR A 4 -12.564 -2.570 7.454 1.00 0.00 O ATOM 39 CB THR A 4 -14.808 -3.046 9.175 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.666 -1.906 9.007 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.452 -4.032 10.135 1.00 0.00 C ATOM 0 H THR A 4 -13.410 -0.536 9.309 1.00 0.00 H new ATOM 0 HA THR A 4 -13.185 -3.173 10.588 1.00 0.00 H new ATOM 0 HB THR A 4 -14.665 -3.539 8.213 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.161 -1.175 8.594 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.423 -4.338 9.746 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.812 -4.908 10.241 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.584 -3.559 11.108 1.00 0.00 H new ATOM 49 N ALA A 5 -11.229 -3.380 9.065 1.00 0.00 N ATOM 50 CA ALA A 5 -10.139 -3.676 8.148 1.00 0.00 C ATOM 51 C ALA A 5 -10.075 -5.169 7.861 1.00 0.00 C ATOM 52 O ALA A 5 -9.913 -5.983 8.773 1.00 0.00 O ATOM 53 CB ALA A 5 -8.813 -3.182 8.708 1.00 0.00 C ATOM 0 H ALA A 5 -11.037 -3.610 10.040 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.329 -3.152 7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.012 -3.414 8.006 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.861 -2.104 8.860 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.614 -3.674 9.660 1.00 0.00 H new ATOM 59 N THR A 6 -10.218 -5.523 6.595 1.00 0.00 N ATOM 60 CA THR A 6 -10.176 -6.914 6.177 1.00 0.00 C ATOM 61 C THR A 6 -9.158 -7.107 5.056 1.00 0.00 C ATOM 62 O THR A 6 -9.522 -7.350 3.906 1.00 0.00 O ATOM 63 CB THR A 6 -11.565 -7.387 5.701 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.318 -6.271 5.193 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.330 -8.045 6.839 1.00 0.00 C ATOM 0 H THR A 6 -10.365 -4.860 5.834 1.00 0.00 H new ATOM 0 HA THR A 6 -9.877 -7.512 7.038 1.00 0.00 H new ATOM 0 HB THR A 6 -11.423 -8.120 4.907 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.723 -5.677 4.690 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.306 -8.371 6.481 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.771 -8.907 7.203 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.462 -7.329 7.651 1.00 0.00 H new ATOM 73 N VAL A 7 -7.883 -6.990 5.388 1.00 0.00 N ATOM 74 CA VAL A 7 -6.832 -7.136 4.396 1.00 0.00 C ATOM 75 C VAL A 7 -6.136 -8.485 4.537 1.00 0.00 C ATOM 76 O VAL A 7 -5.880 -8.951 5.650 1.00 0.00 O ATOM 77 CB VAL A 7 -5.798 -5.994 4.496 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.430 -4.674 4.083 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.226 -5.893 5.903 1.00 0.00 C ATOM 0 H VAL A 7 -7.552 -6.795 6.333 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.303 -7.084 3.414 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.977 -6.219 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.690 -3.877 4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.783 -4.746 3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.271 -4.452 4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.501 -5.080 5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.032 -5.696 6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.735 -6.831 6.164 1.00 0.00 H new ATOM 89 N THR A 8 -5.857 -9.121 3.408 1.00 0.00 N ATOM 90 CA THR A 8 -5.197 -10.418 3.407 1.00 0.00 C ATOM 91 C THR A 8 -3.731 -10.280 3.016 1.00 0.00 C ATOM 92 O THR A 8 -3.415 -9.945 1.873 1.00 0.00 O ATOM 93 CB THR A 8 -5.882 -11.385 2.428 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.290 -11.126 2.395 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.639 -12.830 2.833 1.00 0.00 C ATOM 0 H THR A 8 -6.078 -8.759 2.480 1.00 0.00 H new ATOM 0 HA THR A 8 -5.268 -10.818 4.419 1.00 0.00 H new ATOM 0 HB THR A 8 -5.457 -11.227 1.437 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.742 -11.839 1.897 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.134 -13.495 2.125 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.568 -13.033 2.833 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.041 -13.000 3.832 1.00 0.00 H new ATOM 103 N PRO A 9 -2.817 -10.520 3.966 1.00 0.00 N ATOM 104 CA PRO A 9 -1.378 -10.427 3.711 1.00 0.00 C ATOM 105 C PRO A 9 -0.862 -11.612 2.898 1.00 0.00 C ATOM 106 O PRO A 9 -1.366 -12.730 3.023 1.00 0.00 O ATOM 107 CB PRO A 9 -0.770 -10.436 5.114 1.00 0.00 C ATOM 108 CG PRO A 9 -1.757 -11.165 5.960 1.00 0.00 C ATOM 109 CD PRO A 9 -3.112 -10.902 5.362 1.00 0.00 C ATOM 0 HA PRO A 9 -1.120 -9.544 3.127 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.199 -10.935 5.120 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.609 -9.422 5.481 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.541 -12.233 5.975 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.715 -10.817 6.992 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.747 -11.786 5.408 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.635 -10.106 5.892 1.00 0.00 H new ATOM 117 N SER A 10 0.145 -11.367 2.073 1.00 0.00 N ATOM 118 CA SER A 10 0.728 -12.410 1.242 1.00 0.00 C ATOM 119 C SER A 10 1.834 -13.156 1.992 1.00 0.00 C ATOM 120 O SER A 10 2.827 -13.580 1.401 1.00 0.00 O ATOM 121 CB SER A 10 1.279 -11.783 -0.039 1.00 0.00 C ATOM 122 OG SER A 10 0.492 -10.665 -0.426 1.00 0.00 O ATOM 0 H SER A 10 0.577 -10.450 1.961 1.00 0.00 H new ATOM 0 HA SER A 10 -0.046 -13.135 0.989 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.312 -11.471 0.117 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.287 -12.524 -0.839 1.00 0.00 H new ATOM 0 HG SER A 10 -0.032 -10.894 -1.222 1.00 0.00 H new ATOM 128 N SER A 11 1.645 -13.322 3.293 1.00 0.00 N ATOM 129 CA SER A 11 2.612 -14.002 4.136 1.00 0.00 C ATOM 130 C SER A 11 2.729 -15.473 3.754 1.00 0.00 C ATOM 131 O SER A 11 1.762 -16.230 3.848 1.00 0.00 O ATOM 132 CB SER A 11 2.196 -13.855 5.598 1.00 0.00 C ATOM 133 OG SER A 11 1.750 -12.533 5.856 1.00 0.00 O ATOM 0 H SER A 11 0.819 -12.990 3.791 1.00 0.00 H new ATOM 0 HA SER A 11 3.592 -13.547 3.993 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.402 -14.565 5.830 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.038 -14.095 6.248 1.00 0.00 H new ATOM 0 HG SER A 11 0.883 -12.563 6.312 1.00 0.00 H new ATOM 139 N GLY A 12 3.912 -15.861 3.300 1.00 0.00 N ATOM 140 CA GLY A 12 4.152 -17.235 2.912 1.00 0.00 C ATOM 141 C GLY A 12 4.062 -17.434 1.413 1.00 0.00 C ATOM 142 O GLY A 12 4.393 -18.503 0.895 1.00 0.00 O ATOM 0 H GLY A 12 4.716 -15.242 3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.139 -17.541 3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.427 -17.882 3.406 1.00 0.00 H new ATOM 146 N LEU A 13 3.626 -16.402 0.712 1.00 0.00 N ATOM 147 CA LEU A 13 3.479 -16.470 -0.734 1.00 0.00 C ATOM 148 C LEU A 13 4.675 -15.834 -1.430 1.00 0.00 C ATOM 149 O LEU A 13 5.380 -15.017 -0.845 1.00 0.00 O ATOM 150 CB LEU A 13 2.177 -15.788 -1.158 1.00 0.00 C ATOM 151 CG LEU A 13 0.901 -16.512 -0.717 1.00 0.00 C ATOM 152 CD1 LEU A 13 -0.207 -15.515 -0.415 1.00 0.00 C ATOM 153 CD2 LEU A 13 0.455 -17.499 -1.785 1.00 0.00 C ATOM 0 H LEU A 13 3.367 -15.504 1.121 1.00 0.00 H new ATOM 0 HA LEU A 13 3.438 -17.517 -1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.164 -14.777 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.169 -15.695 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 13 1.119 -17.065 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.104 -16.051 -0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.113 -14.847 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.425 -14.931 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.453 -18.005 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.256 -16.965 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.241 -18.235 -1.951 1.00 0.00 H new ATOM 165 N SER A 14 4.908 -16.232 -2.671 1.00 0.00 N ATOM 166 CA SER A 14 6.025 -15.716 -3.451 1.00 0.00 C ATOM 167 C SER A 14 5.685 -14.358 -4.066 1.00 0.00 C ATOM 168 O SER A 14 4.611 -13.804 -3.822 1.00 0.00 O ATOM 169 CB SER A 14 6.392 -16.715 -4.550 1.00 0.00 C ATOM 170 OG SER A 14 6.458 -18.037 -4.039 1.00 0.00 O ATOM 0 H SER A 14 4.334 -16.916 -3.164 1.00 0.00 H new ATOM 0 HA SER A 14 6.877 -15.581 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.653 -16.668 -5.350 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.353 -16.443 -4.987 1.00 0.00 H new ATOM 0 HG SER A 14 6.693 -18.656 -4.762 1.00 0.00 H new ATOM 176 N ASP A 15 6.605 -13.822 -4.860 1.00 0.00 N ATOM 177 CA ASP A 15 6.393 -12.539 -5.514 1.00 0.00 C ATOM 178 C ASP A 15 5.458 -12.707 -6.704 1.00 0.00 C ATOM 179 O ASP A 15 5.398 -13.780 -7.312 1.00 0.00 O ATOM 180 CB ASP A 15 7.721 -11.936 -5.973 1.00 0.00 C ATOM 181 CG ASP A 15 8.408 -12.764 -7.040 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.163 -12.526 -8.240 1.00 0.00 O ATOM 183 OD2 ASP A 15 9.211 -13.647 -6.682 1.00 0.00 O ATOM 0 H ASP A 15 7.504 -14.257 -5.065 1.00 0.00 H new ATOM 0 HA ASP A 15 5.938 -11.859 -4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.544 -10.932 -6.358 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.385 -11.836 -5.114 1.00 0.00 H new ATOM 188 N GLY A 16 4.730 -11.650 -7.030 1.00 0.00 N ATOM 189 CA GLY A 16 3.799 -11.707 -8.138 1.00 0.00 C ATOM 190 C GLY A 16 2.409 -12.087 -7.679 1.00 0.00 C ATOM 191 O GLY A 16 1.461 -12.078 -8.465 1.00 0.00 O ATOM 0 H GLY A 16 4.767 -10.753 -6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.766 -10.738 -8.636 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.151 -12.431 -8.873 1.00 0.00 H new ATOM 195 N THR A 17 2.297 -12.426 -6.402 1.00 0.00 N ATOM 196 CA THR A 17 1.026 -12.807 -5.819 1.00 0.00 C ATOM 197 C THR A 17 0.161 -11.570 -5.589 1.00 0.00 C ATOM 198 O THR A 17 0.650 -10.534 -5.135 1.00 0.00 O ATOM 199 CB THR A 17 1.224 -13.559 -4.486 1.00 0.00 C ATOM 200 OG1 THR A 17 2.250 -14.551 -4.634 1.00 0.00 O ATOM 201 CG2 THR A 17 -0.064 -14.232 -4.041 1.00 0.00 C ATOM 0 H THR A 17 3.080 -12.444 -5.749 1.00 0.00 H new ATOM 0 HA THR A 17 0.525 -13.476 -6.518 1.00 0.00 H new ATOM 0 HB THR A 17 1.517 -12.832 -3.728 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.026 -14.303 -4.090 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.105 -14.754 -3.099 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.840 -13.479 -3.904 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.382 -14.947 -4.800 1.00 0.00 H new ATOM 209 N VAL A 18 -1.113 -11.684 -5.921 1.00 0.00 N ATOM 210 CA VAL A 18 -2.053 -10.588 -5.766 1.00 0.00 C ATOM 211 C VAL A 18 -2.414 -10.366 -4.298 1.00 0.00 C ATOM 212 O VAL A 18 -2.822 -11.294 -3.595 1.00 0.00 O ATOM 213 CB VAL A 18 -3.335 -10.854 -6.584 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.462 -9.921 -6.168 1.00 0.00 C ATOM 215 CG2 VAL A 18 -3.053 -10.722 -8.075 1.00 0.00 C ATOM 0 H VAL A 18 -1.524 -12.535 -6.304 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.569 -9.686 -6.140 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.656 -11.875 -6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.350 -10.135 -6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.688 -10.072 -5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.157 -8.887 -6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.968 -10.913 -8.637 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.698 -9.714 -8.290 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.291 -11.445 -8.367 1.00 0.00 H new ATOM 225 N VAL A 19 -2.246 -9.131 -3.841 1.00 0.00 N ATOM 226 CA VAL A 19 -2.573 -8.769 -2.469 1.00 0.00 C ATOM 227 C VAL A 19 -4.022 -8.299 -2.397 1.00 0.00 C ATOM 228 O VAL A 19 -4.417 -7.383 -3.120 1.00 0.00 O ATOM 229 CB VAL A 19 -1.651 -7.650 -1.935 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.823 -7.482 -0.432 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.194 -7.929 -2.277 1.00 0.00 C ATOM 0 H VAL A 19 -1.884 -8.361 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.428 -9.654 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.940 -6.719 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.165 -6.689 -0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.858 -7.221 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.570 -8.416 0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.431 -7.125 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.110 -8.874 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.079 -7.988 -3.359 1.00 0.00 H new ATOM 241 N LYS A 20 -4.811 -8.929 -1.536 1.00 0.00 N ATOM 242 CA LYS A 20 -6.215 -8.572 -1.391 1.00 0.00 C ATOM 243 C LYS A 20 -6.399 -7.539 -0.289 1.00 0.00 C ATOM 244 O LYS A 20 -6.173 -7.824 0.888 1.00 0.00 O ATOM 245 CB LYS A 20 -7.063 -9.806 -1.085 1.00 0.00 C ATOM 246 CG LYS A 20 -8.557 -9.518 -1.054 1.00 0.00 C ATOM 247 CD LYS A 20 -9.354 -10.744 -0.642 1.00 0.00 C ATOM 248 CE LYS A 20 -10.848 -10.513 -0.801 1.00 0.00 C ATOM 249 NZ LYS A 20 -11.641 -11.716 -0.440 1.00 0.00 N ATOM 0 H LYS A 20 -4.503 -9.688 -0.929 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.546 -8.143 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.863 -10.571 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.759 -10.217 -0.122 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.757 -8.703 -0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.884 -9.184 -2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.050 -11.598 -1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.131 -10.993 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.154 -9.676 -0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.063 -10.233 -1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.654 -11.514 -0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.369 -12.509 -1.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.456 -11.969 0.552 1.00 0.00 H new ATOM 263 N VAL A 21 -6.807 -6.341 -0.675 1.00 0.00 N ATOM 264 CA VAL A 21 -7.033 -5.265 0.275 1.00 0.00 C ATOM 265 C VAL A 21 -8.513 -4.891 0.306 1.00 0.00 C ATOM 266 O VAL A 21 -9.100 -4.575 -0.728 1.00 0.00 O ATOM 267 CB VAL A 21 -6.197 -4.015 -0.086 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.491 -2.859 0.858 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.710 -4.342 -0.077 1.00 0.00 C ATOM 0 H VAL A 21 -6.989 -6.089 -1.646 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.723 -5.620 1.258 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.481 -3.707 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.887 -1.997 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.547 -2.598 0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.250 -3.153 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.140 -3.449 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.419 -4.686 0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.505 -5.125 -0.807 1.00 0.00 H new ATOM 279 N ALA A 22 -9.113 -4.953 1.487 1.00 0.00 N ATOM 280 CA ALA A 22 -10.519 -4.616 1.651 1.00 0.00 C ATOM 281 C ALA A 22 -10.738 -3.829 2.936 1.00 0.00 C ATOM 282 O ALA A 22 -10.516 -4.341 4.035 1.00 0.00 O ATOM 283 CB ALA A 22 -11.375 -5.876 1.651 1.00 0.00 C ATOM 0 H ALA A 22 -8.645 -5.235 2.348 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.819 -3.992 0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.423 -5.604 1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.246 -6.403 0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.069 -6.524 2.473 1.00 0.00 H new ATOM 289 N GLY A 23 -11.164 -2.585 2.795 1.00 0.00 N ATOM 290 CA GLY A 23 -11.417 -1.743 3.948 1.00 0.00 C ATOM 291 C GLY A 23 -12.860 -1.288 4.001 1.00 0.00 C ATOM 292 O GLY A 23 -13.406 -0.844 2.993 1.00 0.00 O ATOM 0 H GLY A 23 -11.341 -2.138 1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.174 -2.290 4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.762 -0.873 3.914 1.00 0.00 H new ATOM 296 N ALA A 24 -13.484 -1.412 5.165 1.00 0.00 N ATOM 297 CA ALA A 24 -14.872 -1.013 5.337 1.00 0.00 C ATOM 298 C ALA A 24 -15.006 -0.022 6.488 1.00 0.00 C ATOM 299 O ALA A 24 -14.250 -0.080 7.464 1.00 0.00 O ATOM 300 CB ALA A 24 -15.750 -2.235 5.570 1.00 0.00 C ATOM 0 H ALA A 24 -13.047 -1.788 6.007 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.207 -0.520 4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.786 -1.920 5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.677 -2.904 4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.417 -2.757 6.467 1.00 0.00 H new ATOM 306 N GLY A 25 -15.967 0.876 6.379 1.00 0.00 N ATOM 307 CA GLY A 25 -16.168 1.874 7.409 1.00 0.00 C ATOM 308 C GLY A 25 -15.271 3.071 7.196 1.00 0.00 C ATOM 309 O GLY A 25 -14.915 3.769 8.143 1.00 0.00 O ATOM 0 H GLY A 25 -16.615 0.934 5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.210 2.193 7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.968 1.436 8.387 1.00 0.00 H new ATOM 313 N LEU A 26 -14.908 3.303 5.942 1.00 0.00 N ATOM 314 CA LEU A 26 -14.042 4.414 5.581 1.00 0.00 C ATOM 315 C LEU A 26 -14.878 5.636 5.221 1.00 0.00 C ATOM 316 O LEU A 26 -16.097 5.647 5.431 1.00 0.00 O ATOM 317 CB LEU A 26 -13.145 4.021 4.403 1.00 0.00 C ATOM 318 CG LEU A 26 -12.313 2.751 4.609 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.622 2.355 3.314 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.289 2.952 5.720 1.00 0.00 C ATOM 0 H LEU A 26 -15.204 2.730 5.152 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.412 4.661 6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.770 3.887 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.468 4.849 4.191 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.984 1.945 4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.035 1.451 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.371 2.168 2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.964 3.162 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.709 2.038 5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.621 3.771 5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.804 3.190 6.651 1.00 0.00 H new ATOM 332 N GLN A 27 -14.228 6.660 4.690 1.00 0.00 N ATOM 333 CA GLN A 27 -14.919 7.878 4.298 1.00 0.00 C ATOM 334 C GLN A 27 -15.389 7.759 2.851 1.00 0.00 C ATOM 335 O GLN A 27 -14.584 7.820 1.918 1.00 0.00 O ATOM 336 CB GLN A 27 -13.999 9.092 4.469 1.00 0.00 C ATOM 337 CG GLN A 27 -14.728 10.428 4.455 1.00 0.00 C ATOM 338 CD GLN A 27 -15.725 10.571 5.592 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.559 9.986 6.662 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.769 11.352 5.372 1.00 0.00 N ATOM 0 H GLN A 27 -13.222 6.672 4.521 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.788 8.018 4.940 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.458 8.995 5.410 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.256 9.087 3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.998 11.235 4.516 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.250 10.541 3.505 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.874 11.821 4.473 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.469 11.485 6.102 1.00 0.00 H new ATOM 349 N ALA A 28 -16.690 7.575 2.677 1.00 0.00 N ATOM 350 CA ALA A 28 -17.286 7.429 1.353 1.00 0.00 C ATOM 351 C ALA A 28 -17.012 8.644 0.473 1.00 0.00 C ATOM 352 O ALA A 28 -17.074 9.788 0.934 1.00 0.00 O ATOM 353 CB ALA A 28 -18.785 7.194 1.478 1.00 0.00 C ATOM 0 H ALA A 28 -17.361 7.523 3.444 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.825 6.566 0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.220 7.086 0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.964 6.286 2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.245 8.042 1.986 1.00 0.00 H new ATOM 359 N GLY A 29 -16.701 8.389 -0.793 1.00 0.00 N ATOM 360 CA GLY A 29 -16.425 9.467 -1.726 1.00 0.00 C ATOM 361 C GLY A 29 -14.974 9.912 -1.712 1.00 0.00 C ATOM 362 O GLY A 29 -14.614 10.883 -2.378 1.00 0.00 O ATOM 0 H GLY A 29 -16.635 7.452 -1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.690 9.144 -2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.062 10.318 -1.486 1.00 0.00 H new ATOM 366 N THR A 30 -14.143 9.209 -0.958 1.00 0.00 N ATOM 367 CA THR A 30 -12.731 9.545 -0.867 1.00 0.00 C ATOM 368 C THR A 30 -11.880 8.481 -1.558 1.00 0.00 C ATOM 369 O THR A 30 -12.262 7.308 -1.609 1.00 0.00 O ATOM 370 CB THR A 30 -12.295 9.681 0.604 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.389 10.187 1.382 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.099 10.611 0.745 1.00 0.00 C ATOM 0 H THR A 30 -14.422 8.402 -0.400 1.00 0.00 H new ATOM 0 HA THR A 30 -12.582 10.501 -1.368 1.00 0.00 H new ATOM 0 HB THR A 30 -12.003 8.695 0.964 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.006 9.456 1.593 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.817 10.685 1.795 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.261 10.215 0.171 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.361 11.600 0.369 1.00 0.00 H new ATOM 380 N ALA A 31 -10.741 8.894 -2.097 1.00 0.00 N ATOM 381 CA ALA A 31 -9.844 7.980 -2.787 1.00 0.00 C ATOM 382 C ALA A 31 -8.719 7.514 -1.872 1.00 0.00 C ATOM 383 O ALA A 31 -8.023 8.328 -1.260 1.00 0.00 O ATOM 384 CB ALA A 31 -9.264 8.645 -4.023 1.00 0.00 C ATOM 0 H ALA A 31 -10.416 9.861 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.423 7.107 -3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.595 7.950 -4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.072 8.927 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.708 9.536 -3.730 1.00 0.00 H new ATOM 390 N TYR A 32 -8.540 6.205 -1.797 1.00 0.00 N ATOM 391 CA TYR A 32 -7.504 5.616 -0.966 1.00 0.00 C ATOM 392 C TYR A 32 -6.412 5.006 -1.838 1.00 0.00 C ATOM 393 O TYR A 32 -6.675 4.123 -2.657 1.00 0.00 O ATOM 394 CB TYR A 32 -8.106 4.560 -0.035 1.00 0.00 C ATOM 395 CG TYR A 32 -8.976 5.146 1.058 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.285 5.532 0.797 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.485 5.322 2.346 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.080 6.077 1.789 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.273 5.867 3.342 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.568 6.243 3.059 1.00 0.00 C ATOM 401 OH TYR A 32 -11.352 6.791 4.052 1.00 0.00 O ATOM 0 H TYR A 32 -9.105 5.526 -2.307 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.058 6.399 -0.353 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.699 3.862 -0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.299 3.987 0.421 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.688 5.404 -0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.471 5.028 2.572 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.096 6.371 1.570 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.876 5.998 4.338 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.839 6.836 4.886 1.00 0.00 H new ATOM 411 N ASP A 33 -5.193 5.482 -1.656 1.00 0.00 N