USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 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 52 THR OG1 : rot 108:sc= 0.927 USER MOD Set 1.2: A 71 TYR OH : rot -102:sc= 0.0662 USER MOD Set 1.3: A 75 HIS : no HD1:sc= 0.306 K(o=1.3,f=0.28) USER MOD Set 2.1: A 24 ASN : amide:sc= -0.845 K(o=-2.8,f=-1.1) USER MOD Set 2.2: A 66 GLN : amide:sc= -1.99 K(o=-2.8,f=-2.2!) USER MOD Single : A 1 SER N :NH3+ -128:sc= 0.192 (180deg=-0.406) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 8 LYS NZ :NH3+ -145:sc= -4.11! (180deg=-5.59!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.548 X(o=-0.55,f=-0.36) USER MOD Single : A 14 GLN : amide:sc= -4! C(o=-4!,f=-7.9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.345 K(o=-0.34,f=-2.8!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.4! USER MOD Single : A 25 ASN : amide:sc=-0.00334 X(o=-0.0033,f=-0.14) USER MOD Single : A 27 SER OG : rot -55:sc= -2.16! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -140:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -22:sc= -0.32! USER MOD Single : A 64 THR OG1 : rot -93:sc= 1.12 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.068 -9.623 -10.505 1.00 0.00 N ATOM 2 CA SER A 1 -2.170 -10.841 -9.718 1.00 0.00 C ATOM 3 C SER A 1 -3.276 -10.697 -8.671 1.00 0.00 C ATOM 4 O SER A 1 -3.981 -9.690 -8.643 1.00 0.00 O ATOM 5 CB SER A 1 -0.838 -11.172 -9.041 1.00 0.00 C ATOM 6 OG SER A 1 0.114 -11.695 -9.964 1.00 0.00 O ATOM 0 H1 SER A 1 -2.108 -9.859 -11.517 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.856 -8.988 -10.266 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.166 -9.149 -10.296 1.00 0.00 H new ATOM 0 HA SER A 1 -2.420 -11.662 -10.390 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.435 -10.273 -8.575 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.006 -11.896 -8.244 1.00 0.00 H new ATOM 0 HG SER A 1 0.951 -11.892 -9.494 1.00 0.00 H new ATOM 12 N THR A 2 -3.393 -11.719 -7.836 1.00 0.00 N ATOM 13 CA THR A 2 -4.401 -11.719 -6.790 1.00 0.00 C ATOM 14 C THR A 2 -3.876 -11.006 -5.543 1.00 0.00 C ATOM 15 O THR A 2 -4.482 -11.087 -4.475 1.00 0.00 O ATOM 16 CB THR A 2 -4.815 -13.169 -6.532 1.00 0.00 C ATOM 17 OG1 THR A 2 -3.608 -13.908 -6.693 1.00 0.00 O ATOM 18 CG2 THR A 2 -5.736 -13.718 -7.623 1.00 0.00 C ATOM 0 H THR A 2 -2.806 -12.553 -7.863 1.00 0.00 H new ATOM 0 HA THR A 2 -5.287 -11.162 -7.095 1.00 0.00 H new ATOM 0 HB THR A 2 -5.316 -13.237 -5.566 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.785 -14.860 -6.541 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.000 -14.750 -7.391 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.642 -13.114 -7.672 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.223 -13.682 -8.584 1.00 0.00 H new ATOM 26 N ILE A 3 -2.754 -10.323 -5.719 1.00 0.00 N ATOM 27 CA ILE A 3 -2.140 -9.596 -4.621 1.00 0.00 C ATOM 28 C ILE A 3 -2.456 -8.106 -4.761 1.00 0.00 C ATOM 29 O ILE A 3 -2.945 -7.480 -3.822 1.00 0.00 O ATOM 30 CB ILE A 3 -0.643 -9.903 -4.546 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.128 -9.774 -3.111 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.146 -9.025 -5.520 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.364 -8.352 -2.831 1.00 0.00 C ATOM 0 H ILE A 3 -2.254 -10.258 -6.606 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.557 -9.922 -3.668 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.491 -10.938 -4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.923 -10.032 -2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.684 -10.483 -2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.207 -9.263 -5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.198 -9.210 -6.538 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.008 -7.975 -5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.725 -8.287 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.175 -8.106 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.457 -7.649 -2.972 1.00 0.00 H new ATOM 45 N GLU A 4 -2.164 -7.580 -5.942 1.00 0.00 N ATOM 46 CA GLU A 4 -2.411 -6.175 -6.217 1.00 0.00 C ATOM 47 C GLU A 4 -3.859 -5.815 -5.880 1.00 0.00 C ATOM 48 O GLU A 4 -4.133 -4.718 -5.395 1.00 0.00 O ATOM 49 CB GLU A 4 -2.086 -5.837 -7.674 1.00 0.00 C ATOM 50 CG GLU A 4 -3.032 -6.566 -8.630 1.00 0.00 C ATOM 51 CD GLU A 4 -2.882 -6.038 -10.058 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.823 -4.817 -10.264 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.826 -6.946 -10.972 1.00 0.00 O ATOM 0 H GLU A 4 -1.759 -8.102 -6.719 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.753 -5.579 -5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.166 -4.761 -7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.055 -6.115 -7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.822 -7.635 -8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.062 -6.437 -8.297 1.00 0.00 H new ATOM 61 N GLU A 5 -4.749 -6.759 -6.151 1.00 0.00 N ATOM 62 CA GLU A 5 -6.162 -6.555 -5.883 1.00 0.00 C ATOM 63 C GLU A 5 -6.408 -6.460 -4.375 1.00 0.00 C ATOM 64 O GLU A 5 -7.301 -5.739 -3.932 1.00 0.00 O ATOM 65 CB GLU A 5 -7.005 -7.668 -6.507 1.00 0.00 C ATOM 66 CG GLU A 5 -6.485 -9.047 -6.095 1.00 0.00 C ATOM 67 CD GLU A 5 -7.517 -10.135 -6.396 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.976 -10.255 -7.542 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.841 -10.873 -5.388 1.00 0.00 O ATOM 0 H GLU A 5 -4.518 -7.667 -6.554 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.466 -5.614 -6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.044 -7.560 -6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.986 -7.578 -7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.558 -9.263 -6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.250 -9.048 -5.031 1.00 0.00 H new ATOM 77 N ARG A 6 -5.600 -7.199 -3.629 1.00 0.00 N ATOM 78 CA ARG A 6 -5.719 -7.208 -2.181 1.00 0.00 C ATOM 79 C ARG A 6 -4.943 -6.036 -1.578 1.00 0.00 C ATOM 80 O ARG A 6 -5.015 -5.793 -0.374 1.00 0.00 O ATOM 81 CB ARG A 6 -5.190 -8.518 -1.593 1.00 0.00 C ATOM 82 CG ARG A 6 -6.196 -9.653 -1.789 1.00 0.00 C ATOM 83 CD ARG A 6 -5.507 -11.017 -1.707 1.00 0.00 C ATOM 84 NE ARG A 6 -5.207 -11.348 -0.296 1.00 0.00 N ATOM 85 CZ ARG A 6 -4.874 -12.583 0.137 1.00 0.00 C ATOM 86 NH1 ARG A 6 -4.797 -13.615 -0.729 1.00 0.00 N ATOM 87 NH2 ARG A 6 -4.627 -12.765 1.421 1.00 0.00 N ATOM 0 H ARG A 6 -4.861 -7.796 -4.000 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.776 -7.113 -1.934 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.245 -8.779 -2.069 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.986 -8.388 -0.530 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.975 -9.589 -1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.686 -9.547 -2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.148 -11.784 -2.141 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.586 -11.004 -2.290 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.255 -10.597 0.392 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.991 -13.465 -1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.545 -14.545 -0.393 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.689 -11.979 2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.374 -13.691 1.765 1.00 0.00 H new ATOM 100 N VAL A 7 -4.219 -5.339 -2.442 1.00 0.00 N ATOM 101 CA VAL A 7 -3.431 -4.198 -2.009 1.00 0.00 C ATOM 102 C VAL A 7 -4.329 -2.961 -1.937 1.00 0.00 C ATOM 103 O VAL A 7 -4.139 -2.101 -1.078 1.00 0.00 O ATOM 104 CB VAL A 7 -2.229 -4.011 -2.937 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.608 -2.624 -2.757 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.188 -5.110 -2.715 1.00 0.00 C ATOM 0 H VAL A 7 -4.162 -5.543 -3.440 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.030 -4.367 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.584 -4.089 -3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.756 -2.517 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.350 -1.860 -2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.275 -2.505 -1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.344 -4.953 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.840 -5.078 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.637 -6.083 -2.917 1.00 0.00 H new ATOM 116 N LYS A 8 -5.287 -2.911 -2.850 1.00 0.00 N ATOM 117 CA LYS A 8 -6.215 -1.794 -2.901 1.00 0.00 C ATOM 118 C LYS A 8 -7.020 -1.746 -1.601 1.00 0.00 C ATOM 119 O LYS A 8 -7.301 -0.668 -1.080 1.00 0.00 O ATOM 120 CB LYS A 8 -7.082 -1.874 -4.159 1.00 0.00 C ATOM 121 CG LYS A 8 -6.221 -2.077 -5.407 1.00 0.00 C ATOM 122 CD LYS A 8 -4.984 -1.176 -5.372 1.00 0.00 C ATOM 123 CE LYS A 8 -4.506 -0.846 -6.787 1.00 0.00 C ATOM 124 NZ LYS A 8 -4.686 0.595 -7.071 1.00 0.00 N ATOM 0 H LYS A 8 -5.441 -3.626 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.673 -0.851 -2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.791 -2.696 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.666 -0.960 -4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.914 -3.120 -5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.809 -1.859 -6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.216 -0.254 -4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.185 -1.671 -4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.455 -1.116 -6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.063 -1.438 -7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.940 0.723 -8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.445 0.975 -6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.800 1.102 -6.871 1.00 0.00 H new ATOM 137 N LYS A 9 -7.369 -2.928 -1.114 1.00 0.00 N ATOM 138 CA LYS A 9 -8.137 -3.034 0.115 1.00 0.00 C ATOM 139 C LYS A 9 -7.283 -2.548 1.288 1.00 0.00 C ATOM 140 O LYS A 9 -7.768 -1.826 2.157 1.00 0.00 O ATOM 141 CB LYS A 9 -8.671 -4.457 0.291 1.00 0.00 C ATOM 142 CG LYS A 9 -7.534 -5.479 0.249 1.00 0.00 C ATOM 143 CD LYS A 9 -8.008 -6.847 0.745 1.00 0.00 C ATOM 144 CE LYS A 9 -7.045 -7.414 1.790 1.00 0.00 C ATOM 145 NZ LYS A 9 -7.707 -8.476 2.581 1.00 0.00 N ATOM 0 H LYS A 9 -7.134 -3.820 -1.548 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.016 -2.391 0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.200 -4.536 1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.393 -4.678 -0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.158 -5.568 -0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.705 -5.132 0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.005 -6.756 1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.085 -7.536 -0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.160 -7.817 1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.706 -6.617 2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.040 -8.851 3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.538 -8.081 3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.009 -9.244 1.948 1.00 0.00 H new ATOM 158 N ILE A 10 -6.025 -2.964 1.275 1.00 0.00 N ATOM 159 CA ILE A 10 -5.098 -2.580 2.326 1.00 0.00 C ATOM 160 C ILE A 10 -4.981 -1.055 2.365 1.00 0.00 C ATOM 161 O ILE A 10 -5.164 -0.442 3.416 1.00 0.00 O ATOM 162 CB ILE A 10 -3.758 -3.296 2.147 1.00 0.00 C ATOM 163 CG1 ILE A 10 -3.896 -4.795 2.421 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.673 -2.653 3.013 1.00 0.00 C ATOM 165 CD1 ILE A 10 -2.680 -5.562 1.896 1.00 0.00 C ATOM 0 H ILE A 10 -5.626 -3.564 0.553 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.474 -2.896 3.299 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.448 -3.186 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.003 -4.964 3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.802 -5.173 1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.731 -3.181 2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.552 -1.608 2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.963 -2.711 4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.803 -6.625 2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.591 -5.410 0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.779 -5.198 2.390 1.00 0.00 H new ATOM 177 N ILE A 11 -4.678 -0.487 1.208 1.00 0.00 N ATOM 178 CA ILE A 11 -4.534 0.954 1.096 1.00 0.00 C ATOM 179 C ILE A 11 -5.913 1.609 1.193 1.00 0.00 C ATOM 180 O ILE A 11 -6.026 2.776 1.564 1.00 0.00 O ATOM 181 CB ILE A 11 -3.768 1.320 -0.177 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.484 0.496 -0.299 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.492 2.823 -0.238 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.707 0.492 1.019 1.00 0.00 C ATOM 0 H ILE A 11 -4.528 -0.999 0.339 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.937 1.342 1.922 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.393 1.073 -1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.730 -0.527 -0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.859 0.906 -1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.947 3.056 -1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.437 3.367 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.896 3.119 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.799 -0.101 0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.441 1.514 1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.326 0.059 1.805 1.00 0.00 H new ATOM 196 N GLY A 12 -6.928 0.829 0.852 1.00 0.00 N ATOM 197 CA GLY A 12 -8.296 1.318 0.896 1.00 0.00 C ATOM 198 C GLY A 12 -8.804 1.397 2.337 1.00 0.00 C ATOM 199 O GLY A 12 -9.701 2.182 2.640 1.00 0.00 O ATOM 0 H GLY A 12 -6.831 -0.138 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.349 2.304 0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.941 0.658 0.315 1.00 0.00 H new ATOM 203 N GLN A 13 -8.209 0.572 3.186 1.00 0.00 N ATOM 204 CA GLN A 13 -8.591 0.539 4.588 1.00 0.00 C ATOM 205 C GLN A 13 -7.530 1.234 5.443 1.00 0.00 C ATOM 206 O GLN A 13 -7.846 2.135 6.220 1.00 0.00 O ATOM 207 CB GLN A 13 -8.820 -0.898 5.060 1.00 0.00 C ATOM 208 CG GLN A 13 -10.308 -1.171 5.287 1.00 0.00 C ATOM 209 CD GLN A 13 -10.884 -0.222 6.340 1.00 0.00 C ATOM 210 OE1 GLN A 13 -10.594 -0.314 7.521 1.00 0.00 O ATOM 211 NE2 GLN A 13 -11.715 0.693 5.847 1.00 0.00 N ATOM 0 H GLN A 13 -7.466 -0.078 2.931 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.532 1.078 4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.428 -1.595 4.319 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.270 -1.073 5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.851 -1.052 4.349 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.447 -2.203 5.607 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.915 0.714 4.847 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.152 1.373 6.469 1.00 0.00 H new ATOM 220 N GLN A 14 -6.293 0.791 5.272 1.00 0.00 N ATOM 221 CA GLN A 14 -5.184 1.359 6.019 1.00 0.00 C ATOM 222 C GLN A 14 -5.231 2.887 5.958 1.00 0.00 C ATOM 223 O GLN A 14 -5.408 3.547 6.981 1.00 0.00 O ATOM 224 CB GLN A 14 -3.845 0.831 5.499 1.00 0.00 C ATOM 225 CG GLN A 14 -3.658 -0.642 5.866 1.00 0.00 C ATOM 226 CD GLN A 14 -3.904 -0.872 7.358 1.00 0.00 C ATOM 227 OE1 GLN A 14 -3.019 -0.736 8.188 1.00 0.00 O ATOM 228 NE2 GLN A 14 -5.151 -1.226 7.653 1.00 0.00 N ATOM 0 H GLN A 14 -6.034 0.045 4.627 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.278 1.053 7.061 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.799 0.949 4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.030 1.421 5.918 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.344 -1.256 5.282 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.648 -0.959 5.607 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.843 -1.322 6.910 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.416 -1.402 8.622 1.00 0.00 H new ATOM 237 N LEU A 15 -5.071 3.405 4.749 1.00 0.00 N ATOM 238 CA LEU A 15 -5.093 4.843 4.542 1.00 0.00 C ATOM 239 C LEU A 15 -6.491 5.378 4.857 1.00 0.00 C ATOM 240 O LEU A 15 -6.632 6.416 5.503 1.00 0.00 O ATOM 241 CB LEU A 15 -4.605 5.189 3.134 1.00 0.00 C ATOM 242 CG LEU A 15 -3.365 4.435 2.649 1.00 0.00 C ATOM 243 CD1 LEU A 15 -2.473 5.338 1.796 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.602 3.821 3.825 1.00 0.00 C ATOM 0 H LEU A 15 -4.926 2.854 3.903 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.401 5.337 5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.418 5.000 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.394 6.258 3.097 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.692 3.613 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.599 4.777 1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.032 5.686 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.151 6.195 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.725 3.291 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.286 4.611 4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.250 3.123 4.355 1.00 0.00 H new ATOM 256 N GLY A 16 -7.490 4.645 4.387 1.00 0.00 N ATOM 257 CA GLY A 16 -8.872 5.033 4.611 1.00 0.00 C ATOM 258 C GLY A 16 -9.472 5.673 3.357 1.00 0.00 C ATOM 259 O GLY A 16 -9.791 6.861 3.354 1.00 0.00 O ATOM 0 H GLY A 16 -7.370 3.785 3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.458 4.158 4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.926 5.735 5.443 1.00 0.00 H new ATOM 263 N VAL A 17 -9.607 4.857 2.322 1.00 0.00 N ATOM 264 CA VAL A 17 -10.162 5.328 1.065 1.00 0.00 C ATOM 265 C VAL A 17 -11.168 4.302 0.540 1.00 0.00 C ATOM 266 O VAL A 17 -11.369 3.255 1.153 1.00 0.00 O ATOM 267 CB VAL A 17 -9.036 5.623 0.073 1.00 0.00 C ATOM 268 CG1 VAL A 17 -9.498 6.605 -1.006 1.00 0.00 C ATOM 269 CG2 VAL A 17 -7.793 6.148 0.794 1.00 0.00 C ATOM 0 H VAL A 17 -9.341 3.872 2.328 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.700 6.264 1.213 