USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 714 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 58 GLN : amide:sc= -0.826 K(o=-0.9,f=-3.1!) USER MOD Set 1.2: A 61 GLN : amide:sc= -0.0743 K(o=-0.9,f=-1.7) USER MOD Single : A 1 LYS N :NH3+ -157:sc= 0.0164 (180deg=-0.0344) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -175:sc= 0.823 (180deg=0.805) USER MOD Single : A 6 ASN : amide:sc= -0.0288 K(o=-0.029,f=-1.7!) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.712 F(o=-2.7!,f=-0.71) USER MOD Single : A 12 SER OG : rot 180:sc= -0.753 USER MOD Single : A 14 SER OG : rot 42:sc= 0.0037 USER MOD Single : A 17 HIS : no HE2:sc= -17.5! C(o=-18!,f=-21!) USER MOD Single : A 18 GLN : amide:sc= -1.41 K(o=-1.4,f=-6.8!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= -1.87! USER MOD Single : A 33 ASN : amide:sc= -1.93 X(o=-1.9,f=-1.6!) USER MOD Single : A 40 CYS SG : rot 42:sc= -0.341 USER MOD Single : A 42 THR OG1 : rot -129:sc= 0.777 USER MOD Single : A 47 TYR OH : rot -60:sc= -3.06! USER MOD Single : A 55 GLN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 59 SER OG : rot -70:sc= 0.602 USER MOD Single : A 60 LYS NZ :NH3+ -145:sc= -0.236 (180deg=-1.12) USER MOD Single : A 63 THR OG1 : rot -75:sc= -0.463! USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0993 X(o=-0.099,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -127:sc= -1.17 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -170:sc= -0.0255 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.970 3.627 8.653 1.00 0.00 N ATOM 2 CA LYS A 1 -6.908 3.509 9.692 1.00 0.00 C ATOM 3 C LYS A 1 -5.635 4.200 9.204 1.00 0.00 C ATOM 4 O LYS A 1 -5.643 4.937 8.235 1.00 0.00 O ATOM 5 CB LYS A 1 -6.616 2.031 9.960 1.00 0.00 C ATOM 6 CG LYS A 1 -6.578 1.784 11.470 1.00 0.00 C ATOM 7 CD LYS A 1 -7.989 1.914 12.046 1.00 0.00 C ATOM 8 CE LYS A 1 -7.968 2.868 13.242 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.364 2.128 14.474 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.904 3.525 9.098 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.905 4.558 8.194 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.843 2.881 7.940 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.248 3.984 10.612 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.382 1.408 9.498 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.663 1.750 9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.180 0.790 11.676 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.911 2.501 11.949 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.672 2.287 11.282 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.359 0.936 12.354 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.972 3.293 13.364 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.651 3.700 13.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.350 2.776 15.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.323 1.743 14.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.696 1.349 14.641 1.00 0.00 H new ATOM 25 N LYS A 2 -4.540 3.972 9.871 1.00 0.00 N ATOM 26 CA LYS A 2 -3.267 4.618 9.449 1.00 0.00 C ATOM 27 C LYS A 2 -2.358 3.594 8.774 1.00 0.00 C ATOM 28 O LYS A 2 -2.245 2.462 9.201 1.00 0.00 O ATOM 29 CB LYS A 2 -2.544 5.185 10.668 1.00 0.00 C ATOM 30 CG LYS A 2 -2.472 6.709 10.564 1.00 0.00 C ATOM 31 CD LYS A 2 -1.198 7.205 11.252 1.00 0.00 C ATOM 32 CE LYS A 2 -0.004 7.032 10.310 1.00 0.00 C ATOM 33 NZ LYS A 2 1.227 7.556 10.967 1.00 0.00 N ATOM 0 H LYS A 2 -4.471 3.367 10.689 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.501 5.420 8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.068 4.898 11.580 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.539 4.768 10.733 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.476 7.014 9.518 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.349 7.158 11.030 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.307 8.254 11.528 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.030 6.648 12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.125 5.979 10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.185 7.563 9.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.022 7.517 10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.071 8.541 11.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.449 6.976 11.801 1.00 0.00 H new ATOM 47 N ALA A 3 -1.699 3.997 7.729 1.00 0.00 N ATOM 48 CA ALA A 3 -0.775 3.073 7.015 1.00 0.00 C ATOM 49 C ALA A 3 0.631 3.677 6.997 1.00 0.00 C ATOM 50 O ALA A 3 0.810 4.865 7.180 1.00 0.00 O ATOM 51 CB ALA A 3 -1.261 2.867 5.579 1.00 0.00 C ATOM 0 H ALA A 3 -1.760 4.935 7.333 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.754 2.112 7.529 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.583 2.190 5.059 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.263 2.438 5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.284 3.826 5.062 1.00 0.00 H new ATOM 57 N VAL A 4 1.631 2.867 6.782 1.00 0.00 N ATOM 58 CA VAL A 4 3.027 3.388 6.756 1.00 0.00 C ATOM 59 C VAL A 4 3.904 2.440 5.939 1.00 0.00 C ATOM 60 O VAL A 4 4.051 1.279 6.267 1.00 0.00 O ATOM 61 CB VAL A 4 3.566 3.466 8.185 1.00 0.00 C ATOM 62 CG1 VAL A 4 5.018 3.953 8.160 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.710 4.442 8.998 1.00 0.00 C ATOM 0 H VAL A 4 1.541 1.864 6.623 1.00 0.00 H new ATOM 0 HA VAL A 4 3.038 4.380 6.305 1.00 0.00 H new ATOM 0 HB VAL A 4 3.526 2.478 8.644 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.401 4.008 9.179 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.625 3.257 7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.063 4.941 7.702 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.092 4.499 10.017 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.750 5.430 8.539 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.678 4.092 9.017 1.00 0.00 H new ATOM 73 N ILE A 5 4.490 2.919 4.877 1.00 0.00 N ATOM 74 CA ILE A 5 5.354 2.033 4.049 1.00 0.00 C ATOM 75 C ILE A 5 6.824 2.347 4.321 1.00 0.00 C ATOM 76 O ILE A 5 7.393 3.258 3.756 1.00 0.00 O ATOM 77 CB ILE A 5 5.048 2.251 2.571 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.515 2.251 2.385 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.717 1.136 1.756 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.075 1.237 1.320 1.00 0.00 C ATOM 0 H ILE A 5 4.409 3.881 4.548 1.00 0.00 H new ATOM 0 HA ILE A 5 5.154 0.993 4.308 1.00 0.00 H new ATOM 0 HB ILE A 5 5.439 3.207 2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.033 2.015 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.183 3.249 2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.505 1.282 0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.795 1.164 1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.328 0.169 2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.990 1.265 1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.537 1.488 0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.385 0.236 