ATOM 412 CA ASP A 33 -4.052 5.010 -2.431 1.00 0.00 C ATOM 413 C ASP A 33 -3.396 3.830 -1.726 1.00 0.00 C ATOM 414 O ASP A 33 -3.057 3.909 -0.543 1.00 0.00 O ATOM 415 CB ASP A 33 -3.045 6.147 -2.620 1.00 0.00 C ATOM 416 CG ASP A 33 -2.234 6.018 -3.892 1.00 0.00 C ATOM 417 OD1 ASP A 33 -2.780 6.295 -4.982 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.036 5.678 -3.806 1.00 0.00 O ATOM 0 H ASP A 33 -4.963 6.203 -0.972 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.396 4.681 -3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.578 7.098 -2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.368 6.171 -1.766 1.00 0.00 H new ATOM 423 N VAL A 34 -3.236 2.733 -2.451 1.00 0.00 N ATOM 424 CA VAL A 34 -2.643 1.530 -1.890 1.00 0.00 C ATOM 425 C VAL A 34 -1.467 1.050 -2.730 1.00 0.00 C ATOM 426 O VAL A 34 -1.564 0.943 -3.955 1.00 0.00 O ATOM 427 CB VAL A 34 -3.679 0.390 -1.780 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.119 -0.773 -0.976 1.00 0.00 C ATOM 429 CG2 VAL A 34 -4.976 0.885 -1.158 1.00 0.00 C ATOM 0 H VAL A 34 -3.509 2.652 -3.430 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.290 1.790 -0.892 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.896 0.042 -2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.866 -1.564 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.225 -1.157 -1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.864 -0.432 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.686 0.061 -1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.776 1.271 -0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.396 1.678 -1.776 1.00 0.00 H new ATOM 439 N GLY A 35 -0.354 0.778 -2.064 1.00 0.00 N ATOM 440 CA GLY A 35 0.826 0.295 -2.744 1.00 0.00 C ATOM 441 C GLY A 35 1.696 -0.520 -1.814 1.00 0.00 C ATOM 442 O GLY A 35 1.436 -0.574 -0.610 1.00 0.00 O ATOM 0 H GLY A 35 -0.249 0.885 -1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.533 -0.314 -3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.396 1.139 -3.134 1.00 0.00 H new ATOM 446 N GLN A 36 2.732 -1.155 -2.346 1.00 0.00 N ATOM 447 CA GLN A 36 3.618 -1.957 -1.512 1.00 0.00 C ATOM 448 C GLN A 36 4.645 -1.059 -0.822 1.00 0.00 C ATOM 449 O GLN A 36 5.841 -1.109 -1.104 1.00 0.00 O ATOM 450 CB GLN A 36 4.295 -3.072 -2.322 1.00 0.00 C ATOM 451 CG GLN A 36 5.169 -2.590 -3.467 1.00 0.00 C ATOM 452 CD GLN A 36 5.795 -3.737 -4.224 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.294 -4.156 -5.263 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.883 -4.275 -3.693 1.00 0.00 N ATOM 0 H GLN A 36 2.978 -1.132 -3.336 1.00 0.00 H new ATOM 0 HA GLN A 36 3.019 -2.445 -0.743 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.904 -3.673 -1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.524 -3.728 -2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.571 -1.988 -4.151 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.954 -1.943 -3.076 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.268 -3.897 -2.828 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.335 -5.067 -4.150 1.00 0.00 H new ATOM 463 N CYS A 37 4.149 -0.217 0.072 1.00 0.00 N ATOM 464 CA CYS A 37 4.989 0.708 0.820 1.00 0.00 C ATOM 465 C CYS A 37 5.923 -0.052 1.749 1.00 0.00 C ATOM 466 O CYS A 37 5.513 -0.509 2.813 1.00 0.00 O ATOM 467 CB CYS A 37 4.116 1.681 1.615 1.00 0.00 C ATOM 468 SG CYS A 37 2.611 2.205 0.729 1.00 0.00 S ATOM 0 H CYS A 37 3.157 -0.155 0.299 1.00 0.00 H new ATOM 0 HA CYS A 37 5.597 1.277 0.117 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.828 1.212 2.556 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.705 2.563 1.865 1.00 0.00 H new ATOM 473 N ALA A 38 7.174 -0.189 1.334 1.00 0.00 N ATOM 474 CA ALA A 38 8.165 -0.903 2.120 1.00 0.00 C ATOM 475 C ALA A 38 9.113 0.056 2.824 1.00 0.00 C ATOM 476 O ALA A 38 9.109 1.261 2.559 1.00 0.00 O ATOM 477 CB ALA A 38 8.940 -1.876 1.243 1.00 0.00 C ATOM 0 H ALA A 38 7.526 0.187 0.454 1.00 0.00 H new ATOM 0 HA ALA A 38 7.637 -1.469 2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.678 -2.402 1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.251 -2.597 0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.446 -1.327 0.449 1.00 0.00 H new ATOM 483 N TRP A 39 9.921 -0.494 3.719 1.00 0.00 N ATOM 484 CA TRP A 39 10.890 0.274 4.489 1.00 0.00 C ATOM 485 C TRP A 39 12.000 0.802 3.581 1.00 0.00 C ATOM 486 O TRP A 39 12.884 0.049 3.161 1.00 0.00 O ATOM 487 CB TRP A 39 11.484 -0.623 5.576 1.00 0.00 C ATOM 488 CG TRP A 39 11.956 0.103 6.798 1.00 0.00 C ATOM 489 CD1 TRP A 39 11.178 0.622 7.795 1.00 0.00 C ATOM 490 CD2 TRP A 39 13.313 0.374 7.165 1.00 0.00 C ATOM 491 NE1 TRP A 39 11.969 1.197 8.759 1.00 0.00 N ATOM 492 CE2 TRP A 39 13.284 1.058 8.394 1.00 0.00 C ATOM 493 CE3 TRP A 39 14.550 0.106 6.573 1.00 0.00 C ATOM 494 CZ2 TRP A 39 14.443 1.473 9.045 1.00 0.00 C ATOM 495 CZ3 TRP A 39 15.699 0.521 7.217 1.00 0.00 C ATOM 496 CH2 TRP A 39 15.639 1.199 8.440 1.00 0.00 C ATOM 0 H TRP A 39 9.923 -1.491 3.933 1.00 0.00 H new ATOM 0 HA TRP A 39 10.390 1.128 4.947 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.734 -1.356 5.873 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.322 -1.177 5.153 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.099 0.585 7.821 1.00 0.00 H new ATOM 0 HE1 TRP A 39 11.634 1.653 9.608 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.606 -0.416 5.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 14.399 1.991 9.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 16.661 0.319 6.769 1.00 0.00 H new ATOM 0 HH2 TRP A 39 16.556 1.512 8.916 1.00 0.00 H new ATOM 507 N VAL A 40 11.950 2.093 3.275 1.00 0.00 N ATOM 508 CA VAL A 40 12.951 2.700 2.409 1.00 0.00 C ATOM 509 C VAL A 40 13.999 3.454 3.226 1.00 0.00 C ATOM 510 O VAL A 40 15.174 3.495 2.856 1.00 0.00 O ATOM 511 CB VAL A 40 12.305 3.643 1.362 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.660 4.855 2.022 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.333 4.071 0.324 1.00 0.00 C ATOM 0 H VAL A 40 11.232 2.735 3.611 1.00 0.00 H new ATOM 0 HA VAL A 40 13.445 1.890 1.872 1.00 0.00 H new ATOM 0 HB VAL A 40 11.514 3.089 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.218 5.493 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.884 4.524 2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.417 5.417 2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.862 4.733 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.151 4.597 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.723 3.190 -0.186 1.00 0.00 H new ATOM 523 N ASP A 41 13.579 4.020 4.350 1.00 0.00 N ATOM 524 CA ASP A 41 14.483 4.773 5.212 1.00 0.00 C ATOM 525 C ASP A 41 14.122 4.537 6.669 1.00 0.00 C ATOM 526 O ASP A 41 13.101 3.915 6.963 1.00 0.00 O ATOM 527 CB ASP A 41 14.405 6.269 4.901 1.00 0.00 C ATOM 528 CG ASP A 41 15.727 6.979 5.092 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.223 7.038 6.238 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.273 7.490 4.095 1.00 0.00 O ATOM 0 H ASP A 41 12.617 3.972 4.687 1.00 0.00 H new ATOM 0 HA ASP A 41 15.501 4.430 5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.071 6.404 3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.655 6.730 5.543 1.00 0.00 H new ATOM 535 N THR A 42 14.946 5.044 7.576 1.00 0.00 N ATOM 536 CA THR A 42 14.702 4.882 8.999 1.00 0.00 C ATOM 537 C THR A 42 13.442 5.629 9.420 1.00 0.00 C ATOM 538 O THR A 42 13.468 6.840 9.645 1.00 0.00 O ATOM 539 CB THR A 42 15.896 5.385 9.835 1.00 0.00 C ATOM 540 OG1 THR A 42 17.128 4.958 9.234 1.00 0.00 O ATOM 541 CG2 THR A 42 15.815 4.857 11.261 1.00 0.00 C ATOM 0 H THR A 42 15.789 5.571 7.349 1.00 0.00 H new ATOM 0 HA THR A 42 14.569 3.816 9.184 1.00 0.00 H new ATOM 0 HB THR A 42 15.862 6.474 9.862 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.882 5.282 9.769 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.667 5.224 11.834 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.891 5.202 11.725 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.829 3.767 11.247 1.00 0.00 H new ATOM 549 N GLY A 43 12.334 4.899 9.501 1.00 0.00 N ATOM 550 CA GLY A 43 11.072 5.500 9.889 1.00 0.00 C ATOM 551 C GLY A 43 10.316 6.047 8.695 1.00 0.00 C ATOM 552 O GLY A 43 9.326 6.765 8.850 1.00 0.00 O ATOM 0 H GLY A 43 12.288 3.899 9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.458 4.758 10.399 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.257 6.304 10.601 1.00 0.00 H new ATOM 556 N VAL A 44 10.786 5.713 7.498 1.00 0.00 N ATOM 557 CA VAL A 44 10.155 6.179 6.272 1.00 0.00 C ATOM 558 C VAL A 44 9.872 5.015 5.335 1.00 0.00 C ATOM 559 O VAL A 44 10.749 4.194 5.052 1.00 0.00 O ATOM 560 CB VAL A 44 11.029 7.211 5.525 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.221 7.917 4.447 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.627 8.223 6.489 1.00 0.00 C ATOM 0 H VAL A 44 11.603 5.120 7.352 1.00 0.00 H new ATOM 0 HA VAL A 44 9.222 6.658 6.567 1.00 0.00 H new ATOM 0 HB VAL A 44 11.849 6.673 5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.854 8.640 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.851 7.184 3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.378 8.434 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.237 8.937 5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.825 8.753 7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.248 7.706 7.221 1.00 0.00 H new ATOM 572 N LEU A 45 8.644 4.941 4.860 1.00 0.00 N ATOM 573 CA LEU A 45 8.246 3.892 3.937 1.00 0.00 C ATOM 574 C LEU A 45 8.045 4.491 2.554 1.00 0.00 C ATOM 575 O LEU A 45 8.008 5.709 2.406 1.00 0.00 O ATOM 576 CB LEU A 45 6.966 3.196 4.421 1.00 0.00 C ATOM 577 CG LEU A 45 7.180 1.898 5.213 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.923 2.170 6.510 1.00 0.00 C ATOM 579 CD2 LEU A 45 5.846 1.227 5.505 1.00 0.00 C ATOM 0 H LEU A 45 7.900 5.597 5.098 1.00 0.00 H new ATOM 0 HA LEU A 45 9.033 3.139 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.407 3.894 5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.344 2.974 3.554 1.00 0.00 H new ATOM 0 HG LEU A 45 7.786 1.227 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.062 1.235 7.053 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.896 2.608 6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.345 2.862 7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.016 0.309 6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.221 1.900 6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.344 0.991 4.567 1.00 0.00 H new ATOM 591 N ALA A 46 7.954 3.645 1.543 1.00 0.00 N ATOM 592 CA ALA A 46 7.758 4.110 0.177 1.00 0.00 C ATOM 593 C ALA A 46 6.991 3.084 -0.640 1.00 0.00 C ATOM 594 O ALA A 46 7.324 1.902 -0.627 1.00 0.00 O ATOM 595 CB ALA A 46 9.096 4.416 -0.474 1.00 0.00 C ATOM 0 H ALA A 46 8.012 2.631 1.640 1.00 0.00 H new ATOM 0 HA ALA A 46 7.168 5.026 0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.933 4.762 -1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.609 5.192 0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.708 3.514 -0.490 1.00 0.00 H new ATOM 601 N CYS A 47 5.957 3.538 -1.333 1.00 0.00 N ATOM 602 CA CYS A 47 5.135 2.653 -2.151 1.00 0.00 C ATOM 603 C CYS A 47 5.553 2.719 -3.614 1.00 0.00 C ATOM 604 O CYS A 47 6.276 3.628 -4.017 1.00 0.00 O ATOM 605 CB CYS A 47 3.657 3.031 -2.016 1.00 0.00 C ATOM 606 SG CYS A 47 