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.769 4.687 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.678 6.797 -1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.340 6.178 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.806 7.541 -0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.008 6.350 0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.041 7.068 1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.443 5.401 1.507 1.00 0.00 H new ATOM 279 N LYS A 18 -11.772 4.637 -0.591 1.00 0.00 N ATOM 280 CA LYS A 18 -12.752 3.758 -1.205 1.00 0.00 C ATOM 281 C LYS A 18 -12.040 2.795 -2.158 1.00 0.00 C ATOM 282 O LYS A 18 -10.830 2.893 -2.355 1.00 0.00 O ATOM 283 CB LYS A 18 -13.861 4.574 -1.872 1.00 0.00 C ATOM 284 CG LYS A 18 -14.761 5.233 -0.825 1.00 0.00 C ATOM 285 CD LYS A 18 -14.153 6.547 -0.329 1.00 0.00 C ATOM 286 CE LYS A 18 -15.056 7.209 0.714 1.00 0.00 C ATOM 287 NZ LYS A 18 -16.036 8.103 0.059 1.00 0.00 N ATOM 0 H LYS A 18 -11.601 5.505 -1.098 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.247 3.151 -0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.420 5.339 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.458 3.927 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.745 5.422 -1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.904 4.554 0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.171 6.357 0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.006 7.224 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.579 6.444 1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.450 7.778 1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.641 8.544 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.532 8.843 -0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.626 7.551 -0.596 1.00 0.00 H new ATOM 300 N GLN A 19 -12.821 1.886 -2.722 1.00 0.00 N ATOM 301 CA GLN A 19 -12.280 0.906 -3.649 1.00 0.00 C ATOM 302 C GLN A 19 -12.455 1.387 -5.091 1.00 0.00 C ATOM 303 O GLN A 19 -12.131 0.665 -6.033 1.00 0.00 O ATOM 304 CB GLN A 19 -12.934 -0.462 -3.444 1.00 0.00 C ATOM 305 CG GLN A 19 -14.396 -0.444 -3.895 1.00 0.00 C ATOM 306 CD GLN A 19 -15.337 -0.680 -2.712 1.00 0.00 C ATOM 307 OE1 GLN A 19 -14.933 -0.716 -1.561 1.00 0.00 O ATOM 308 NE2 GLN A 19 -16.612 -0.839 -3.058 1.00 0.00 N ATOM 0 H GLN A 19 -13.824 1.807 -2.555 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.214 0.796 -3.450 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.386 -1.219 -4.005 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.878 -0.742 -2.392 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.625 0.514 -4.361 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.557 -1.212 -4.651 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.883 -0.797 -4.041 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.319 -1.002 -2.341 1.00 0.00 H new ATOM 317 N GLU A 20 -12.966 2.602 -5.218 1.00 0.00 N ATOM 318 CA GLU A 20 -13.188 3.188 -6.529 1.00 0.00 C ATOM 319 C GLU A 20 -12.204 4.335 -6.772 1.00 0.00 C ATOM 320 O GLU A 20 -11.690 4.493 -7.878 1.00 0.00 O ATOM 321 CB GLU A 20 -14.634 3.664 -6.680 1.00 0.00 C ATOM 322 CG GLU A 20 -15.461 2.660 -7.485 1.00 0.00 C ATOM 323 CD GLU A 20 -16.386 3.376 -8.471 1.00 0.00 C ATOM 324 OE1 GLU A 20 -17.005 4.390 -8.115 1.00 0.00 O ATOM 325 OE2 GLU A 20 -16.449 2.844 -9.645 1.00 0.00 O ATOM 0 H GLU A 20 -13.233 3.198 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.013 2.420 -7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.080 3.801 -5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.651 4.635 -7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.796 1.988 -8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.053 2.045 -6.807 1.00 0.00 H new ATOM 333 N GLU A 21 -11.973 5.105 -5.719 1.00 0.00 N ATOM 334 CA GLU A 21 -11.060 6.233 -5.803 1.00 0.00 C ATOM 335 C GLU A 21 -9.610 5.749 -5.732 1.00 0.00 C ATOM 336 O GLU A 21 -8.696 6.452 -6.159 1.00 0.00 O ATOM 337 CB GLU A 21 -11.351 7.257 -4.705 1.00 0.00 C ATOM 338 CG GLU A 21 -12.470 8.211 -5.127 1.00 0.00 C ATOM 339 CD GLU A 21 -11.901 9.563 -5.564 1.00 0.00 C ATOM 340 OE1 GLU A 21 -11.013 9.612 -6.428 1.00 0.00 O ATOM 341 OE2 GLU A 21 -12.415 10.588 -4.972 1.00 0.00 O ATOM 0 H GLU A 21 -12.402 4.970 -4.803 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.211 6.727 -6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.635 6.741 -3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.448 7.826 -4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.039 7.770 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.163 8.355 -4.298 1.00 0.00 H new ATOM 349 N VAL A 22 -9.446 4.551 -5.189 1.00 0.00 N ATOM 350 CA VAL A 22 -8.123 3.966 -5.057 1.00 0.00 C ATOM 351 C VAL A 22 -7.714 3.333 -6.388 1.00 0.00 C ATOM 352 O VAL A 22 -8.296 2.335 -6.810 1.00 0.00 O ATOM 353 CB VAL A 22 -8.104 2.973 -3.893 1.00 0.00 C ATOM 354 CG1 VAL A 22 -6.978 1.951 -4.061 1.00 0.00 C ATOM 355 CG2 VAL A 22 -7.988 3.701 -2.552 1.00 0.00 C ATOM 0 H VAL A 22 -10.207 3.971 -4.836 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.387 4.736 -4.823 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.050 2.432 -3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.988 1.258 -3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.124 1.398 -4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.019 2.468 -4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.977 2.972 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.065 4.281 -2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.839 4.370 -2.426 1.00 0.00 H new ATOM 365 N THR A 23 -6.716 3.940 -7.014 1.00 0.00 N ATOM 366 CA THR A 23 -6.222 3.448 -8.289 1.00 0.00 C ATOM 367 C THR A 23 -4.744 3.070 -8.179 1.00 0.00 C ATOM 368 O THR A 23 -4.126 3.265 -7.133 1.00 0.00 O ATOM 369 CB THR A 23 -6.499 4.519 -9.347 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.504 5.510 -9.106 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.821 5.251 -9.108 1.00 0.00 C ATOM 0 H THR A 23 -6.236 4.768 -6.662 1.00 0.00 H new ATOM 0 HA THR A 23 -6.736 2.534 -8.587 1.00 0.00 H new ATOM 0 HB THR A 23 -6.514 4.058 -10.335 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.609 6.242 -9.749 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.968 5.999 -9.887 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.643 4.535 -9.132 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.795 5.740 -8.134 1.00 0.00 H new ATOM 379 N ASN A 24 -4.220 2.537 -9.272 1.00 0.00 N ATOM 380 CA ASN A 24 -2.825 2.130 -9.312 1.00 0.00 C ATOM 381 C ASN A 24 -1.934 3.361 -9.139 1.00 0.00 C ATOM 382 O ASN A 24 -0.970 3.332 -8.376 1.00 0.00 O ATOM 383 CB ASN A 24 -2.479 1.480 -10.653 1.00 0.00 C ATOM 384 CG ASN A 24 -2.789 -0.019 -10.632 1.00 0.00 C ATOM 385 OD1 ASN A 24 -1.918 -0.857 -10.465 1.00 0.00 O ATOM 386 ND2 ASN A 24 -4.075 -0.308 -10.811 1.00 0.00 N ATOM 0 H ASN A 24 -4.736 2.377 -10.137 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.661 1.411 -8.510 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.045 1.961 -11.451 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.423 1.634 -10.874 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.384 -1.280 -10.814 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.752 0.443 -10.945 1.00 0.00 H new ATOM 393 N ASN A 25 -2.288 4.414 -9.861 1.00 0.00 N ATOM 394 CA ASN A 25 -1.532 5.653 -9.797 1.00 0.00 C ATOM 395 C ASN A 25 -2.282 6.659 -8.921 1.00 0.00 C ATOM 396 O ASN A 25 -2.581 7.768 -9.361 1.00 0.00 O ATOM 397 CB ASN A 25 -1.365 6.269 -11.188 1.00 0.00 C ATOM 398 CG ASN A 25 -0.163 5.664 -11.915 1.00 0.00 C ATOM 399 OD1 ASN A 25 0.009 4.459 -11.987 1.00 0.00 O ATOM 400 ND2 ASN A 25 0.656 6.566 -12.448 1.00 0.00 N ATOM 0 H ASN A 25 -3.088 4.435 -10.493 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.550 5.427 -9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.269 6.104 -11.774 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.235 7.348 -11.099 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.488 6.263 -12.955 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.452 7.561 -12.350 1.00 0.00 H new ATOM 407 N ALA A 26 -2.564 6.235 -7.698 1.00 0.00 N ATOM 408 CA ALA A 26 -3.273 7.084 -6.757 1.00 0.00 C ATOM 409 C ALA A 26 -2.316 7.515 -5.644 1.00 0.00 C ATOM 410 O ALA A 26 -2.193 6.834 -4.627 1.00 0.00 O ATOM 411 CB ALA A 26 -4.496 6.340 -6.218 1.00 0.00 C ATOM 0 H ALA A 26 -2.314 5.314 -7.337 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.632 7.987 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.028 6.978 -5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.159 6.082 -7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.174 5.429 -5.713 1.00 0.00 H new ATOM 417 N SER A 27 -1.662 8.645 -5.873 1.00 0.00 N ATOM 418 CA SER A 27 -0.719 9.174 -4.903 1.00 0.00 C ATOM 419 C SER A 27 -1.469 9.684 -3.670 1.00 0.00 C ATOM 420 O SER