1.621 1.00 0.00 H new ATOM 92 N ASN A 6 7.440 1.594 5.185 1.00 0.00 N ATOM 93 CA ASN A 6 8.869 1.836 5.503 1.00 0.00 C ATOM 94 C ASN A 6 9.746 1.150 4.451 1.00 0.00 C ATOM 95 O ASN A 6 9.808 -0.060 4.374 1.00 0.00 O ATOM 96 CB ASN A 6 9.167 1.259 6.885 1.00 0.00 C ATOM 97 CG ASN A 6 8.425 2.072 7.948 1.00 0.00 C ATOM 98 OD1 ASN A 6 8.164 3.244 7.760 1.00 0.00 O ATOM 99 ND2 ASN A 6 8.073 1.496 9.064 1.00 0.00 N ATOM 0 H ASN A 6 7.011 0.817 5.687 1.00 0.00 H new ATOM 0 HA ASN A 6 9.080 2.905 5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.858 0.215 6.929 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.240 1.282 7.077 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.579 2.029 9.779 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.292 0.512 9.221 1.00 0.00 H new ATOM 106 N GLY A 7 10.417 1.917 3.635 1.00 0.00 N ATOM 107 CA GLY A 7 11.281 1.311 2.580 1.00 0.00 C ATOM 108 C GLY A 7 12.432 0.532 3.223 1.00 0.00 C ATOM 109 O GLY A 7 12.638 -0.632 2.943 1.00 0.00 O ATOM 0 H GLY A 7 10.405 2.937 3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.688 0.646 1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.678 2.092 1.932 1.00 0.00 H new ATOM 113 N GLU A 8 13.189 1.166 4.075 1.00 0.00 N ATOM 114 CA GLU A 8 14.333 0.464 4.727 1.00 0.00 C ATOM 115 C GLU A 8 13.877 -0.894 5.266 1.00 0.00 C ATOM 116 O GLU A 8 14.674 -1.788 5.470 1.00 0.00 O ATOM 117 CB GLU A 8 14.862 1.317 5.882 1.00 0.00 C ATOM 118 CG GLU A 8 13.781 1.446 6.959 1.00 0.00 C ATOM 119 CD GLU A 8 13.464 2.924 7.203 1.00 0.00 C ATOM 120 OE1 GLU A 8 14.102 3.759 6.583 1.00 0.00 O ATOM 121 OE2 GLU A 8 12.587 3.195 8.006 1.00 0.00 O ATOM 0 H GLU A 8 13.066 2.141 4.349 1.00 0.00 H new ATOM 0 HA GLU A 8 15.122 0.310 3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.758 0.861 6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.147 2.304 5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.880 0.918 6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.119 0.980 7.884 1.00 0.00 H new ATOM 128 N GLN A 9 12.605 -1.058 5.507 1.00 0.00 N ATOM 129 CA GLN A 9 12.112 -2.359 6.040 1.00 0.00 C ATOM 130 C GLN A 9 11.757 -3.297 4.886 1.00 0.00 C ATOM 131 O GLN A 9 12.037 -4.479 4.925 1.00 0.00 O ATOM 132 CB GLN A 9 10.867 -2.116 6.894 1.00 0.00 C ATOM 133 CG GLN A 9 11.242 -1.268 8.111 1.00 0.00 C ATOM 134 CD GLN A 9 12.279 -2.010 8.960 1.00 0.00 C ATOM 135 OE1 GLN A 9 12.425 -3.301 8.820 1.00 0.00 O flip ATOM 136 NE2 GLN A 9 12.965 -1.408 9.761 1.00 0.00 N flip ATOM 0 H GLN A 9 11.887 -0.349 5.358 1.00 0.00 H new ATOM 0 HA GLN A 9 12.894 -2.817 6.646 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.102 -1.609 6.306 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.443 -3.067 7.216 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.643 -0.308 7.787 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.354 -1.058 8.707 1.00 0.00 H new ATOM 0 HE21 GLN A 9 12.853 -0.400 9.872 1.00 0.00 H new ATOM 0 HE22 GLN A 9 13.653 -1.910 10.322 1.00 0.00 H new ATOM 145 N ILE A 10 11.130 -2.785 3.867 1.00 0.00 N ATOM 146 CA ILE A 10 10.742 -3.649 2.723 1.00 0.00 C ATOM 147 C ILE A 10 11.968 -4.346 2.142 1.00 0.00 C ATOM 148 O ILE A 10 12.984 -3.735 1.878 1.00 0.00 O ATOM 149 CB ILE A 10 10.078 -2.808 1.637 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.715 -2.337 2.136 1.00 0.00 C ATOM 151 CG2 ILE A 10 9.890 -3.660 0.379 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.828 -3.550 2.398 1.00 0.00 C ATOM 0 H ILE A 10 10.869 -1.803 