3.223 3.772 -0.410 1.00 0.00 S ATOM 0 H CYS A 47 5.666 4.515 -1.346 1.00 0.00 H new ATOM 0 HA CYS A 47 5.280 1.633 -1.796 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.398 3.732 -2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.049 2.139 -2.169 1.00 0.00 H new ATOM 611 N ASN A 48 5.098 1.754 -4.402 1.00 0.00 N ATOM 612 CA ASN A 48 5.421 1.701 -5.821 1.00 0.00 C ATOM 613 C ASN A 48 4.460 2.572 -6.627 1.00 0.00 C ATOM 614 O ASN A 48 3.249 2.514 -6.431 1.00 0.00 O ATOM 615 CB ASN A 48 5.387 0.253 -6.338 1.00 0.00 C ATOM 616 CG ASN A 48 4.067 -0.466 -6.085 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.385 -0.231 -5.082 1.00 0.00 O ATOM 618 ND2 ASN A 48 3.713 -1.373 -6.981 1.00 0.00 N ATOM 0 H ASN A 48 4.500 0.993 -4.080 1.00 0.00 H new ATOM 0 HA ASN A 48 6.432 2.088 -5.949 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.587 0.256 -7.409 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.192 -0.310 -5.865 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.852 -1.905 -6.855 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.301 -1.540 -7.797 1.00 0.00 H new ATOM 625 N PRO A 49 4.990 3.413 -7.529 1.00 0.00 N ATOM 626 CA PRO A 49 4.182 4.296 -8.363 1.00 0.00 C ATOM 627 C PRO A 49 3.839 3.680 -9.718 1.00 0.00 C ATOM 628 O PRO A 49 3.239 4.333 -10.576 1.00 0.00 O ATOM 629 CB PRO A 49 5.118 5.481 -8.552 1.00 0.00 C ATOM 630 CG PRO A 49 6.475 4.861 -8.633 1.00 0.00 C ATOM 631 CD PRO A 49 6.429 3.606 -7.788 1.00 0.00 C ATOM 0 HA PRO A 49 3.217 4.531 -7.914 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.879 6.038 -9.458 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.048 6.181 -7.720 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.731 4.624 -9.665 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.237 5.548 -8.265 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.859 2.753 -8.313 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.990 3.726 -6.861 1.00 0.00 H new ATOM 639 N ALA A 50 4.232 2.432 -9.917 1.00 0.00 N ATOM 640 CA ALA A 50 3.971 1.753 -11.175 1.00 0.00 C ATOM 641 C ALA A 50 2.792 0.796 -11.054 1.00 0.00 C ATOM 642 O ALA A 50 1.722 1.043 -11.610 1.00 0.00 O ATOM 643 CB ALA A 50 5.218 1.021 -11.651 1.00 0.00 C ATOM 0 H ALA A 50 4.731 1.871 -9.226 1.00 0.00 H new ATOM 0 HA ALA A 50 3.707 2.506 -11.917 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.006 0.517 -12.594 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.027 1.737 -11.795 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.514 0.284 -10.905 1.00 0.00 H new ATOM 649 N ASP A 51 2.972 -0.280 -10.303 1.00 0.00 N ATOM 650 CA ASP A 51 1.916 -1.274 -10.134 1.00 0.00 C ATOM 651 C ASP A 51 1.041 -0.954 -8.923 1.00 0.00 C ATOM 652 O ASP A 51 0.722 -1.831 -8.120 1.00 0.00 O ATOM 653 CB ASP A 51 2.517 -2.676 -9.992 1.00 0.00 C ATOM 654 CG ASP A 51 3.273 -3.121 -11.228 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.629 -3.559 -12.206 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.522 -3.049 -11.221 1.00 0.00 O ATOM 0 H ASP A 51 3.835 -0.489 -9.801 1.00 0.00 H new ATOM 0 HA ASP A 51 1.288 -1.245 -11.024 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.190 -2.692 -9.135 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.719 -3.389 -9.784 1.00 0.00 H new ATOM 661 N PHE A 52 0.658 0.307 -8.796 1.00 0.00 N ATOM 662 CA PHE A 52 -0.186 0.740 -7.694 1.00 0.00 C ATOM 663 C PHE A 52 -1.619 0.901 -8.181 1.00 0.00 C ATOM 664 O PHE A 52 -1.868 0.903 -9.389 1.00 0.00 O ATOM 665 CB PHE A 52 0.333 2.057 -7.101 1.00 0.00 C ATOM 666 CG PHE A 52 -0.157 3.293 -7.805 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.297 3.615 -9.072 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.070 4.134 -7.191 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.155 4.753 -9.714 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.522 5.271 -7.827 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.066 5.581 -9.089 1.00 0.00 C ATOM 0 H PHE A 52 0.919 1.050 -9.444 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.160 -0.016 -6.909 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.038 2.110 -6.053 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.423 2.048 -7.126 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.011 2.971 -9.564 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.433 3.896 -6.202 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.204 4.994 -10.704 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.233 5.918 -7.336 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.420 6.470 -9.589 1.00 0.00 H new ATOM 681 N SER A 53 -2.555 1.023 -7.256 1.00 0.00 N ATOM 682 CA SER A 53 -3.953 1.182 -7.611 1.00 0.00 C ATOM 683 C SER A 53 -4.705 1.949 -6.528 1.00 0.00 C ATOM 684 O SER A 53 -4.805 1.496 -5.387 1.00 0.00 O ATOM 685 CB SER A 53 -4.602 -0.188 -7.837 1.00 0.00 C ATOM 686 OG SER A 53 -3.953 -0.886 -8.891 1.00 0.00 O ATOM 0 H SER A 53 -2.371 1.015 -6.253 1.00 0.00 H new ATOM 0 HA SER A 53 -4.007 1.756 -8.536 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.551 -0.775 -6.920 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.658 -0.060 -8.075 1.00 0.00 H new ATOM 0 HG SER A 53 -4.381 -1.758 -9.018 1.00 0.00 H new ATOM 692 N SER A 54 -5.203 3.123 -6.884 1.00 0.00 N ATOM 693 CA SER A 54 -5.959 3.942 -5.954 1.00 0.00 C ATOM 694 C SER A 54 -7.427 3.553 -6.021 1.00 0.00 C ATOM 695 O SER A 54 -8.057 3.655 -7.075 1.00 0.00 O ATOM 696 CB SER A 54 -5.782 5.424 -6.294 1.00 0.00 C ATOM 697 OG SER A 54 -4.507 5.659 -6.873 1.00 0.00 O ATOM 0 H SER A 54 -5.096 3.529 -7.813 1.00 0.00 H new ATOM 0 HA SER A 54 -5.591 3.777 -4.941 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.564 5.739 -6.985 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.893 6.025 -5.391 1.00 0.00 H new ATOM 0 HG SER A 54 -3.934 6.121 -6.226 1.00 0.00 H new ATOM 703 N VAL A 55 -7.972 3.091 -4.910 1.00 0.00 N ATOM 704 CA VAL A 55 -9.363 2.676 -4.878 1.00 0.00 C ATOM 705 C VAL A 55 -10.226 3.696 -4.136 1.00 0.00 C ATOM 706 O VAL A 55 -9.866 4.172 -3.061 1.00 0.00 O ATOM 707 CB VAL A 55 -9.522 1.270 -4.249 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.956 1.228 -2.836 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.982 0.839 -4.265 1.00 0.00 C ATOM 0 H VAL A 55 -7.477 2.994 -4.024 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.708 2.622 -5.911 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.950 0.565 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.083 0.227 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.895 1.478 -2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.484 1.948 -2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.074 -0.151 -3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.578 1.551 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.341 0.808 -5.294 1.00 0.00 H new ATOM 719 N THR A 56 -11.353 4.049 -4.732 1.00 0.00 N ATOM 720 CA THR A 56 -12.260 5.008 -4.132 1.00 0.00 C ATOM 721 C THR A 56 -13.292 4.300 -3.263 1.00 0.00 C ATOM 722 O THR A 56 -13.692 3.165 -3.543 1.00 0.00 O ATOM 723 CB THR A 56 -12.969 5.861 -5.214 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.842 6.821 -4.603 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.758 4.985 -6.178 1.00 0.00 C ATOM 0 H THR A 56 -11.660 3.684 -5.633 1.00 0.00 H new ATOM 0 HA THR A 56 -11.670 5.675 -3.504 1.00 0.00 H new ATOM 0 HB THR A 56 -12.199 6.386 -5.779 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.281 7.353 -5.299 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.244 5.612 -6.925 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.082 4.288 -6.673 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.514 4.426 -5.626 1.00 0.00 H new ATOM 733 N ALA A 57 -13.691 4.954 -2.186 1.00 0.00 N ATOM 734 CA ALA A 57 -14.680 4.396 -1.284 1.00 0.00 C ATOM 735 C ALA A 57 -16.065 4.508 -1.900 1.00 0.00 C ATOM 736 O ALA A 57 -16.478 5.590 -2.324 1.00 0.00 O ATOM 737 CB ALA A 57 -14.631 5.093 0.065 1.00 0.00 C ATOM 0 H ALA A 57 -13.344 5.874 -1.916 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.454 3.342 -1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.381 4.659 0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.642 4.965 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.835 6.156 -0.067 1.00 0.00 H new ATOM 743 N ASP A 58 -16.769 3.388 -1.955 1.00 0.00 N ATOM 744 CA ASP A 58 -18.108 3.344 -2.538 1.00 0.00 C ATOM 745 C ASP A 58 -19.145 3.966 -1.609 1.00 0.00 C ATOM 746 O ASP A 58 -18.824 4.438 -0.518 1.00 0.00 O ATOM 747 CB ASP A 58 -18.510 1.901 -2.881 1.00 0.00 C ATOM 748 CG ASP A 58 -18.239 0.921 -1.757 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.692 1.162 -0.621 1.00 0.00 O ATOM 750 OD2 ASP A 58 -17.577 -0.108 -2.007 1.00 0.00 O ATOM 0 H ASP A 58 -16.436 2.491 -1.602 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.079 3.930 -3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.571 1.876 -3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.968 1.582 -3.771 1.00 0.00 H new ATOM 755 N ALA A 59 -20.400 3.940 -2.044 1.00 0.00 N ATOM 756 CA ALA A 59 -21.499 4.507 -1.276 1.00 0.00 C ATOM 757 C ALA A 59 -21.783 3.685 -0.022 1.00 0.00 C ATOM 758 O ALA A 59 -22.579 4.088 0.825 1.00 0.00 O ATOM 759 CB ALA A 59 -22.744 4.607 -2.142 1.00 0.00 C ATOM 0 H ALA A 59 -20.682 3.528 -2.933 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.209 5.508 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.560 5.032 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.540 5.247 -3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.026 3.613 -2.490 1.00 0.00 H new ATOM 765 N ASN A 60 -21.135 2.532 0.095 1.00 0.00 N ATOM 766 CA ASN A 60 -21.315 1.677 1.260 1.00 0.00 C ATOM 767 C ASN A 60 -20.226 1.990 2.280 1.00 0.00 C ATOM 768 O ASN A 60 -20.195 1.425 3.375 1.00 0.00 O ATOM 769 CB ASN A 60 -21.266 0.187 0.882 1.00 0.00 C ATOM 770 CG ASN A 60 -22.032 -0.133 -0.387 1.00 0.00 C ATOM 771 OD1 ASN A 60 -21.313 -0.284 -1.486 1.00 0.00 O flip ATOM 772 ND2 ASN A 60 -23.256 -0.262 -0.380 1.00 0.00 N flip ATOM 0 H ASN A 60 -20.483 2.169 -0.600 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.298 1.876 1.686 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.226 -0.115 0.757 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.673 -0.403 1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.777 -0.138 0.488 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -23.749 -0.493 -1.242 1.00 0.00 H new ATOM 779 N GLY A 61 -19.328 2.901 1.902 1.00 0.00 N ATOM 780 CA GLY A 61 -18.242 3.296 2.774 1.00 0.00 C ATOM 781 C GLY A 61 -17.137 2.263 2.821 1.00 0.00 C ATOM 782 O GLY A 61 -16.450 2.124 3.834 1.00 0.00 O ATOM 0 H GLY A 61 -19.339 3.373 0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.833 4.247 2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.628 3.458 3.780 1.00 0.00 H new ATOM 786 N SER A 62 -16.952 1.541 1.727 1.00 0.00 N ATOM 787 CA SER A 62 -15.929 0.510 1.666 1.00 0.00 C ATOM 788 C SER A 62 -15.089 0.636 0.397 1.00 0.00 C ATOM 789 O SER A 62 -15.440 1.383 -0.520 1.00 0.00 O ATOM 790 CB SER A 62 -16.591 -0.866 1.742 1.00 0.00 C ATOM 791 OG SER A 62 -17.956 -0.796 1.350 1.00 0.00 O ATOM 0 H SER A 62 -17.496 1.650 0.871 1.00 0.00 H new ATOM 0 HA SER A 62 -15.256 0.634 2.514 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.059 -1.566 1.097 