A 27 -1.405 10.868 -3.345 1.00 0.00 O ATOM 421 CB SER A 27 0.126 10.295 -5.511 1.00 0.00 C ATOM 422 OG SER A 27 0.732 11.109 -4.511 1.00 0.00 O ATOM 0 H SER A 27 -1.767 9.209 -6.717 1.00 0.00 H new ATOM 0 HA SER A 27 -0.046 8.370 -4.605 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.900 9.862 -6.145 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.501 10.915 -6.152 1.00 0.00 H new ATOM 0 HG SER A 27 0.042 11.452 -3.906 1.00 0.00 H new ATOM 428 N PHE A 28 -2.162 8.763 -3.016 1.00 0.00 N ATOM 429 CA PHE A 28 -2.923 9.104 -1.826 1.00 0.00 C ATOM 430 C PHE A 28 -2.202 10.174 -1.003 1.00 0.00 C ATOM 431 O PHE A 28 -2.834 11.094 -0.486 1.00 0.00 O ATOM 432 CB PHE A 28 -3.041 7.828 -0.990 1.00 0.00 C ATOM 433 CG PHE A 28 -1.705 7.135 -0.720 1.00 0.00 C ATOM 434 CD1 PHE A 28 -0.860 7.631 0.223 1.00 0.00 C ATOM 435 CD2 PHE A 28 -1.361 6.022 -1.422 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.381 6.988 0.474 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.121 5.378 -1.172 1.00 0.00 C ATOM 438 CZ PHE A 28 0.725 5.875 -0.229 1.00 0.00 C ATOM 0 H PHE A 28 -2.212 7.781 -3.288 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.900 9.497 -2.108 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.511 8.072 -0.037 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.703 7.130 -1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.133 8.514 0.781 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.032 5.628 -2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.052 7.382 1.223 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.151 4.494 -1.730 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.669 5.386 -0.039 1.00 0.00 H new ATOM 448 N VAL A 29 -0.890 10.016 -0.906 1.00 0.00 N ATOM 449 CA VAL A 29 -0.077 10.957 -0.154 1.00 0.00 C ATOM 450 C VAL A 29 -0.527 12.384 -0.476 1.00 0.00 C ATOM 451 O VAL A 29 -1.101 13.064 0.372 1.00 0.00 O ATOM 452 CB VAL A 29 1.405 10.717 -0.445 1.00 0.00 C ATOM 453 CG1 VAL A 29 2.008 9.730 0.557 1.00 0.00 C ATOM 454 CG2 VAL A 29 1.610 10.233 -1.882 1.00 0.00 C ATOM 0 H VAL A 29 -0.370 9.251 -1.335 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.212 10.808 0.917 1.00 0.00 H new ATOM 0 HB VAL A 29 1.926 11.668 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.063 9.577 0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.911 10.131 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.481 8.778 0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.672 10.070 -2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.069 9.299 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.235 10.985 -2.576 1.00 0.00 H new ATOM 464 N GLU A 30 -0.247 12.795 -1.704 1.00 0.00 N ATOM 465 CA GLU A 30 -0.615 14.128 -2.149 1.00 0.00 C ATOM 466 C GLU A 30 -2.004 14.109 -2.792 1.00 0.00 C ATOM 467 O GLU A 30 -2.876 14.891 -2.416 1.00 0.00 O ATOM 468 CB GLU A 30 0.428 14.691 -3.116 1.00 0.00 C ATOM 469 CG GLU A 30 0.202 16.185 -3.358 1.00 0.00 C ATOM 470 CD GLU A 30 -0.736 16.412 -4.546 1.00 0.00 C ATOM 471 OE1 GLU A 30 -0.267 16.630 -5.673 1.00 0.00 O ATOM 472 OE2 GLU A 30 -1.994 16.354 -4.266 1.00 0.00 O ATOM 0 H GLU A 30 0.231 12.228 -2.405 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.647 14.784 -1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.428 14.532 -2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.378 14.154 -4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.221 16.642 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.157 16.675 -3.545 1.00 0.00 H new ATOM 480 N ASP A 31 -2.166 13.207 -3.749 1.00 0.00 N ATOM 481 CA ASP A 31 -3.433 13.076 -4.447 1.00 0.00 C ATOM 482 C ASP A 31 -4.580 13.213 -3.443 1.00 0.00 C ATOM 483 O ASP A 31 -5.398 14.126 -3.550 1.00 0.00 O ATOM 484 CB ASP A 31 -3.554 11.706 -5.118 1.00 0.00 C ATOM 485 CG ASP A 31 -4.343 11.695 -6.428 1.00 0.00 C ATOM 486 OD1 ASP A 31 -5.458 11.158 -6.498 1.00 0.00 O ATOM 487 OD2 ASP A 31 -3.759 12.278 -7.421 1.00 0.00 O ATOM 0 H ASP A 31 -1.440 12.560 -4.057 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.481 13.855 -5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.552 11.323 -5.312 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.029 11.017 -4.420 1.00 0.00 H new ATOM 493 N LEU A 32 -4.603 12.293 -2.490 1.00 0.00 N ATOM 494 CA LEU A 32 -5.635 12.300 -1.468 1.00 0.00 C ATOM 495 C LEU A 32 -5.098 12.985 -0.210 1.00 0.00 C ATOM 496 O LEU A 32 -5.019 14.212 -0.153 1.00 0.00 O ATOM 497 CB LEU A 32 -6.154 10.882 -1.221 1.00 0.00 C ATOM 498 CG LEU A 32 -6.903 10.229 -2.385 1.00 0.00 C ATOM 499 CD1 LEU A 32 -6.125 9.033 -2.936 1.00 0.00 C ATOM 500 CD2 LEU A 32 -8.327 9.847 -1.975 1.00 0.00 C ATOM 0 H LEU A 32 -3.923 11.538 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.497 12.877 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.308 10.247 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.816 10.905 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.984 10.958 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.679 8.588 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.150 9.366 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.991 8.292 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.837 9.385 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.290 9.142 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.870 10.741 -1.668 1.00 0.00 H new ATOM 512 N GLY A 33 -4.741 12.164 0.766 1.00 0.00 N ATOM 513 CA GLY A 33 -4.213 12.676 2.019 1.00 0.00 C ATOM 514 C GLY A 33 -3.852 11.533 2.970 1.00 0.00 C ATOM 515 O GLY A 33 -4.703 11.048 3.714 1.00 0.00 O ATOM 0 H GLY A 33 -4.807 11.147 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.330 13.284 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.950 13.326 2.490 1.00 0.00 H new ATOM 519 N ALA A 34 -2.590 11.136 2.915 1.00 0.00 N ATOM 520 CA ALA A 34 -2.106 10.059 3.762 1.00 0.00 C ATOM 521 C ALA A 34 -0.619 10.274 4.053 1.00 0.00 C ATOM 522 O ALA A 34 0.238 9.780 3.321 1.00 0.00 O ATOM 523 CB ALA A 34 -2.379 8.715 3.085 1.00 0.00 C ATOM 0 H ALA A 34 -1.887 11.541 2.297 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.632 10.056 4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.016 7.907 3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.451 8.598 2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.865 8.680 2.125 1.00 0.00 H new ATOM 529 N ASP A 35 -0.358 11.010 5.123 1.00 0.00 N ATOM 530 CA ASP A 35 1.010 11.296 5.519 1.00 0.00 C ATOM 531 C ASP A 35 1.230 10.821 6.957 1.00 0.00 C ATOM 532 O ASP A 35 2.152 11.277 7.631 1.00 0.00 O ATOM 533 CB ASP A 35 1.296 12.798 5.469 1.00 0.00 C ATOM 534 CG ASP A 35 2.608 13.185 4.783 1.00 0.00 C ATOM 535 OD1 ASP A 35 3.117 12.453 3.921 1.00 0.00 O ATOM 536 OD2 ASP A 35 3.117 14.305 5.171 1.00 0.00 O ATOM 0 H ASP A 35 -1.071 11.417 5.728 1.00 0.00 H new ATOM 0 HA ASP A 35 1.676 10.779 4.828 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.474 13.292 4.951 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.309 13.184 6.488 1.00 0.00 H new ATOM 542 N SER A 36 0.366 9.912 7.384 1.00 0.00 N ATOM 543 CA SER A 36 0.454 9.370 8.730 1.00 0.00 C ATOM 544 C SER A 36 0.422 7.841 8.681 1.00 0.00 C ATOM 545 O SER A 36 1.464 7.192 8.765 1.00 0.00 O ATOM 546 CB SER A 36 -0.681 9.897 9.611 1.00 0.00 C ATOM 547 OG SER A 36 -0.203 10.773 10.628 1.00 0.00 O ATOM 0 H SER A 36 -0.398 9.537 6.822 1.00 0.00 H new ATOM 0 HA SER A 36 1.398 9.694 9.168 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.407 10.423 8.991 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.203 9.058 10.071 1.00 0.00 H new ATOM 0 HG SER A 36 -0.957 11.090 11.168 1.00 0.00 H new ATOM 553 N LEU A 37 -0.784 7.310 8.546 1.00 0.00 N ATOM 554 CA LEU A 37 -0.965 5.870 8.485 1.00 0.00 C ATOM 555 C LEU A 37 -0.941 5.418 7.024 1.00 0.00 C ATOM 556 O LEU A 37 -1.577 4.427 6.666 1.00 0.00 O ATOM 557 CB LEU A 37 -2.233 5.457 9.236 1.00 0.00 C ATOM 558 CG LEU A 37 -2.564 6.269 10.490 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.047 6.644 10.524 1.00 0.00 C ATOM 560 CD2 LEU A 37 -2.132 5.524 11.755 1.00 0.00 C ATOM 0 H LEU A 37 -1.646 7.851 8.477 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.143 5.361 8.989 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.077 5.526 8.549 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.138 4.409 9.520 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.997 7.199 10.455 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.256 7.221 11.425 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.291 7.242 9.646 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.652 5.737 10.525 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.379 6.123 12.632 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.653 4.568 11.810 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.056 5.350 11.725 1.00 0.00 H new ATOM 572 N ASP A 38 -0.202 6.166 6.218 1.00 0.00 N ATOM 573 