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.520 -1.252 2.759 1.00 0.00 H new ATOM 0 HG SER A 62 -18.043 -0.208 0.571 1.00 0.00 H new ATOM 797 N ALA A 63 -13.970 -0.074 0.366 1.00 0.00 N ATOM 798 CA ALA A 63 -13.077 -0.054 -0.783 1.00 0.00 C ATOM 799 C ALA A 63 -12.202 -1.302 -0.820 1.00 0.00 C ATOM 800 O ALA A 63 -11.568 -1.656 0.175 1.00 0.00 O ATOM 801 CB ALA A 63 -12.211 1.195 -0.745 1.00 0.00 C ATOM 0 H ALA A 63 -13.658 -0.675 1.129 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.684 -0.042 -1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.545 1.203 -1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.847 2.080 -0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.619 1.199 0.170 1.00 0.00 H new ATOM 807 N SER A 64 -12.182 -1.973 -1.962 1.00 0.00 N ATOM 808 CA SER A 64 -11.377 -3.170 -2.129 1.00 0.00 C ATOM 809 C SER A 64 -10.534 -3.053 -3.394 1.00 0.00 C ATOM 810 O SER A 64 -10.973 -2.487 -4.395 1.00 0.00 O ATOM 811 CB SER A 64 -12.273 -4.415 -2.189 1.00 0.00 C ATOM 812 OG SER A 64 -11.614 -5.558 -1.650 1.00 0.00 O ATOM 0 H SER A 64 -12.717 -1.706 -2.789 1.00 0.00 H new ATOM 0 HA SER A 64 -10.712 -3.272 -1.272 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.193 -4.229 -1.635 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.557 -4.611 -3.223 1.00 0.00 H new ATOM 0 HG SER A 64 -10.720 -5.304 -1.340 1.00 0.00 H new ATOM 818 N THR A 65 -9.319 -3.571 -3.340 1.00 0.00 N ATOM 819 CA THR A 65 -8.420 -3.513 -4.476 1.00 0.00 C ATOM 820 C THR A 65 -7.406 -4.655 -4.417 1.00 0.00 C ATOM 821 O THR A 65 -7.279 -5.340 -3.396 1.00 0.00 O ATOM 822 CB THR A 65 -7.695 -2.148 -4.538 1.00 0.00 C ATOM 823 OG1 THR A 65 -6.958 -2.028 -5.760 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.758 -1.976 -3.352 1.00 0.00 C ATOM 0 H THR A 65 -8.933 -4.037 -2.519 1.00 0.00 H new ATOM 0 HA THR A 65 -9.014 -3.623 -5.383 1.00 0.00 H new ATOM 0 HB THR A 65 -8.452 -1.364 -4.500 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.506 -1.159 -5.786 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.260 -1.009 -3.419 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.330 -2.026 -2.426 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.011 -2.770 -3.360 1.00 0.00 H new ATOM 832 N SER A 66 -6.709 -4.868 -5.524 1.00 0.00 N ATOM 833 CA SER A 66 -5.709 -5.921 -5.623 1.00 0.00 C ATOM 834 C SER A 66 -4.397 -5.351 -6.158 1.00 0.00 C ATOM 835 O SER A 66 -4.363 -4.754 -7.237 1.00 0.00 O ATOM 836 CB SER A 66 -6.230 -7.027 -6.539 1.00 0.00 C ATOM 837 OG SER A 66 -7.638 -7.148 -6.430 1.00 0.00 O ATOM 0 H SER A 66 -6.820 -4.318 -6.376 1.00 0.00 H new ATOM 0 HA SER A 66 -5.520 -6.339 -4.634 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.958 -6.809 -7.572 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.758 -7.974 -6.278 1.00 0.00 H new ATOM 0 HG SER A 66 -7.952 -7.860 -7.025 1.00 0.00 H new ATOM 843 N LEU A 67 -3.317 -5.539 -5.409 1.00 0.00 N ATOM 844 CA LEU A 67 -2.014 -5.010 -5.805 1.00 0.00 C ATOM 845 C LEU A 67 -1.069 -6.119 -6.240 1.00 0.00 C ATOM 846 O LEU A 67 -1.130 -7.240 -5.732 1.00 0.00 O ATOM 847 CB LEU A 67 -1.369 -4.229 -4.650 1.00 0.00 C ATOM 848 CG LEU A 67 -1.990 -2.866 -4.322 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.141 -2.022 -5.577 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.328 -3.040 -3.619 1.00 0.00 C ATOM 0 H LEU A 67 -3.315 -6.052 -4.527 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.185 -4.342 -6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.409 -4.848 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.316 -4.077 -4.886 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.317 -2.340 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.584 -1.060 -5.318 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.161 -1.861 -6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.786 -2.539 -6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.751 -2.061 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.010 -3.591 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.182 -3.593 -2.691 1.00 0.00 H new ATOM 862 N THR A 68 -0.199 -5.790 -7.185 1.00 0.00 N ATOM 863 CA THR A 68 0.791 -6.728 -7.684 1.00 0.00 C ATOM 864 C THR A 68 2.131 -6.434 -7.019 1.00 0.00 C ATOM 865 O THR A 68 2.781 -5.433 -7.334 1.00 0.00 O ATOM 866 CB THR A 68 0.946 -6.626 -9.214 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.344 -6.624 -9.843 1.00 0.00 O ATOM 868 CG2 THR A 68 1.778 -7.777 -9.761 1.00 0.00 C ATOM 0 H THR A 68 -0.161 -4.870 -7.624 1.00 0.00 H new ATOM 0 HA THR A 68 0.458 -7.738 -7.446 1.00 0.00 H new ATOM 0 HB THR A 68 1.461 -5.691 -9.436 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.234 -6.557 -10.815 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.870 -7.678 -10.843 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.770 -7.756 -9.309 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.291 -8.723 -9.524 1.00 0.00 H new ATOM 876 N VAL A 69 2.527 -7.290 -6.088 1.00 0.00 N ATOM 877 CA VAL A 69 3.777 -7.100 -5.362 1.00 0.00 C ATOM 878 C VAL A 69 4.995 -7.496 -6.203 1.00 0.00 C ATOM 879 O VAL A 69 5.090 -8.618 -6.713 1.00 0.00 O ATOM 880 CB VAL A 69 3.782 -7.876 -4.018 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.532 -9.364 -4.229 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.090 -7.662 -3.269 1.00 0.00 C ATOM 0 H VAL A 69 2.003 -8.122 -5.817 1.00 0.00 H new ATOM 0 HA VAL A 69 3.848 -6.034 -5.145 1.00 0.00 H new ATOM 0 HB VAL A 69 2.966 -7.480 -3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.543 -9.875 -3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.562 -9.506 -4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.313 -9.777 -4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.067 -8.217 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.921 -8.016 -3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.220 -6.600 -3.060 1.00 0.00 H new ATOM 892 N ARG A 70 5.912 -6.547 -6.349 1.00 0.00 N ATOM 893 CA ARG A 70 7.143 -6.755 -7.093 1.00 0.00 C ATOM 894 C ARG A 70 8.293 -6.974 -6.114 1.00 0.00 C ATOM 895 O ARG A 70 8.217 -6.544 -4.961 1.00 0.00 O ATOM 896 CB ARG A 70 7.449 -5.537 -7.976 1.00 0.00 C ATOM 897 CG ARG A 70 6.323 -5.152 -8.924 1.00 0.00 C ATOM 898 CD ARG A 70 6.189 -6.136 -10.075 1.00 0.00 C ATOM 899 NE ARG A 70 5.202 -5.693 -11.055 1.00 0.00 N ATOM 900 CZ ARG A 70 4.619 -6.495 -11.942 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.930 -7.785 -11.986 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.716 -6.010 -12.780 1.00 0.00 N ATOM 0 H ARG A 70 5.820 -5.611 -5.953 1.00 0.00 H new ATOM 0 HA ARG A 70 7.026 -7.631 -7.732 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.675 -4.685 -7.334 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.346 -5.743 -8.560 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.384 -5.108 -8.373 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.507 -4.153 -9.320 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.156 -6.258 -10.563 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.902 -7.113 -9.686 1.00 0.00 H new ATOM 0 HE ARG A 70 4.943 -4.706 -11.060 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.619 -8.166 -11.338 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.480 -8.395 -12.668 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.467 -5.021 -12.746 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.269 -6.625 -13.460 1.00 0.00 H new ATOM 916 N ARG A 71 9.348 -7.638 -6.565 1.00 0.00 N ATOM 917 CA ARG A 71 10.503 -7.887 -5.712 1.00 0.00 C ATOM 918 C ARG A 71 11.388 -6.641 -5.661 1.00 0.00 C ATOM 919 O ARG A 71 12.053 -6.383 -4.666 1.00 0.00 O ATOM 920 CB ARG A 71 11.298 -9.100 -6.214 1.00 0.00 C ATOM 921 CG ARG A 71 12.223 -9.708 -5.170 1.00 0.00 C ATOM 922 CD ARG A 71 11.455 -10.486 -4.114 1.00 0.00 C ATOM 923 NE ARG A 71 10.989 -11.777 -4.615 1.00 0.00 N ATOM 924 CZ ARG A 71 11.026 -12.906 -3.914 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.512 -12.933 -2.680 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.550 -14.017 -4.444 1.00 0.00 N ATOM 0 H ARG A 71 9.429 -8.012 -7.510 1.00 0.00 H new ATOM 0 HA ARG A 71 10.154 -8.111 -4.704 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.599 -9.864 -6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.890 -8.801 -7.079 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.938 -10.370 -5.660 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.799 -8.916 -4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.093 -10.644 -3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.601 -9.897 -3.780 1.00 0.00 H new ATOM 0 HE ARG A 71 10.612 -11.814 -5.562 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.866 -12.077 -2.252 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.532 -13.809 -2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.157 -14.006 -5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.575 -14.887 -3.912 1.00 0.00 H new ATOM 940 N SER A 72 11.383 -5.872 -6.740 1.00 0.00 N ATOM 941 CA SER A 72 12.162 -4.644 -6.816 1.00 0.00 C ATOM 942 C SER A 72 11.284 -3.550 -7.409 1.00 0.00 C ATOM 943 O SER A 72 10.784 -3.695 -8.523 1.00 0.00 O ATOM 944 CB SER A 72 13.415 -4.854 -7.677 1.00 0.00 C ATOM 945 OG SER A 72 14.071 -6.071 -7.345 1.00 0.00 O ATOM 0 H SER A 72 10.844 -6.079 -7.581 1.00 0.00 H new ATOM 0 HA SER A 72 12.490 -4.353 -5.818 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.137 -4.864 -8.731 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.100 -4.018 -7.536 1.00 0.00 H new ATOM 0 HG SER A 72 14.484 -5.989 -6.460 1.00 0.00 H new ATOM 951 N PHE A 73 11.075 -2.471 -6.668 1.00 0.00 N ATOM 952 CA PHE A 73 10.216 -1.392 -7.140 1.00 0.00 C ATOM 953 C PHE A 73 10.770 -0.017 -6.778 1.00 0.00 C ATOM 954 O PHE A 73 11.699 0.106 -5.979 1.00 0.00 O ATOM 955 CB PHE A 73 8.818 -1.549 -6.536 1.00 0.00 C ATOM 956 CG PHE A 73 8.776 -1.306 -5.049 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.252 -2.257 -4.160 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.263 -0.124 -4.542 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.213 -2.033 -2.798 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.223 0.106 -3.182 1.00 0.00 C ATOM 961 CZ PHE A 73 8.698 -0.849 -2.308 1.00 0.00 C ATOM 0 H PHE A 73 11.484 -2.319 -5.746 1.00 0.00 H new ATOM 0 HA PHE A 73 10.171 -1.458 -8.227 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.138 -0.855 -7.029 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.452 -2.555 -6.742 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.658 -3.184 -4.537 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.889 0.628 -5.220 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.585 -2.783 -2.116 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.820 1.033 -2.802 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.667 -0.671 -1.243 1.00 0.00 H new ATOM 971 N GLU A 74 10.187 1.014 -7.376 1.00 0.00 N ATOM 972 CA GLU A 74 10.583 2.387 -7.105 1.00 0.00 C ATOM 973 C GLU A 74 9.817 2.909 -5.897 1.00 0.00 C ATOM 974 O GLU A 74 8.596 2.769 -5.825 1.00 0.00 O ATOM 975 CB GLU A 74 10.301 3.270 -8.323 1.00 0.00 C ATOM 976 CG GLU A 74 10.813 2.688 -9.629 1.00 0.00 C ATOM 977 CD GLU A 74 9.711 2.069 -10.469 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.280 0.935 -10.159 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.281 2.708 -11.456 1.00 0.00 O ATOM 0 H GLU A 74 9.433 0.922 -8.057 1.00 0.00 H new ATOM 0 HA GLU A 74 11.652 2.414 -6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.226 3.431 -8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.758 4.247 -8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.304 3.473 -10.204 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.568 1.932 -9.413 1.00 0.00 H new ATOM 986 N GLY A 75 10.528 3.494 -4.947 1.00 0.00 N ATOM 987 CA GLY A 75 9.880 4.008 -3.760 1.00 0.00 C ATOM 988 C GLY A 75 9.387 5.431 -3.936 1.00 0.00 C ATOM 989 O GLY A 75 10.139 6.298 -4.392 1.00 0.00 O ATOM 0 H GLY A 75 11.540 3.622 -4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.038 3.365 -3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.578 3.970 -2.924 1.00 0.00 H new ATOM 993 N PHE A 76 8.131 5.675 -3.566 1.00 0.00 N ATOM 994 CA PHE A 76 7.541 6.995 -3.686 1.00 0.00 C ATOM 995 C PHE A 76 6.837 7.377 -2.396 1.00 0.00 C ATOM 996 O PHE A 76 6.197 6.540 -1.752 1.00 0.00 O ATOM 997 CB PHE A 76 6.549 7.032 -4.849 1.00 0.00 C ATOM 998 CG PHE A 76 7.055 7.767 -6.057 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.057 7.225 -6.848 1.00 0.00 C ATOM 1000 CD2 PHE A 76 6.520 8.996 -6.407 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.516 7.898 -7.963 1.00 0.00 C ATOM 1002 CE2 PHE A 76 6.975 9.672 -7.521 1.00 0.00 C ATOM 1003 CZ PHE A 76 7.974 9.123 -8.300 1.00 0.00 C ATOM 0 H PHE A 76 7.505 4.968 -3.180 1.00 0.00 H new ATOM 0 HA PHE A 76 8.339 7.712 -3.880 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.301 6.010 -5.135 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.625 7.501 -4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.483 6.267 -6.589 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.738 9.430 -5.801 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.298 7.467 -8.571 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.550 10.630 -7.783 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.331 9.651 -9.172 1.00 0.00 H new ATOM 1013 N LEU A 77 6.969 8.635 -2.020 1.00 0.00 N ATOM 1014 CA LEU A 77 6.343 9.141 -0.814 1.00 0.00 C ATOM 1015 C LEU A 77 4.909 9.551 -1.122 1.00 0.00 C ATOM 1016 O LEU A 77 4.533 9.670 -2.289 1.00 0.00 O ATOM 1017 CB LEU A 77 7.127 10.333 -0.259 1.00 0.00 C ATOM 1018 CG LEU A 77 8.648 10.168 -0.226 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.297 11.420 0.329 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.048 8.955 0.594 1.00 0.00 C ATOM 0 H LEU A 77 7.508 9.329 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 77 6.340 8.355 -0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.888 11.212 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.779 10.533 0.755 1.00 0.00 H new ATOM 0 HG LEU A 77 8.997 10.012 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.379 11.291 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.044 12.272 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.935 11.599 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.134 8.862 0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.688 9.072 1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.610 8.059 0.155 1.00 0.00 H new ATOM 1032 N PHE A 78 4.117 9.789 -0.087 1.00 0.00 N ATOM 1033 CA PHE A 78 2.721 10.167 -0.272 1.00 0.00 C ATOM 1034 C PHE A 78 2.587 11.626 -0.700 1.00 0.00 C ATOM 1035 O PHE A 78 1.522 12.051 -1.146 1.00 0.00 O ATOM 1036 CB PHE A 78 1.922 9.916 1.009 1.00 0.00 C ATOM 1037 CG PHE A 78 1.084 8.665 0.954 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.615 7.478 0.469 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.235 8.681 1.380 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.846 6.331 0.412 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.008 7.535 1.325 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.466 6.360 0.842 1.00 0.00 C ATOM 0 H PHE A 78 4.414 9.728 0.887 1.00 0.00 H new ATOM 0 HA PHE A 78 2.315 9.545 -1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.611 9.847 1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.273 10.771 1.198 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.641 7.450 0.132 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.663 9.597 1.759 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.270 5.414 0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.035 7.559 1.660 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.068 5.464 0.801 1.00 0.00 H new ATOM 1052 N ASP A 79 3.670 12.390 -0.573 1.00 0.00 N ATOM 1053 CA ASP A 79 3.652 13.800 -0.958 1.00 0.00 C ATOM 1054 C ASP A 79 3.808 13.948 -2.472 1.00 0.00 C ATOM 1055 O ASP A 79 3.370 14.939 -3.056 1.00 0.00 O ATOM 1056 CB ASP A 79 4.759 14.582 -0.240 1.00 0.00 C ATOM 1057 CG ASP A 79 6.098 14.480 -0.940 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.628 13.357 -1.051 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.628 15.520 -1.383 1.00 0.00 O ATOM 0 H ASP A 79 4.564 12.060 -0.210 1.00 0.00 H new ATOM 0 HA ASP A 79 2.688 14.213 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.470 15.631 -0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.858 14.210 0.780 1.00 0.00 H new ATOM 1064 N GLY A 80 4.431 12.955 -3.099 1.00 0.00 N ATOM 1065 CA GLY A 80 4.625 12.993 -4.538 1.00 0.00 C ATOM 1066 C GLY A 80 6.083 12.882 -4.937 1.00 0.00 C ATOM 1067 O GLY A 80 6.404 12.766 -6.123 1.00 0.00 O ATOM 0 H GLY A 80 4.805 12.126 -2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.064 12.179 -4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.215 13.924 -4.931 1.00 0.00 H new ATOM 1071 N THR A 81 6.965 12.930 -3.957 1.00 0.00 N ATOM 1072 CA THR A 81 8.391 12.832 -4.212 1.00 0.00 C ATOM 1073 C THR A 81 8.866 11.388 -4.062 1.00 0.00 C ATOM 1074 O THR A 81 8.253 10.596 -3.348 1.00 0.00 O ATOM 1075 CB THR A 81 9.179 13.746 -3.250 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.530 15.025 -3.157 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.615 13.939 -3.719 1.00 0.00 C ATOM 0 H THR A 81 6.719 13.037 -2.973 1.00 0.00 H new ATOM 0 HA THR A 81 8.574 13.158 -5.236 1.00 0.00 H new ATOM 0 HB THR A 81 9.201 13.267 -2.271 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.123 15.122 -2.271 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.142 14.588 -3.019 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.116 12.972 -3.765 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.616 14.396 -4.709 1.00 0.00 H new ATOM 1085 N ARG A 82 9.937 11.035 -4.759 1.00 0.00 N ATOM 1086 CA ARG A 82 10.482 9.691 -4.673 1.00 0.00 C ATOM 1087 C ARG A 82 11.600 9.648 -3.634 1.00 0.00 C ATOM 1088 O ARG A 82 12.141 10.690 -3.259 1.00 0.00 O ATOM 1089 CB ARG A 82 10.989 9.234 -6.043 1.00 0.00 C ATOM 1090 CG ARG A 82 12.375 9.741 -6.406 1.00 0.00 C ATOM 1091 CD ARG A 82 12.784 9.285 -7.792 1.00 0.00 C ATOM 1092 NE ARG A 82 14.179 9.608 -8.072 1.00 0.00 N ATOM 1093 CZ ARG A 82 15.197 8.769 -7.888 1.00 0.00 C ATOM 1094 NH1 ARG A 82 14.977 7.536 -7.445 1.00 0.00 N ATOM 1095 NH2 ARG A 82 16.431 9.166 -8.154 1.00 0.00 N ATOM 0 H ARG A 82 10.443 11.659 -5.387 1.00 0.00 H new ATOM 0 HA ARG A 82 9.694 9.006 -4.360 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.997 8.144 -6.068 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.284 9.565 -6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.389 10.830 -6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.099 9.382 -5.675 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.634 8.209 -7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.143 9.759 -8.536 1.00 0.00 H new ATOM 0 HE ARG A 82 14.389 10.539 -8.433 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.025 7.228 -7.244 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.760 6.897 -7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.600 10.111 -8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.214 8.527 -8.015 1.00 0.00 H new ATOM 1109 N TRP A 83 11.937 8.456 -3.161 1.00 0.00 N ATOM 1110 CA TRP A 83 12.991 8.317 -2.163 1.00 0.00 C ATOM 1111 C TRP A 83 14.057 7.320 -2.614 1.00 0.00 C ATOM 1112 O TRP A 83 14.985 7.007 -1.869 1.00 0.00 O ATOM 1113 CB TRP A 83 12.391 7.881 -0.825 1.00 0.00 C ATOM 1114 CG TRP A 83 13.174 8.365 0.362 1.00 0.00 C ATOM 1115 CD1 TRP A 83 13.893 7.605 1.240 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.322 9.721 0.795 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.476 8.406 2.191 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.139 9.708 1.942 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.845 10.946 0.326 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.482 10.871 2.625 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.188 12.101 1.005 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.000 12.056 2.142 1.00 0.00 C ATOM 0 H TRP A 83 11.502 7.579 -3.448 1.00 0.00 H new ATOM 0 HA TRP A 83 13.472 9.288 -2.042 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.369 8.254 -0.754 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.336 6.793 -0.796 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.989 6.530 1.193 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.065 8.082 2.959 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.218 10.991 -0.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.107 10.839 3.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.822 13.054 0.651 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.252 12.976 2.649 1.00 0.00 H new ATOM 1133 N GLY A 84 13.925 6.822 -3.832 1.00 0.00 N ATOM 1134 CA GLY A 84 14.890 5.872 -4.342 1.00 0.00 C ATOM 1135 C GLY A 84 14.277 4.513 -4.596 1.00 0.00 C ATOM 1136 O GLY A 84 13.102 4.293 -4.299 1.00 0.00 O ATOM 0 H GLY A 84 13.169 7.057 -4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.318 6.254 -5.269 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.709 5.772 -3.630 1.00 0.00 H new ATOM 1140 N THR A 85 15.064 3.608 -5.149 1.00 0.00 N ATOM 1141 CA THR A 85 14.596 2.266 -5.449 1.00 0.00 C ATOM 1142 C THR A 85 14.587 1.386 -4.198 1.00 0.00 C ATOM 1143 O THR A 85 15.545 1.374 -3.421 1.00 0.00 O ATOM 1144 CB THR A 85 15.479 1.615 -6.533 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.663 2.530 -7.625 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.849 0.330 -7.053 1.00 0.00 C ATOM 0 H THR A 85 16.037 3.780 -5.401 1.00 0.00 H new ATOM 0 HA THR A 85 13.574 2.351 -5.819 1.00 0.00 H new ATOM 0 HB THR A 85 16.443 1.373 -6.085 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.226 2.113 -8.310 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.493 -0.108 -7.816 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.730 -0.375 -6.231 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.873 0.552 -7.485 1.00 0.00 H new ATOM 1154 N VAL A 86 13.494 0.664 -4.001 1.00 0.00 N ATOM 1155 CA VAL A 86 13.360 -0.227 -2.863 1.00 0.00 C ATOM 1156 C VAL A 86 13.370 -1.670 -3.343 1.00 0.00 C ATOM 1157 O VAL A 86 12.470 -2.105 -4.066 1.00 0.00 O ATOM 1158 CB VAL A 86 12.068 0.040 -2.065 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.168 -0.551 -0.668 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.777 1.529 -1.994 1.00 0.00 C ATOM 0 H VAL A 86 12.683 0.680 -4.620 1.00 0.00 H new ATOM 0 HA VAL A 86 14.204 -0.042 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 86 11.242 -0.445 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.246 -0.351 