CA ASP A 38 -0.087 5.855 4.804 1.00 0.00 C ATOM 574 C ASP A 38 0.997 4.794 4.606 1.00 0.00 C ATOM 575 O ASP A 38 0.767 3.782 3.944 1.00 0.00 O ATOM 576 CB ASP A 38 0.312 7.093 3.998 1.00 0.00 C ATOM 577 CG ASP A 38 1.787 7.485 4.102 1.00 0.00 C ATOM 578 OD1 ASP A 38 2.227 8.054 5.112 1.00 0.00 O ATOM 579 OD2 ASP A 38 2.506 7.179 3.075 1.00 0.00 O ATOM 0 H ASP A 38 0.323 6.987 6.518 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.056 5.496 4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.071 6.918 2.949 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.296 7.935 4.329 1.00 0.00 H new ATOM 585 N THR A 39 2.155 5.060 5.191 1.00 0.00 N ATOM 586 CA THR A 39 3.275 4.140 5.088 1.00 0.00 C ATOM 587 C THR A 39 3.327 3.223 6.311 1.00 0.00 C ATOM 588 O THR A 39 3.738 2.068 6.209 1.00 0.00 O ATOM 589 CB THR A 39 4.548 4.965 4.892 1.00 0.00 C ATOM 590 OG1 THR A 39 5.602 4.013 5.014 1.00 0.00 O ATOM 591 CG2 THR A 39 4.795 5.943 6.043 1.00 0.00 C ATOM 0 H THR A 39 2.342 5.900 5.738 1.00 0.00 H new ATOM 0 HA THR A 39 3.165 3.477 4.230 1.00 0.00 H new ATOM 0 HB THR A 39 4.481 5.517 3.954 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.344 4.409 5.516 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.711 6.503 5.854 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.956 6.634 6.120 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.895 5.389 6.976 1.00 0.00 H new ATOM 599 N VAL A 40 2.905 3.772 7.441 1.00 0.00 N ATOM 600 CA VAL A 40 2.899 3.018 8.683 1.00 0.00 C ATOM 601 C VAL A 40 1.884 1.878 8.577 1.00 0.00 C ATOM 602 O VAL A 40 2.248 0.744 8.270 1.00 0.00 O ATOM 603 CB VAL A 40 2.626 3.954 9.862 1.00 0.00 C ATOM 604 CG1 VAL A 40 2.364 3.160 11.143 1.00 0.00 C ATOM 605 CG2 VAL A 40 3.778 4.943 10.055 1.00 0.00 C ATOM 0 H VAL A 40 2.565 4.730 7.522 1.00 0.00 H new ATOM 0 HA VAL A 40 3.876 2.568 8.862 1.00 0.00 H new ATOM 0 HB VAL A 40 1.727 4.527 9.634 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.173 3.849 11.966 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.497 2.515 11.001 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.236 2.549 11.377 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.559 5.597 10.899 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.699 4.395 10.250 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.897 5.543 9.153 1.00 0.00 H new ATOM 615 N GLU A 41 0.630 2.219 8.837 1.00 0.00 N ATOM 616 CA GLU A 41 -0.440 1.239 8.775 1.00 0.00 C ATOM 617 C GLU A 41 -0.207 0.271 7.613 1.00 0.00 C ATOM 618 O GLU A 41 -0.287 -0.944 7.787 1.00 0.00 O ATOM 619 CB GLU A 41 -1.804 1.922 8.654 1.00 0.00 C ATOM 620 CG GLU A 41 -2.512 1.977 10.009 1.00 0.00 C ATOM 621 CD GLU A 41 -3.987 2.349 9.843 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.691 1.741 9.023 1.00 0.00 O ATOM 623 OE2 GLU A 41 -4.396 3.308 10.602 1.00 0.00 O ATOM 0 H GLU A 41 0.332 3.161 9.091 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.437 0.669 9.704 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.676 2.932 8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.423 1.382 7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.431 1.010 10.505 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.019 2.707 10.651 1.00 0.00 H new ATOM 631 N LEU A 42 0.077 0.846 6.454 1.00 0.00 N ATOM 632 CA LEU A 42 0.322 0.050 5.264 1.00 0.00 C ATOM 633 C LEU A 42 1.185 -1.159 5.633 1.00 0.00 C ATOM 634 O LEU A 42 0.874 -2.287 5.254 1.00 0.00 O ATOM 635 CB LEU A 42 0.920 0.916 4.154 1.00 0.00 C ATOM 636 CG LEU A 42 1.382 0.173 2.898 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.502 1.127 1.709 1.00 0.00 C ATOM 638 CD2 LEU A 42 2.685 -0.586 3.158 1.00 0.00 C ATOM 0 H LEU A 42 0.143 1.854 6.314 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.616 -0.337 4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.178 1.659 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.771 1.460 4.564 1.00 0.00 H new ATOM 0 HG LEU A 42 0.624 -0.567 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.832 0.573 0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.532 1.582 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.228 1.907 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.991 -1.105 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.463 0.118 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.530 -1.312 3.956 1.00 0.00 H new ATOM 650 N VAL A 43 2.252 -0.882 6.369 1.00 0.00 N ATOM 651 CA VAL A 43 3.161 -1.932 6.794 1.00 0.00 C ATOM 652 C VAL A 43 2.354 -3.105 7.354 1.00 0.00 C ATOM 653 O VAL A 43 2.202 -4.131 6.692 1.00 0.00 O ATOM 654 CB VAL A 43 4.176 -1.373 7.793 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.254 -2.409 8.117 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.800 -0.076 7.274 1.00 0.00 C ATOM 0 H VAL A 43 2.507 0.055 6.682 1.00 0.00 H new ATOM 0 HA VAL A 43 3.733 -2.308 5.946 1.00 0.00 H new ATOM 0 HB VAL A 43 3.645 -1.142 8.716 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.963 -1.986 8.829 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.789 -3.295 8.550 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.779 -2.685 7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.518 0.300 8.003 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.310 -0.270 6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.018 0.667 7.118 1.00 0.00 H new ATOM 666 N MET A 44 1.857 -2.913 8.567 1.00 0.00 N ATOM 667 CA MET A 44 1.068 -3.942 9.223 1.00 0.00 C ATOM 668 C MET A 44 0.197 -4.693 8.214 1.00 0.00 C ATOM 669 O MET A 44 0.240 -5.920 8.144 1.00 0.00 O ATOM 670 CB MET A 44 0.178 -3.301 10.289 1.00 0.00 C ATOM 671 CG MET A 44 1.013 -2.782 11.462 1.00 0.00 C ATOM 672 SD MET A 44 -0.049 -2.395 12.843 1.00 0.00 S ATOM 673 CE MET A 44 1.092 -1.476 13.863 1.00 0.00 C ATOM 0 H MET A 44 1.985 -2.061 9.113 1.00 0.00 H new ATOM 0 HA MET A 44 1.750 -4.655 9.687 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.388 -2.480 9.849 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.547 -4.031 10.649 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.747 -3.532 11.756 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.568 -1.894 11.159 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.588 -1.156 14.775 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.941 -2.109 14.121 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.445 -0.601 13.317 1.00 0.00 H new ATOM 683 N ALA A 45 -0.573 -3.924 7.458 1.00 0.00 N ATOM 684 CA ALA A 45 -1.453 -4.501 6.456 1.00 0.00 C ATOM 685 C ALA A 45 -0.626 -5.343 5.482 1.00 0.00 C ATOM 686 O ALA A 45 -0.730 -6.569 5.473 1.00 0.00 O ATOM 687 CB ALA A 45 -2.225 -3.385 5.751 1.00 0.00 C ATOM 0 H ALA A 45 -0.606 -2.906 7.519 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.186 -5.160 6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.885 -3.818 4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.818 -2.835 6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.523 -2.705 5.269 1.00 0.00 H new ATOM 693 N LEU A 46 0.176 -4.652 4.685 1.00 0.00 N ATOM 694 CA LEU A 46 1.020 -5.321 3.710 1.00 0.00 C ATOM 695 C LEU A 46 1.779 -6.460 4.394 1.00 0.00 C ATOM 696 O LEU A 46 2.209 -7.407 3.737 1.00 0.00 O ATOM 697 CB LEU A 46 1.928 -4.312 3.005 1.00 0.00 C ATOM 698 CG LEU A 46 1.229 -3.301 2.095 1.00 0.00 C ATOM 699 CD1 LEU A 46 2.236 -2.587 1.192 1.00 0.00 C ATOM 700 CD2 LEU A 46 0.111 -3.968 1.291 1.00 0.00 C ATOM 0 H LEU A 46 0.259 -3.635 4.695 1.00 0.00 H new ATOM 0 HA LEU A 46 0.412 -5.770 2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.485 -3.763 3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.657 -4.863 2.410 1.00 0.00 H new ATOM 0 HG LEU A 46 0.765 -2.541 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.712 -1.874 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.965 -2.058 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.750 -3.320 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.370 -3.227 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.531 -4.762 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.626 -4.391 1.974 1.00 0.00 H new ATOM 712 N GLU A 47 1.921 -6.330 5.705 1.00 0.00 N ATOM 713 CA GLU A 47 2.621 -7.336 6.485 1.00 0.00 C ATOM 714 C GLU A 47 1.708 -8.535 6.747 1.00 0.00 C ATOM 715 O GLU A 47 2.082 -9.675 6.476 1.00 0.00 O ATOM 716 CB GLU A 47 3.142 -6.747 7.798 1.00 0.00 C ATOM 717 CG GLU A 47 4.502 -6.075 7.596 1.00 0.00 C ATOM 718 CD GLU A 47 5.607 -6.846 8.320 1.00 0.00 C ATOM 719 OE1 GLU A 47 6.222 -6.316 9.258 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.819 -8.040 7.878 1.00 0.00 O ATOM 0 H GLU A 47 1.563 -5.543 6.246 1.00 0.00 H new ATOM 0 HA GLU A 47 3.482 -7.678 5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.427 -6.020 8.184 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.229 -7.536 8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.730 -6.020 