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.322 -1.628 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.008 -0.098 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.861 1.694 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.606 2.039 -1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.655 1.924 -3.002 1.00 0.00 H new ATOM 1170 N ASP A 87 14.403 -2.401 -2.972 1.00 0.00 N ATOM 1171 CA ASP A 87 14.525 -3.792 -3.377 1.00 0.00 C ATOM 1172 C ASP A 87 14.166 -4.722 -2.228 1.00 0.00 C ATOM 1173 O ASP A 87 14.836 -4.744 -1.198 1.00 0.00 O ATOM 1174 CB ASP A 87 15.942 -4.085 -3.868 1.00 0.00 C ATOM 1175 CG ASP A 87 16.136 -5.543 -4.230 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.748 -5.941 -5.345 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.680 -6.300 -3.399 1.00 0.00 O ATOM 0 H ASP A 87 15.169 -2.058 -2.392 1.00 0.00 H new ATOM 0 HA ASP A 87 13.827 -3.968 -4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.158 -3.465 -4.738 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.657 -3.807 -3.094 1.00 0.00 H new ATOM 1182 N CYS A 88 13.117 -5.497 -2.423 1.00 0.00 N ATOM 1183 CA CYS A 88 12.650 -6.429 -1.412 1.00 0.00 C ATOM 1184 C CYS A 88 13.150 -7.842 -1.688 1.00 0.00 C ATOM 1185 O CYS A 88 12.556 -8.815 -1.230 1.00 0.00 O ATOM 1186 CB CYS A 88 11.122 -6.427 -1.356 1.00 0.00 C ATOM 1187 SG CYS A 88 10.395 -4.825 -0.880 1.00 0.00 S ATOM 0 H CYS A 88 12.566 -5.500 -3.281 1.00 0.00 H new ATOM 0 HA CYS A 88 13.050 -6.104 -0.451 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.733 -6.714 -2.333 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.794 -7.187 -0.647 1.00 0.00 H new ATOM 1192 N THR A 89 14.242 -7.961 -2.438 1.00 0.00 N ATOM 1193 CA THR A 89 14.803 -9.269 -2.742 1.00 0.00 C ATOM 1194 C THR A 89 15.415 -9.867 -1.480 1.00 0.00 C ATOM 1195 O THR A 89 15.271 -11.058 -1.208 1.00 0.00 O ATOM 1196 CB THR A 89 15.865 -9.192 -3.862 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.324 -8.506 -4.999 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.323 -10.581 -4.280 1.00 0.00 C ATOM 0 H THR A 89 14.750 -7.174 -2.842 1.00 0.00 H new ATOM 0 HA THR A 89 13.996 -9.908 -3.100 1.00 0.00 H new ATOM 0 HB THR A 89 16.725 -8.646 -3.475 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.869 -7.715 -5.193 1.00 0.00 H new ATOM 0 HG21 THR A 89 17.070 -10.496 -5.069 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.758 -11.094 -3.422 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.469 -11.150 -4.648 1.00 0.00 H new ATOM 1206 N THR A 90 16.078 -9.025 -0.702 1.00 0.00 N ATOM 1207 CA THR A 90 16.687 -9.463 0.540 1.00 0.00 C ATOM 1208 C THR A 90 16.142 -8.642 1.714 1.00 0.00 C ATOM 1209 O THR A 90 16.533 -8.839 2.867 1.00 0.00 O ATOM 1210 CB THR A 90 18.230 -9.355 0.474 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.833 -10.134 1.515 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.693 -7.909 0.592 1.00 0.00 C ATOM 0 H THR A 90 16.207 -8.035 -0.911 1.00 0.00 H new ATOM 0 HA THR A 90 16.431 -10.511 0.693 1.00 0.00 H new ATOM 0 HB THR A 90 18.542 -9.741 -0.497 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.337 -10.003 2.350 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.781 -7.870 0.542 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.271 -7.324 -0.225 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.359 -7.496 1.544 1.00 0.00 H new ATOM 1220 N ALA A 91 15.217 -7.733 1.413 1.00 0.00 N ATOM 1221 CA ALA A 91 14.619 -6.880 2.430 1.00 0.00 C ATOM 1222 C ALA A 91 13.166 -7.265 2.668 1.00 0.00 C ATOM 1223 O ALA A 91 12.488 -7.757 1.762 1.00 0.00 O ATOM 1224 CB ALA A 91 14.728 -5.417 2.026 1.00 0.00 C ATOM 0 H ALA A 91 14.866 -7.570 0.469 1.00 0.00 H new ATOM 0 HA ALA A 91 15.165 -7.022 3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.276 -4.792 2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.778 -5.149 1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.208 -5.261 1.081 1.00 0.00 H new ATOM 1230 N ALA A 92 12.698 -7.046 3.885 1.00 0.00 N ATOM 1231 CA ALA A 92 11.331 -7.375 4.250 1.00 0.00 C ATOM 1232 C ALA A 92 10.351 -6.363 3.663 1.00 0.00 C ATOM 1233 O ALA A 92 10.272 -5.218 4.114 1.00 0.00 O ATOM 1234 CB ALA A 92 11.185 -7.436 5.762 1.00 0.00 C ATOM 0 H ALA A 92 13.249 -6.639 4.641 1.00 0.00 H new ATOM 0 HA ALA A 92 11.097 -8.356 3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 92 10.155 -7.684 6.018 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.852 -8.200 6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.443 -6.468 6.192 1.00 0.00 H new ATOM 1240 N CYS A 93 9.618 -6.794 2.650 1.00 0.00 N ATOM 1241 CA CYS A 93 8.640 -5.938 1.995 1.00 0.00 C ATOM 1242 C CYS A 93 7.365 -5.858 2.825 1.00 0.00 C ATOM 1243 O CYS A 93 7.071 -6.753 3.612 1.00 0.00 O ATOM 1244 CB CYS A 93 8.322 -6.475 0.597 1.00 0.00 C ATOM 1245 SG CYS A 93 8.410 -5.219 -0.722 1.00 0.00 S ATOM 0 H CYS A 93 9.681 -7.735 2.261 1.00 0.00 H new ATOM 0 HA CYS A 93 9.061 -4.937 1.903 1.00 0.00 H new ATOM 0 HB2 CYS A 93 9.017 -7.281 0.363 1.00 0.00 H new ATOM 0 HB3 CYS A 93 7.322 -6.908 0.605 1.00 0.00 H new ATOM 1250 N GLN A 94 6.614 -4.784 2.650 1.00 0.00 N ATOM 1251 CA GLN A 94 5.372 -4.583 3.380 1.00 0.00 C ATOM 1252 C GLN A 94 4.384 -3.840 2.496 1.00 0.00 C ATOM 1253 O GLN A 94 4.753 -3.358 1.424 1.00 0.00 O ATOM 1254 CB GLN A 94 5.632 -3.820 4.684 1.00 0.00 C ATOM 1255 CG GLN A 94 6.738 -2.783 4.579 1.00 0.00 C ATOM 1256 CD GLN A 94 7.512 -2.608 5.870 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.142 -1.812 6.728 1.00 0.00 O ATOM 1258 NE2 GLN A 94 8.601 -3.348 6.011 1.00 0.00 N ATOM 0 H GLN A 94 6.845 -4.031 2.002 1.00 0.00 H new ATOM 0 HA GLN A 94 4.946 -5.551 3.646 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.712 -3.325 4.994 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.889 -4.534 5.466 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.427 -3.074 3.786 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.304 -1.826 4.289 1.00 0.00 H new ATOM 0 HE21 GLN A 94 8.875 -3.998 5.274 1.00 0.00 H new ATOM 0 HE22 GLN A 94 9.166 -3.268 6.856 1.00 0.00 H new ATOM 1267 N VAL A 95 3.133 -3.761 2.927 1.00 0.00 N ATOM 1268 CA VAL A 95 2.108 -3.085 2.145 1.00 0.00 C ATOM 1269 C VAL A 95 1.464 -1.950 2.944 1.00 0.00 C ATOM 1270 O VAL A 95 1.292 -2.049 4.161 1.00 0.00 O ATOM 1271 CB VAL A 95 1.029 -4.084 1.655 1.00 0.00 C ATOM 1272 CG1 VAL A 95 0.252 -4.675 2.821 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.085 -3.428 0.660 1.00 0.00 C ATOM 0 H VAL A 95 2.805 -4.154 3.809 1.00 0.00 H new ATOM 0 HA VAL A 95 2.594 -2.653 1.270 1.00 0.00 H new ATOM 0 HB VAL A 95 1.545 -4.899 1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.497 -5.371 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.937 -5.203 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.242 -3.875 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.661 -4.153 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.414 -2.583 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.652 -3.078 -0.203 1.00 0.00 H new ATOM 1283 N GLY A 96 1.123 -0.870 2.254 1.00 0.00 N ATOM 1284 CA GLY A 96 0.512 0.265 2.907 1.00 0.00 C ATOM 1285 C GLY A 96 -0.721 0.751 2.175 1.00 0.00 C ATOM 1286 O GLY A 96 -0.768 0.737 0.944 1.00 0.00 O ATOM 0 H GLY A 96 1.260 -0.762 1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.243 -0.007 3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.236 1.077 2.974 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.721 1.174 2.934 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.966 1.670 2.366 1.00 0.00 C ATOM 1292 C LEU A 97 -3.469 2.869 3.167 1.00 0.00 C ATOM 1293 O LEU A 97 -3.704 2.763 4.370 1.00 0.00 O ATOM 1294 CB LEU A 97 -4.033 0.564 2.344 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.310 -0.129 3.686 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -5.766 -0.556 3.767 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.400 -1.335 3.871 1.00 0.00 C ATOM 0 H LEU A 97 -1.693 1.183 3.954 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.774 1.984 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.966 0.994 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.728 -0.194 1.622 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.104 0.583 4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.949 -1.046 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.408 0.321 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.987 -1.250 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.615 -1.809 4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.573 -2.049 3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.359 -1.012 3.852 1.00 0.00 H new ATOM 1309 N SER A 98 -3.612 4.011 2.506 1.00 0.00 N ATOM 1310 CA SER A 98 -4.089 5.222 3.162 1.00 0.00 C ATOM 1311 C SER A 98 -4.656 6.198 2.139 1.00 0.00 C ATOM 1312 O SER A 98 -4.413 6.063 0.941 1.00 0.00 O ATOM 1313 CB SER A 98 -2.952 5.885 3.947 1.00 0.00 C ATOM 1314 OG SER A 98 -2.590 5.105 5.075 1.00 0.00 O ATOM 0 H SER A 98 -3.404 4.124 1.514 1.00 0.00 H new ATOM 0 HA SER A 98 -4.883 4.946 3.856 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.086 6.016 3.298 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.261 6.879 4.272 1.00 0.00 H new ATOM 0 HG SER A 98 -3.167 4.315 5.125 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.417 7.178 2.609 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.016 8.173 1.722 1.00 0.00 C ATOM 1322 C ASP A 99 -4.999 9.254 1.353 1.00 0.00 C ATOM 1323 O ASP A 99 -3.813 9.132 1.655 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.250 8.808 2.376 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.891 9.894 3.371 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.310 9.573 4.424 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.190 11.075 3.098 1.00 0.00 O ATOM 0 H ASP A 99 -5.635 7.307 3.597 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.328 7.666 0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.891 9.228 1.601 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.827 8.034 2.882 1.00 0.00 H new ATOM 1332 N ALA A 100 -5.473 10.317 0.712 1.00 0.00 N ATOM 1333 CA ALA A 100 -4.613 11.419 0.294 1.00 0.00 C ATOM 1334 C ALA A 100 -3.933 12.094 1.489 1.00 0.00 C ATOM 1335 O ALA A 100 -2.828 12.623 1.367 1.00 0.00 O ATOM 1336 CB ALA A 100 -5.417 12.431 -0.506 1.00 0.00 C ATOM 0 H ALA A 100 -6.456 10.439 0.469 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.825 11.009 -0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.767 13.250 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.835 11.948 -1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.226 12.822 0.111 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.592 12.068 2.644 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.040 12.669 3.857 1.00 0.00 C ATOM 1344 C ALA A 101 -3.100 11.700 4.569 1.00 0.00 C ATOM 1345 O ALA A 101 -2.427 12.063 5.537 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.156 13.104 4.796 1.00 0.00 C ATOM 0 H ALA A 101 -5.509 11.638 2.767 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.467 13.549 3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.724 13.549 5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.788 13.838 4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.756 12.238 5.074 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.061 