6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.465 -5.051 7.968 1.00 0.00 H new ATOM 728 N GLU A 48 0.528 -8.237 7.270 1.00 0.00 N ATOM 729 CA GLU A 48 -0.442 -9.276 7.571 1.00 0.00 C ATOM 730 C GLU A 48 -0.774 -10.074 6.308 1.00 0.00 C ATOM 731 O GLU A 48 -1.003 -11.281 6.374 1.00 0.00 O ATOM 732 CB GLU A 48 -1.707 -8.682 8.193 1.00 0.00 C ATOM 733 CG GLU A 48 -1.886 -9.161 9.635 1.00 0.00 C ATOM 734 CD GLU A 48 -2.995 -10.211 9.731 1.00 0.00 C ATOM 735 OE1 GLU A 48 -3.251 -10.932 8.756 1.00 0.00 O ATOM 736 OE2 GLU A 48 -3.599 -10.263 10.869 1.00 0.00 O ATOM 0 H GLU A 48 0.221 -7.290 7.493 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.003 -9.955 8.302 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.650 -7.594 8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.576 -8.967 7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.949 -9.582 10.001 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.127 -8.313 10.276 1.00 0.00 H new ATOM 744 N GLU A 49 -0.790 -9.367 5.187 1.00 0.00 N ATOM 745 CA GLU A 49 -1.090 -9.995 3.912 1.00 0.00 C ATOM 746 C GLU A 49 -0.190 -11.212 3.694 1.00 0.00 C ATOM 747 O GLU A 49 -0.654 -12.260 3.245 1.00 0.00 O ATOM 748 CB GLU A 49 -0.948 -8.995 2.762 1.00 0.00 C ATOM 749 CG GLU A 49 -1.875 -9.359 1.601 1.00 0.00 C ATOM 750 CD GLU A 49 -1.130 -9.302 0.266 1.00 0.00 C ATOM 751 OE1 GLU A 49 -1.400 -8.415 -0.557 1.00 0.00 O ATOM 752 OE2 GLU A 49 -0.241 -10.221 0.098 1.00 0.00 O ATOM 0 H GLU A 49 -0.600 -8.366 5.136 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.126 -10.333 3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.181 -7.991 3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.085 -8.978 2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.279 -10.360 1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.722 -8.673 1.578 1.00 0.00 H new ATOM 760 N PHE A 50 1.082 -11.035 4.021 1.00 0.00 N ATOM 761 CA PHE A 50 2.051 -12.106 3.867 1.00 0.00 C ATOM 762 C PHE A 50 3.099 -12.061 4.981 1.00 0.00 C ATOM 763 O PHE A 50 3.092 -12.901 5.879 1.00 0.00 O ATOM 764 CB PHE A 50 2.745 -11.891 2.521 1.00 0.00 C ATOM 765 CG PHE A 50 2.529 -13.028 1.521 1.00 0.00 C ATOM 766 CD1 PHE A 50 3.361 -14.104 1.523 1.00 0.00 C ATOM 767 CD2 PHE A 50 1.504 -12.964 0.628 1.00 0.00 C ATOM 768 CE1 PHE A 50 3.160 -15.159 0.595 1.00 0.00 C ATOM 769 CE2 PHE A 50 1.303 -14.019 -0.300 1.00 0.00 C ATOM 770 CZ PHE A 50 2.136 -15.095 -0.297 1.00 0.00 C ATOM 0 H PHE A 50 1.464 -10.165 4.392 1.00 0.00 H new ATOM 0 HA PHE A 50 1.549 -13.072 3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.383 -10.961 2.082 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.815 -11.769 2.691 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.175 -14.156 2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.843 -12.110 0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.821 -16.013 0.597 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.489 -13.968 -1.008 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.984 -15.898 -1.003 1.00 0.00 H new ATOM 780 N ASP A 51 3.976 -11.073 4.885 1.00 0.00 N ATOM 781 CA ASP A 51 5.029 -10.907 5.873 1.00 0.00 C ATOM 782 C ASP A 51 6.187 -10.124 5.252 1.00 0.00 C ATOM 783 O ASP A 51 7.011 -10.691 4.536 1.00 0.00 O ATOM 784 CB ASP A 51 5.568 -12.262 6.335 1.00 0.00 C ATOM 785 CG ASP A 51 5.030 -12.747 7.683 1.00 0.00 C ATOM 786 OD1 ASP A 51 4.457 -11.968 8.460 1.00 0.00 O ATOM 787 OD2 ASP A 51 5.221 -13.999 7.927 1.00 0.00 O ATOM 0 H ASP A 51 3.979 -10.379 4.138 1.00 0.00 H new ATOM 0 HA ASP A 51 4.610 -10.375 6.727 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.331 -13.008 5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.655 -12.203 6.395 1.00 0.00 H new ATOM 793 N THR A 52 6.213 -8.833 5.548 1.00 0.00 N ATOM 794 CA THR A 52 7.256 -7.967 5.028 1.00 0.00 C ATOM 795 C THR A 52 7.157 -6.575 5.656 1.00 0.00 C ATOM 796 O THR A 52 6.406 -5.726 5.178 1.00 0.00 O ATOM 797 CB THR A 52 7.143 -7.954 3.502 1.00 0.00 C ATOM 798 OG1 THR A 52 8.231 -7.136 3.080 1.00 0.00 O ATOM 799 CG2 THR A 52 5.902 -7.204 3.013 1.00 0.00 C ATOM 0 H THR A 52 5.528 -8.366 6.142 1.00 0.00 H new ATOM 0 HA THR A 52 8.246 -8.339 5.292 1.00 0.00 H new ATOM 0 HB THR A 52 7.117 -8.979 3.132 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.922 -7.697 2.669 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.870 -7.225 1.924 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.007 -7.682 3.412 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.944 -6.170 3.355 1.00 0.00 H new ATOM 807 N GLU A 53 7.925 -6.384 6.718 1.00 0.00 N ATOM 808 CA GLU A 53 7.933 -5.110 7.417 1.00 0.00 C ATOM 809 C GLU A 53 8.458 -4.004 6.499 1.00 0.00 C ATOM 810 O GLU A 53 9.593 -3.555 6.649 1.00 0.00 O ATOM 811 CB GLU A 53 8.759 -5.194 8.702 1.00 0.00 C ATOM 812 CG GLU A 53 10.241 -5.411 8.387 1.00 0.00 C ATOM 813 CD GLU A 53 10.897 -6.314 9.434 1.00 0.00 C ATOM 814 OE1 GLU A 53 10.195 -7.029 10.164 1.00 0.00 O ATOM 815 OE2 GLU A 53 12.185 -6.256 9.474 1.00 0.00 O ATOM 0 H GLU A 53 8.547 -7.090 7.112 1.00 0.00 H new ATOM 0 HA GLU A 53 6.909 -4.866 7.698 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.636 -4.277 9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.392 -6.012 9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.345 -5.859 7.399 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.755 -4.450 8.357 1.00 0.00 H new ATOM 823 N ILE A 54 7.607 -3.598 5.568 1.00 0.00 N ATOM 824 CA ILE A 54 7.971 -2.554 4.626 1.00 0.00 C ATOM 825 C ILE A 54 8.369 -1.293 5.397 1.00 0.00 C ATOM 826 O ILE A 54 7.520 -0.633 5.995 1.00 0.00 O ATOM 827 CB ILE A 54 6.844 -2.327 3.616 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.077 -1.045 2.813 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.479 -2.330 4.307 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.546 -0.912 2.408 1.00 0.00 C ATOM 0 H ILE A 54 6.666 -3.973 5.446 1.00 0.00 H new ATOM 0 HA ILE A 54 8.838 -2.856 4.039 1.00 0.00 H new ATOM 0 HB ILE A 54 6.848 -3.156 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.449 -1.051 1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.780 -0.181 3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.696 -2.167 3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.321 -3.291 4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.446 -1.534 5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.685 0.007 1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.169 -0.882 3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.833 -1.766 1.794 1.00 0.00 H new ATOM 842 N PRO A 55 9.694 -0.990 5.357 1.00 0.00 N ATOM 843 CA PRO A 55 10.214 0.180 6.044 1.00 0.00 C ATOM 844 C PRO A 55 9.862 1.462 5.288 1.00 0.00 C ATOM 845 O PRO A 55 9.782 1.462 4.061 1.00 0.00 O ATOM 846 CB PRO A 55 11.712 -0.058 6.145 1.00 0.00 C ATOM 847 CG PRO A 55 12.037 -1.120 5.108 1.00 0.00 C ATOM 848 CD PRO A 55 10.728 -1.748 4.659 1.00 0.00 C ATOM 0 HA PRO A 55 9.777 0.316 7.033 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.267 0.860 5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.988 -0.392 7.145 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.559 -0.678 4.260 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.698 -1.876 5.530 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.607 -1.680 3.578 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.687 -2.806 4.919 1.00 0.00 H new ATOM 856 N ASP A 56 9.661 2.526 6.053 1.00 0.00 N ATOM 857 CA ASP A 56 9.319 3.812 5.470 1.00 0.00 C ATOM 858 C ASP A 56 10.397 4.213 4.461 1.00 0.00 C ATOM 859 O ASP A 56 10.098 4.830 3.440 1.00 0.00 O ATOM 860 CB ASP A 56 9.247 4.901 6.543 1.00 0.00 C ATOM 861 CG ASP A 56 8.921 6.302 6.021 1.00 0.00 C ATOM 862 OD1 ASP A 56 7.986 6.487 5.228 1.00 0.00 O ATOM 863 OD2 ASP A 56 9.684 7.241 6.469 1.00 0.00 O ATOM 0 H ASP A 56 9.729 2.523 7.071 1.00 0.00 H new ATOM 0 HA ASP A 56 8.346 3.716 4.988 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.492 4.618 7.276 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.202 4.938 7.067 1.00 0.00 H new ATOM 869 N GLU A 57 11.629 3.846 4.783 1.00 0.00 N ATOM 870 CA GLU A 57 12.753 4.160 3.917 1.00 0.00 C ATOM 871 C GLU A 57 12.496 3.637 2.503 1.00 0.00 C ATOM 872 O GLU A 57 12.895 4.264 1.523 1.00 0.00 O ATOM 873 CB GLU A 57 14.056 3.592 4.483 1.00 0.00 C ATOM 874 CG GLU A 57 15.260 4.062 3.664 1.00 0.00 C ATOM 875 CD GLU A 57 15.606 5.518 3.983 1.00 0.00 C ATOM 876 OE1 GLU A 57 14.710 6.311 4.309 1.00 0.00 O ATOM 877 OE2 GLU A 57 16.857 5.816 3.884 1.00 0.00 O ATOM 0 H GLU A 57 11.873 3.335 5.631 1.00 0.00 H new ATOM 0 HA GLU A 57 12.858 5.244 3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.173 3.905 5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.013 2.503 4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.119 3.426 3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.043 3.961 2.601 1.00 0.00 H new ATOM 885 N GLU A 58 11.830 2.493 2.441 1.00 0.00 N ATOM 886 CA GLU A 58 11.515 1.878 1.163 1.00 0.00 C ATOM 887 C GLU A 58 10.052 2.134 0.797 1.00 0.00 C ATOM 888 O GLU A 58 9.631 1.859 -0.326 1.00 0.00 O ATOM 889 CB GLU A 58 11.821 0.379 1.185 1.00 0.00 C ATOM 890 CG GLU A 58 12.775 -0.002 0.051 1.00 0.00 C ATOM 891 CD GLU A 58 12.641 -1.485 -0.303 1.00 0.00 C ATOM 892 OE1 GLU A 58 11.897 -1.836 -1.230 1.00 0.00 O ATOM 893 OE2 GLU A 58 13.346 -2.285 0.424 1.00 0.00 O ATOM 0 H GLU A 58 11.500 1.976 3.256 1.00 0.00 H new ATOM 0 HA GLU A 58 12.145 2.332 0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.263 0.108 2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.894 -0.187 1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.562 0.606 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.802 0.214 0.347 1.00 0.00 H new ATOM 901 N ALA A 59 9.315 2.656 1.767 1.00 0.00 N ATOM 902 CA ALA A 59 7.908 2.952 1.561 1.00 0.00 C ATOM 903 C ALA A 59 7.722 4.465 1.436 1.00 0.00 C ATOM 904 O ALA A 59 6.598 4.963 1.487 1.00 0.00 O ATOM 905 CB ALA A 59 7.088 2.357 2.708 1.00 0.00 C ATOM 0 H ALA A 59 9.666 2.881 2.698 1.00 0.00 H new ATOM 0 HA ALA A 59 7.552 2.499 0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.032 2.579 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.231 1.277 2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.416 2.791 3.653 1.00 0.00 H new ATOM 911 N GLU A 60 8.841 5.156 1.274 1.00 0.00 N ATOM 912 CA GLU A 60 8.816 6.602 1.140 1.00 0.00 C ATOM 913 C GLU A 60 9.031 7.004 -0.320 1.00 0.00 C ATOM 914 O GLU A 60 8.703 8.123 -0.714 1.00 0.00 O ATOM 915 CB GLU A 60 9.860 7.255 2.048 1.00 0.00 C ATOM 916 CG GLU A 60 9.815 8.779 1.928 1.00 0.00 C ATOM 917 CD GLU A 60 8.504 9.335 2.488 1.00 0.00 C ATOM 918 OE1 GLU A 60 7.632 9.761 1.717 1.00 0.00 O ATOM 919 OE2 GLU A 60 8.409 9.315 3.774 1.00 0.00 O ATOM 0 H GLU A 60 9.772 4.740 1.233 1.00 0.00 H new ATOM 0 HA GLU A 60 7.835 6.959 1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.681 6.963 3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.854 6.895 1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.658 9.215 2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.920 9.068 0.882 1.00 0.00 H new ATOM 927 N LYS A 61 9.580 6.071 -1.083 1.00 0.00 N ATOM 928 CA LYS A 61 9.842 6.314 -2.491 1.00 0.00 C ATOM 929 C LYS A 61 8.670 5.789 -3.323 1.00 0.00 C ATOM 930 O LYS A 61 8.730 5.779 -4.551 1.00 0.00 O ATOM 931 CB LYS A 61 11.195 5.723 -2.894 1.00 0.00 C ATOM 932 CG LYS A 61 12.318 6.745 -2.705 1.00 0.00 C ATOM 933 CD LYS A 61 13.584 6.312 -3.445 1.00 0.00 C ATOM 934 CE LYS A 61 14.698 7.348 -3.280 1.00 0.00 C ATOM 935 NZ LYS A 61 16.025 6.693 -3.312 1.00 0.00 N ATOM 0 H LYS A 61 9.851 5.145 -0.753 1.00 0.00 H new ATOM 0 HA LYS A 61 9.916 7.384 -2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.401 4.836 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.161 5.404 -3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.994 7.719 -3.071 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.535 6.860 -1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.920 5.348 -3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.362 6.177 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.633 8.090 -4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.571 7.880 -2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.769 7.411 -3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 16.090 6.002 -2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.150 6.206 -4.222 1.00 0.00 H new ATOM 948 N ILE A 62 7.630 5.365 -2.619 1.00 0.00 N ATOM 949 CA ILE A 62 6.446 4.839 -3.276 1.00 0.00 C ATOM 950 C ILE A 62 5.440 5.973 -3.488 1.00 0.00 C ATOM 951 O ILE A 62 5.027 6.238 -4.616 1.00 0.00 O ATOM 952 CB ILE A 62 5.880 3.653 -2.493 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.324 4.105 -1.141 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.925 2.546 -2.342 1.00 0.00 C ATOM 955 CD1 ILE A 62 4.983 2.902 -0.259 1.00 0.00 C ATOM 0 H ILE A 62 7.583 5.375 -1.600 1.00 0.00 H new ATOM 0 HA ILE A 62 6.699 4.448 -4.261 1.00 0.00 H new ATOM 0 HB ILE A 62 5.048 3.235 -3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.055 4.736 -0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.432 4.712 -1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.496 1.715 -1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.232 2.198 -3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.792 2.935 -1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.590 3.251 0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.234 2.287 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.882 2.310 -0.087 1.00 0.00 H new ATOM 967 N THR A 63 5.076 6.611 -2.386 1.00 0.00 N ATOM 968 CA THR A 63 4.126 7.710 -2.437 1.00 0.00 C ATOM 969 C THR A 63 2.922 7.335 -3.304 1.00 0.00 C ATOM 970 O THR A 63 2.222 8.209 -3.812 1.00 0.00 O ATOM 971 CB THR A 63 4.868 8.953 -2.933 1.00 0.00 C ATOM 972 OG1 THR A 63 4.993 8.746 -4.337 1.00 0.00 O ATOM 973 CG2 THR A 63 6.313 9.010 -2.434 1.00 0.00 C ATOM 0 H THR A 63 5.421 6.388 -1.452 1.00 0.00 H new ATOM 0 HA THR A 63 3.720 7.928 -1.449 1.00 0.00 H new ATOM 0 HB THR A 63 4.336 9.847 -2.607 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.918 7.789 -4.534 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.794 9.911 -2.815 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.321 9.027 -1.344 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.855 8.133 -2.787 1.00 0.00 H new ATOM 981 N THR A 64 2.719 6.033 -3.446 1.00 0.00 N ATOM 982 CA THR A 64 1.612 5.532 -4.242 1.00 0.00 C ATOM 983 C THR A 64 1.258 4.103 -3.824 1.00 0.00 C ATOM 984 O THR A 64 1.929 3.517 -2.975 1.00 0.00 O ATOM 985 CB THR A 64 1.996 5.655 -5.717 1.00 0.00 C ATOM 986 OG1 THR A 64 3.278 5.038 -5.795 1.00 0.00 O ATOM 987 CG2 THR A 64 2.255 7.104 -6.136 1.00 0.00 C ATOM 0 H THR A 64 3.302 5.311 -3.023 1.00 0.00 H new ATOM 0 HA THR A 64 0.709 6.119 -4.076 1.00 0.00 H new ATOM 0 HB THR A 64 1.202 5.234 -6.334 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.975 5.718 -5.687 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.524 7.135 -7.192 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.355 7.696 -5.973 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.071 7.514 -5.542 1.00 0.00 H new ATOM 995 N VAL A 65 0.206 3.584 -4.439 1.00 0.00 N ATOM 996 CA VAL A 65 -0.244 2.235 -4.141 1.00 0.00 C ATOM 997 C VAL A 65 0.524 1.241 -5.014 1.00 0.00 C ATOM 998 O VAL A 65 1.125 0.296 -4.504 1.00 0.00 O ATOM 999 CB VAL A 65 -1.761 2.138 -4.318 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.274 0.757 -3.907 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.476 3.244 -3.538 1.00 0.00 C ATOM 0 H VAL A 65 -0.348 4.073 -5.142 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.035 1.984 -3.101 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.984 2.276 -5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.355 0.715 -4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.801 -0.006 -4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.032 0.576 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.553 3.152 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.241 3.151 -2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.144 4.217 -3.899 1.00 0.00 H new ATOM 1011 N GLN A 66 0.480 1.487 -6.315 1.00 0.00 N ATOM 1012 CA GLN A 66 1.164 0.626 -7.264 1.00 0.00 C ATOM 1013 C GLN A 66 2.531 0.211 -6.714 1.00 0.00 C ATOM 1014 O GLN A 66 2.838 -0.978 -6.637 1.00 0.00 O ATOM 1015 CB GLN A 66 1.306 1.312 -8.624 1.00 0.00 C ATOM 1016 CG GLN A 66 1.925 0.365 -9.654 1.00 0.00 C ATOM 1017 CD GLN A 66 1.454 -1.074 -9.429 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.272 -1.361 -9.345 1.00 0.00 O ATOM 1019 NE2 GLN A 66 2.443 -1.959 -9.338 1.00 0.00 N ATOM 0 H GLN A 66 -0.019 2.271 -6.734 1.00 0.00 H new ATOM 0 HA GLN A 66 0.563 -0.272 -7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.328 1.644 -8.972 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.927 2.202 -8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.653 0.687 -10.659 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.012 0.410 -9.588 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.412 -1.651 -9.417 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.232 -2.946 -9.189 1.00 0.00 H new ATOM 1028 N ALA A 67 3.315 1.214 -6.347 1.00 0.00 N ATOM 1029 CA ALA A 67 4.641 0.968 -5.807 1.00 0.00 C ATOM 1030 C ALA A 67 4.558 -0.124 -4.739 1.00 0.00 C ATOM 1031 O ALA A 67 5.331 -1.080 -4.762 1.00 0.00 O ATOM 1032 CB ALA A 67 5.220 2.275 -5.261 1.00 0.00 C ATOM 0 H ALA A 67 3.057 2.199 -6.413 1.00 0.00 H new ATOM 0 HA ALA A 67 5.314 0.614 -6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.215 2.091 -4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.286 3.008 -6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.572 