10.469 4.085 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.206 9.465 4.679 1.00 0.00 C ATOM 1354 C GLY A 102 -2.810 8.861 5.930 1.00 0.00 C ATOM 1355 O GLY A 102 -2.087 8.517 6.866 1.00 0.00 O ATOM 0 H GLY A 102 -3.609 10.146 3.288 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.018 8.675 3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.242 9.911 4.923 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.133 8.741 5.951 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.832 8.168 7.093 1.00 0.00 C ATOM 1361 C ASN A 103 -5.586 6.912 6.682 1.00 0.00 C ATOM 1362 O ASN A 103 -5.736 6.629 5.491 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.810 9.174 7.705 1.00 0.00 C ATOM 1364 CG ASN A 103 -5.130 10.221 8.567 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.978 10.064 8.978 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -5.846 11.293 8.860 1.00 0.00 N ATOM 0 H ASN A 103 -4.743 9.034 5.188 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.083 7.910 7.842 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.357 9.672 6.905 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.543 8.638 8.307 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.448 12.027 9.446 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.796 11.386 8.500 1.00 0.00 H new ATOM 1373 N GLY A 104 -6.065 6.172 7.670 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.784 4.946 7.409 1.00 0.00 C ATOM 1375 C GLY A 104 -6.233 3.805 8.234 1.00 0.00 C ATOM 1376 O GLY A 104 -5.706 4.034 9.323 1.00 0.00 O ATOM 0 H GLY A 104 -5.966 6.404 8.658 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.841 5.085 7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.715 4.699 6.350 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.349 2.559 7.755 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.825 1.392 8.465 1.00 0.00 C ATOM 1382 C PRO A 105 -4.300 1.402 8.492 1.00 0.00 C ATOM 1383 O PRO A 105 -3.660 2.162 7.758 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.345 0.197 7.652 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.404 0.755 6.761 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.007 2.179 6.498 1.00 0.00 C ATOM 0 HA PRO A 105 -6.142 1.365 9.508 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.544 -0.261 7.071 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.749 -0.577 8.305 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.471 0.190 5.832 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.383 0.703 7.237 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.333 2.262 5.645 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.871 2.809 6.285 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.719 0.563 9.337 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.273 0.488 9.454 1.00 0.00 C ATOM 1396 C GLU A 106 -1.681 -0.386 8.361 1.00 0.00 C ATOM 1397 O GLU A 106 -2.403 -1.095 7.660 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.879 -0.060 10.819 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.325 0.996 11.752 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.434 0.402 12.812 1.00 0.00 C ATOM 1401 OE1 GLU A 106 0.670 -0.069 12.465 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.842 0.386 13.992 1.00 0.00 O ATOM 0 H GLU A 106 -4.227 -0.074 9.950 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.876 1.497 9.344 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.750 -0.523 11.282 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.134 -0.845 10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.762 1.730 11.175 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.149 1.528 12.228 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.362 -0.329 8.225 1.00 0.00 N ATOM 1410 CA GLY A 107 0.322 -1.123 7.229 1.00 0.00 C ATOM 1411 C GLY A 107 0.473 -2.562 7.675 1.00 0.00 C ATOM 1412 O GLY A 107 0.542 -2.841 8.875 1.00 0.00 O ATOM 0 H GLY A 107 0.248 0.259 8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.232 -1.088 6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.306 -0.696 7.034 1.00 0.00 H new ATOM 1416 N VAL A 108 0.534 -3.473 6.718 1.00 0.00 N ATOM 1417 CA VAL A 108 0.666 -4.889 7.022 1.00 0.00 C ATOM 1418 C VAL A 108 2.025 -5.406 6.571 1.00 0.00 C ATOM 1419 O VAL A 108 2.458 -5.144 5.443 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.443 -5.719 6.338 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.352 -7.183 6.738 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.814 -5.161 6.678 1.00 0.00 C ATOM 0 H VAL A 108 0.494 -3.257 5.722 1.00 0.00 H new ATOM 0 HA VAL A 108 0.570 -4.999 8.102 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.298 -5.651 5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.144 -7.745 6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.617 -7.582 6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.464 -7.273 7.818 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.582 -5.759 6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.963 -5.194 7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.882 -4.129 6.334 1.00 0.00 H new ATOM 1432 N ALA A 109 2.698 -6.127 7.457 1.00 0.00 N ATOM 1433 CA ALA A 109 4.000 -6.689 7.152 1.00 0.00 C ATOM 1434 C ALA A 109 3.839 -8.043 6.477 1.00 0.00 C ATOM 1435 O ALA A 109 3.224 -8.954 7.033 1.00 0.00 O ATOM 1436 CB ALA A 109 4.832 -6.822 8.419 1.00 0.00 C ATOM 0 H ALA A 109 2.359 -6.335 8.396 1.00 0.00 H new ATOM 0 HA ALA A 109 4.520 -6.017 6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.806 -7.245 8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.967 -5.839 8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.320 -7.477 9.124 1.00 0.00 H new ATOM 1442 N ILE A 110 4.371 -8.169 5.272 1.00 0.00 N ATOM 1443 CA ILE A 110 4.271 -9.414 4.533 1.00 0.00 C ATOM 1444 C ILE A 110 5.631 -10.089 4.449 1.00 0.00 C ATOM 1445 O ILE A 110 6.658 -9.477 4.734 1.00 0.00 O ATOM 1446 CB ILE A 110 3.708 -9.204 3.108 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.664 -8.353 2.265 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.331 -8.556 3.175 1.00 0.00 C ATOM 1449 CD1 ILE A 110 4.333 -8.357 0.789 1.00 0.00 C ATOM 0 H ILE A 110 4.875 -7.426 4.787 1.00 0.00 H new ATOM 0 HA ILE A 110 3.575 -10.053 5.076 1.00 0.00 H new ATOM 0 HB ILE A 110 3.611 -10.178 2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.643 -7.327 2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.681 -8.720 2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.946 -8.414 2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.653 -9.200 3.734 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.407 -7.590 3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.050 -7.735 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.382 -9.377 0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.328 -7.962 0.640 1.00 0.00 H new ATOM 1461 N SER A 111 5.639 -11.355 4.081 1.00 0.00 N ATOM 1462 CA SER A 111 6.877 -12.097 3.963 1.00 0.00 C ATOM 1463 C SER A 111 6.731 -13.196 2.927 1.00 0.00 C ATOM 1464 O SER A 111 5.717 -13.894 2.890 1.00 0.00 O ATOM 1465 CB SER A 111 7.273 -12.693 5.315 1.00 0.00 C ATOM 1466 OG SER A 111 7.525 -11.677 6.274 1.00 0.00 O ATOM 0 H SER A 111 4.800 -11.891 3.858 1.00 0.00 H new ATOM 0 HA SER A 111 7.663 -11.414 3.642 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.477 -13.345 5.674 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.162 -13.312 5.195 1.00 0.00 H new ATOM 0 HG SER A 111 7.774 -12.088 7.128 1.00 0.00 H new ATOM 1472 N PHE A 112 7.732 -13.331 2.076 1.00 0.00 N ATOM 1473 CA PHE A 112 7.716 -14.348 1.042 1.00 0.00 C ATOM 1474 C PHE A 112 8.248 -15.661 1.602 1.00 0.00 C ATOM 1475 O PHE A 112 8.773 -15.697 2.716 1.00 0.00 O ATOM 1476 CB PHE A 112 8.559 -13.902 -0.156 1.00 0.00 C ATOM 1477 CG PHE A 112 8.200 -12.538 -0.679 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.119 -12.371 -1.530 1.00 0.00 C ATOM 1479 CD2 PHE A 112 8.945 -11.427 -0.326 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.791 -11.121 -2.018 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.622 -10.174 -0.808 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.542 -10.021 -1.656 1.00 0.00 C ATOM 0 H PHE A 112 8.568 -12.747 2.081 1.00 0.00 H new ATOM 0 HA PHE A 112 6.690 -14.495 0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.611 -13.905 0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.445 -14.630 -0.959 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.526 -13.228 -1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 112 9.791 -11.541 0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.947 -11.005 -2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.212 -9.316 -0.523 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.286 -9.043 -2.035 1.00 0.00 H new ATOM 1492 N ASN A 113 8.117 -16.731 0.839 1.00 0.00 N ATOM 1493 CA ASN A 113 8.592 -18.038 1.279 1.00 0.00 C ATOM 1494 C ASN A 113 10.030 -18.248 0.838 1.00 0.00 C ATOM 1495 O ASN A 113 10.728 -19.080 1.458 1.00 0.00 O ATOM 1496 CB ASN A 113 7.704 -19.169 0.743 1.00 0.00 C ATOM 1497 CG ASN A 113 7.613 -19.182 -0.770 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.459 -19.756 -1.456 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.568 -18.573 -1.294 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.468 -17.564 -0.114 1.00 0.00 O ATOM 0 H ASN A 113 7.688 -16.725 -0.086 1.00 0.00 H new ATOM 0 HA ASN A 113 8.543 -18.062 2.368 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.097 -20.126 1.086 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.703 -19.067 1.161 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.436 -18.565 -2.305 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.891 -18.110 -0.688 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 3.920 6.135 4.670 1.00 20.00 O HETATM 1509 C8A FLN A 114 4.864 7.117 4.405 1.00 20.00 C HETATM 1510 C4A FLN A 114 5.412 7.296 3.125 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.965 6.399 2.024 1.00 20.00 C HETATM 1512 C3 FLN A 114 3.972 5.387 2.376 1.00 20.00 C HETATM 1513 C2 FLN A 114 3.494 5.288 3.647 1.00 20.00 C HETATM 1514 C1' FLN A 114 2.486 4.346 4.254 1.00 20.00 C HETATM 1515 C2' FLN A 114 2.903 3.310 5.090 1.00 20.00 C HETATM 1516 C3' FLN A 114 1.960 2.443 5.643 1.00 20.00 C HETATM 1517 C4' FLN A 114 0.584 2.560 5.400 1.00 20.00 C HETATM 1518 C5' FLN A 114 0.212 3.614 4.554 1.00 20.00 C HETATM 1519 C6' FLN A 114 1.129 4.494 3.987 1.00 20.00 C HETATM 1520 O4 FLN A 114 5.417 6.512 0.881 1.00 20.00 O HETATM 1521 C5 FLN A 114 6.370 8.321 2.922 1.00 20.00 C HETATM 1522 C6 FLN A 114 6.754 9.138 3.998 1.00 20.00 C HETATM 1523 C7 FLN A 114 6.179 8.928 5.270 1.00 20.00 C HETATM 1524 C8 FLN A 114 5.235 7.922 5.475 1.00 20.00 C HETATM 0 H8 FLN A 114 4.795 7.769 6.460 1.00 20.00 H new HETATM 0 H7 FLN A 114 6.477 9.562 6.105 1.00 20.00 H new HETATM 0 H6' FLN A 114 0.785 5.297 3.335 1.00 20.00 H new HETATM 0 H6 FLN A 114 7.490 9.928 3.852 1.00 20.00 H new HETATM 0 H5' FLN A 114 -0.846 3.751 4.330 1.00 20.00 H new HETATM 0 H5 FLN A 114 6.807 8.474 1.935 1.00 20.00 H new HETATM 0 H4' FLN A 114 -0.145 1.879 5.838 1.00 20.00 H new HETATM 0 H3' FLN A 114 2.308 1.640 6.292 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.609 4.702 1.610 1.00 20.00 H new HETATM 0 H2' FLN A 114 3.962 3.178 5.311 1.00 20.00 H new