2.659 -4.473 1.00 0.00 H new ATOM 1038 N ALA A 68 3.612 0.054 -3.828 1.00 0.00 N ATOM 1039 CA ALA A 68 3.417 -0.905 -2.754 1.00 0.00 C ATOM 1040 C ALA A 68 3.201 -2.297 -3.352 1.00 0.00 C ATOM 1041 O ALA A 68 3.558 -3.302 -2.739 1.00 0.00 O ATOM 1042 CB ALA A 68 2.246 -0.458 -1.877 1.00 0.00 C ATOM 0 H ALA A 68 2.972 0.848 -3.812 1.00 0.00 H new ATOM 0 HA ALA A 68 4.300 -0.954 -2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.100 -1.177 -1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.462 0.523 -1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.340 -0.400 -2.481 1.00 0.00 H new ATOM 1048 N ILE A 69 2.616 -2.311 -4.540 1.00 0.00 N ATOM 1049 CA ILE A 69 2.347 -3.563 -5.227 1.00 0.00 C ATOM 1050 C ILE A 69 3.618 -4.032 -5.939 1.00 0.00 C ATOM 1051 O ILE A 69 4.087 -5.146 -5.710 1.00 0.00 O ATOM 1052 CB ILE A 69 1.141 -3.416 -6.157 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.123 -3.077 -5.364 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.958 -4.666 -7.020 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.982 -2.055 -6.112 1.00 0.00 C ATOM 0 H ILE A 69 2.321 -1.475 -5.045 1.00 0.00 H new ATOM 0 HA ILE A 69 2.076 -4.339 -4.511 1.00 0.00 H new ATOM 0 HB ILE A 69 1.331 -2.583 -6.834 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.701 -3.984 -5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.152 -2.680 -4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.094 -4.535 -7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.850 -4.823 -7.627 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.800 -5.532 -6.377 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.874 -1.832 -5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.409 -1.140 -6.264 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.275 -2.464 -7.079 1.00 0.00 H new ATOM 1067 N ASP A 70 4.140 -3.158 -6.788 1.00 0.00 N ATOM 1068 CA ASP A 70 5.347 -3.469 -7.534 1.00 0.00 C ATOM 1069 C ASP A 70 6.456 -3.867 -6.558 1.00 0.00 C ATOM 1070 O ASP A 70 7.429 -4.511 -6.948 1.00 0.00 O ATOM 1071 CB ASP A 70 5.830 -2.255 -8.330 1.00 0.00 C ATOM 1072 CG ASP A 70 7.318 -2.265 -8.685 1.00 0.00 C ATOM 1073 OD1 ASP A 70 8.077 -1.372 -8.280 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.697 -3.256 -9.419 1.00 0.00 O ATOM 0 H ASP A 70 3.749 -2.235 -6.975 1.00 0.00 H new ATOM 0 HA ASP A 70 5.119 -4.283 -8.222 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.252 -2.191 -9.252 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.615 -1.354 -7.756 1.00 0.00 H new ATOM 1080 N TYR A 71 6.273 -3.466 -5.309 1.00 0.00 N ATOM 1081 CA TYR A 71 7.247 -3.773 -4.274 1.00 0.00 C ATOM 1082 C TYR A 71 6.997 -5.161 -3.681 1.00 0.00 C ATOM 1083 O TYR A 71 7.918 -5.970 -3.577 1.00 0.00 O ATOM 1084 CB TYR A 71 7.046 -2.721 -3.182 1.00 0.00 C ATOM 1085 CG TYR A 71 7.437 -3.196 -1.781 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.761 -3.444 -1.481 1.00 0.00 C ATOM 1087 CD2 TYR A 71 6.466 -3.378 -0.818 1.00 0.00 C ATOM 1088 CE1 TYR A 71 9.129 -3.891 -0.162 1.00 0.00 C ATOM 1089 CE2 TYR A 71 6.833 -3.825 0.501 1.00 0.00 C ATOM 1090 CZ TYR A 71 8.147 -4.060 0.763 1.00 0.00 C ATOM 1091 OH TYR A 71 8.495 -4.482 2.008 1.00 0.00 O ATOM 0 H TYR A 71 5.465 -2.931 -4.990 1.00 0.00 H new ATOM 0 HA TYR A 71 8.258 -3.764 -4.682 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.632 -1.837 -3.431 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.999 -2.417 -3.173 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.521 -3.303 -2.235 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.430 -3.185 -1.053 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.162 -4.087 0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.083 -3.970 1.264 1.00 0.00 H new ATOM 0 HH TYR A 71 8.292 -5.436 2.099 1.00 0.00 H new ATOM 1101 N ILE A 72 5.748 -5.394 -3.308 1.00 0.00 N ATOM 1102 CA ILE A 72 5.366 -6.670 -2.727 1.00 0.00 C ATOM 1103 C ILE A 72 5.674 -7.791 -3.722 1.00 0.00 C ATOM 1104 O ILE A 72 5.856 -8.942 -3.329 1.00 0.00 O ATOM 1105 CB ILE A 72 3.905 -6.637 -2.273 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.730 -5.723 -1.057 1.00 0.00 C ATOM 1107 CG2 ILE A 72 3.380 -8.049 -2.009 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.319 -6.365 0.200 1.00 0.00 C ATOM 0 H ILE A 72 4.987 -4.721 -3.397 1.00 0.00 H new ATOM 0 HA ILE A 72 5.951 -6.869 -1.829 1.00 0.00 H new ATOM 0 HB ILE A 72 3.306 -6.218 -3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.218 -4.766 -1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.671 -5.516 -0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.340 -7.996 -1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.448 -8.639 -2.923 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.977 -8.519 -1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.182 -5.695 1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.813 -7.310 0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.383 -6.548 0.051 1.00 0.00 H new ATOM 1120 N ASN A 73 5.724 -7.414 -4.992 1.00 0.00 N ATOM 1121 CA ASN A 73 6.007 -8.373 -6.046 1.00 0.00 C ATOM 1122 C ASN A 73 7.518 -8.430 -6.286 1.00 0.00 C ATOM 1123 O ASN A 73 8.061 -9.488 -6.597 1.00 0.00 O ATOM 1124 CB ASN A 73 5.336 -7.964 -7.358 1.00 0.00 C ATOM 1125 CG ASN A 73 4.077 -8.795 -7.613 1.00 0.00 C ATOM 1126 OD1 ASN A 73 4.130 -9.927 -8.066 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.945 -8.174 -7.296 1.00 0.00 N ATOM 0 H ASN A 73 5.573 -6.458 -5.314 1.00 0.00 H new ATOM 0 HA ASN A 73 5.622 -9.343 -5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.077 -6.906 -7.323 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.035 -8.094 -8.184 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.050 -8.646 -7.428 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.971 -7.226 -6.921 1.00 0.00 H new ATOM 1134 N GLY A 74 8.153 -7.277 -6.131 1.00 0.00 N ATOM 1135 CA GLY A 74 9.589 -7.182 -6.326 1.00 0.00 C ATOM 1136 C GLY A 74 10.340 -7.487 -5.029 1.00 0.00 C ATOM 1137 O GLY A 74 11.503 -7.114 -4.878 1.00 0.00 O ATOM 0 H GLY A 74 7.699 -6.401 -5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.901 -7.879 -7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.847 -6.181 -6.673 1.00 0.00 H new ATOM 1141 N HIS A 75 9.646 -8.161 -4.124 1.00 0.00 N ATOM 1142 CA HIS A 75 10.233 -8.520 -2.844 1.00 0.00 C ATOM 1143 C HIS A 75 10.237 -10.042 -2.690 1.00 0.00 C ATOM 1144 O HIS A 75 11.297 -10.654 -2.565 1.00 0.00 O ATOM 1145 CB HIS A 75 9.510 -7.809 -1.698 1.00 0.00 C ATOM 1146 CG HIS A 75 9.943 -8.264 -0.324 1.00 0.00 C ATOM 1147 ND1 HIS A 75 11.064 -7.763 0.313 1.00 0.00 N ATOM 1148 CD2 HIS A 75 9.393 -9.178 0.526 1.00 0.00 C ATOM 1149 CE1 HIS A 75 11.175 -8.355 1.493 1.00 0.00 C ATOM 1150 NE2 HIS A 75 10.139 -9.232 1.623 1.00 0.00 N ATOM 0 H HIS A 75 8.682 -8.468 -4.252 1.00 0.00 H new ATOM 0 HA HIS A 75 11.269 -8.184 -2.807 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.680 -6.736 -1.785 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.437 -7.971 -1.802 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.502 -9.759 0.339 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.950 -8.175 2.223 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.966 -9.831 2.430 1.00 0.00 H new ATOM 1158 N GLN A 76 9.040 -10.609 -2.705 1.00 0.00 N ATOM 1159 CA GLN A 76 8.892 -12.048 -2.568 1.00 0.00 C ATOM 1160 C GLN A 76 9.958 -12.772 -3.394 1.00 0.00 C ATOM 1161 O GLN A 76 10.161 -12.456 -4.565 1.00 0.00 O ATOM 1162 CB GLN A 76 7.487 -12.496 -2.973 1.00 0.00 C ATOM 1163 CG GLN A 76 6.718 -13.046 -1.770 1.00 0.00 C ATOM 1164 CD GLN A 76 6.001 -11.922 -1.017 1.00 0.00 C ATOM 1165 OE1 GLN A 76 4.951 -11.446 -1.414 1.00 0.00 O ATOM 1166 NE2 GLN A 76 6.627 -11.527 0.088 1.00 0.00 N ATOM 0 H GLN A 76 8.163 -10.098 -2.810 1.00 0.00 H new ATOM 0 HA GLN A 76 9.033 -12.310 -1.519 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.943 -11.655 -3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.554 -13.261 -3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.991 -13.785 -2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.406 -13.558 -1.097 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.504 -11.969 0.363 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.230 -10.782 0.661 1.00 0.00 H new ATOM 1175 N ALA A 77 10.610 -13.730 -2.751 1.00 0.00 N ATOM 1176 CA ALA A 77 11.649 -14.501 -3.411 1.00 0.00 C ATOM 1177 C ALA A 77 11.366 -15.993 -3.227 1.00 0.00 C ATOM 1178 O ALA A 77 11.704 -16.804 -4.088 1.00 0.00 O ATOM 1179 CB ALA A 77 13.016 -14.094 -2.858 1.00 0.00 C ATOM 0 H ALA A 77 10.438 -13.989 -1.780 1.00 0.00 H new ATOM 0 HA ALA A 77 11.657 -14.297 -4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.796 -14.673 -3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.181 -13.032 -3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.047 -14.287 -1.786 1.00 0.00 H new TER 1185 ALA A 77