3.777 1.00 0.00 H new ATOM 0 HA ILE A 10 10.040 -4.402 3.082 1.00 0.00 H new ATOM 0 HB ILE A 10 10.704 -1.947 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.831 -1.753 3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.250 -1.685 1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.416 -3.061 -0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.861 -4.008 0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.259 -4.518 0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.853 -3.218 2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.703 -4.116 1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.293 -4.185 3.152 1.00 0.00 H new ATOM 164 N ARG A 11 11.869 -5.627 1.938 1.00 0.00 N ATOM 165 CA ARG A 11 13.001 -6.390 1.372 1.00 0.00 C ATOM 166 C ARG A 11 12.526 -7.146 0.127 1.00 0.00 C ATOM 167 O ARG A 11 13.288 -7.834 -0.522 1.00 0.00 O ATOM 168 CB ARG A 11 13.485 -7.384 2.420 1.00 0.00 C ATOM 169 CG ARG A 11 14.154 -6.630 3.572 1.00 0.00 C ATOM 170 CD ARG A 11 15.661 -6.543 3.326 1.00 0.00 C ATOM 171 NE ARG A 11 16.385 -7.010 4.544 1.00 0.00 N ATOM 172 CZ ARG A 11 17.662 -7.276 4.489 1.00 0.00 C ATOM 173 NH1 ARG A 11 18.185 -7.765 3.398 1.00 0.00 N ATOM 174 NH2 ARG A 11 18.417 -7.053 5.530 1.00 0.00 N ATOM 0 H ARG A 11 11.038 -6.182 2.144 1.00 0.00 H new ATOM 0 HA ARG A 11 13.812 -5.716 1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.646 -7.971 2.794 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.190 -8.085 1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.732 -5.629 3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.959 -7.140 4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.937 -7.155 2.467 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.945 -5.517 3.091 1.00 0.00 H new ATOM 0 HE ARG A 11 15.880 -7.122 5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.596 -7.941 2.584 1.00 0.00 H new ATOM 0 HH12 ARG A 11 19.183 -7.971 3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.009 -6.672 6.384 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.415 -7.260 5.490 1.00 0.00 H new ATOM 188 N SER A 12 11.266 -7.026 -0.209 1.00 0.00 N ATOM 189 CA SER A 12 10.739 -7.739 -1.407 1.00 0.00 C ATOM 190 C SER A 12 9.279 -7.337 -1.645 1.00 0.00 C ATOM 191 O SER A 12 8.616 -6.811 -0.769 1.00 0.00 O ATOM 192 CB SER A 12 10.820 -9.248 -1.176 1.00 0.00 C ATOM 193 OG SER A 12 11.206 -9.497 0.169 1.00 0.00 O ATOM 0 H SER A 12 10.581 -6.464 0.296 1.00 0.00 H new ATOM 0 HA SER A 12 11.335 -7.470 -2.279 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.855 -9.711 -1.381 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.540 -9.694 -1.862 1.00 0.00 H new ATOM 0 HG SER A 12 11.257 -10.464 0.321 1.00 0.00 H new ATOM 199 N ILE A 13 8.773 -7.580 -2.824 1.00 0.00 N ATOM 200 CA ILE A 13 7.359 -7.214 -3.117 1.00 0.00 C ATOM 201 C ILE A 13 6.457 -7.772 -2.015 1.00 0.00 C ATOM 202 O ILE A 13 5.619 -7.076 -1.473 1.00 0.00 O ATOM 203 CB ILE A 13 6.947 -7.806 -4.465 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.554 -7.302 -4.844 1.00 0.00 C ATOM 205 CG2 ILE A 13 6.920 -9.329 -4.359 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.477 -5.789 -4.626 1.00 0.00 C ATOM 0 H ILE A 13 9.278 -8.016 -3.596 1.00 0.00 H new ATOM 0 HA ILE A 13 7.261 -6.129 -3.156 1.00 0.00 H new ATOM 0 HB ILE A 13 7.663 -7.501 -5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.341 -7.540 -5.886 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.798 -7.805 -4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.627 -9.755 -5.318 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.911 -9.693 -4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.203 -9.628 -3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.483 -5.432 -4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.671 -5.562 -3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.222 -5.293 -5.248 1.00 0.00 H new ATOM 218 N SER A 14 6.632 -9.019 -1.665 1.00 0.00 N ATOM 219 CA SER A 14 5.796 -9.605 -0.586 1.00 0.00 C ATOM 220 C SER A 14 5.917 -8.708 0.638 1.00 0.00 C ATOM 221 O SER A 14 4.955 -8.423 1.318 1.00 0.00 O ATOM 222 CB SER A 14 6.308 -11.001 -0.248 1.00 0.00 C ATOM 223 OG SER A 14 5.349 -11.674 0.556 1.00 0.00 O ATOM 0 H SER A 14 7.316 -9.652 -2.080 1.00 0.00 H new ATOM 0 HA SER A 14 4.756 -9.678 -0.904 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.491 -11.564 -1.163 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.259 -10.933 0.281 1.00 0.00 H new ATOM 0 HG SER A 14 4.450 -11.503 0.205 1.00 0.00 H new ATOM 229 N ASP A 15 7.107 -8.252 0.907 1.00 0.00 N ATOM 230 CA ASP A 15 7.328 -7.356 2.066 1.00 0.00 C ATOM 231 C ASP A 15 6.443 -6.123 1.923 1.00 0.00 C ATOM 232 O ASP A 15 5.853 -5.649 2.872 1.00 0.00 O ATOM 233 CB ASP A 15 8.787 -6.908 2.081 1.00 0.00 C ATOM 234 CG ASP A 15 9.446 -7.339 3.392 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.279 -8.488 3.766 1.00 0.00 O ATOM 236 OD2 ASP A 15 10.107 -6.513 4.000 1.00 0.00 O ATOM 0 H ASP A 15 7.944 -8.467 0.365 1.00 0.00 H new ATOM 0 HA ASP A 15 7.087 -7.885 2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.320 -7.343 1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.846 -5.825 1.972 1.00 0.00 H new ATOM 241 N LEU A 16 6.358 -5.595 0.735 1.00 0.00 N ATOM 242 CA LEU A 16 5.524 -4.383 0.510 1.00 0.00 C ATOM 243 C LEU A 16 4.076 -4.707 0.846 1.00 0.00 C ATOM 244 O LEU A 16 3.469 -4.103 1.710 1.00 0.00 O ATOM 245 CB LEU A 16 5.627 -3.973 -0.960 1.00 0.00 C ATOM 246 CG LEU A 16 4.925 -2.630 -1.192 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.168 -1.688 -0.008 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.486 -1.990 -2.460 1.00 0.00 C ATOM 0 H LEU A 16 6.833 -5.953 -0.094 1.00 0.00 H new ATOM 0 HA LEU A 16 5.872 -3.567 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.675 -3.897 -1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.176 -4.740 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 16 3.853 -2.802 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.663 -0.739 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.776 -2.140 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.238 -1.514 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.993 -1.034 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.558 -1.830 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.309 -2.649 -3.310 1.00 0.00 H new ATOM 260 N HIS A 17 3.528 -5.667 0.172 1.00 0.00 N ATOM 261 CA HIS A 17 2.128 -6.064 0.436 1.00 0.00 C ATOM 262 C HIS A 17 2.018 -6.537 1.886 1.00 0.00 C ATOM 263 O HIS A 17 0.946 -6.608 2.455 1.00 0.00 O ATOM 264 CB HIS A 17 1.764 -7.190 -0.527 1.00 0.00 C ATOM 265 CG HIS A 17 2.171 -6.784 -1.917 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.817 -5.556 -2.457 1.00 0.00 N ATOM 267 CD2 HIS A 17 2.911 -7.419 -2.884 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.339 -5.491 -3.695 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.014 -6.600 -4.006 1.00 0.00 N ATOM 0 H HIS A 17 3.996 -6.201 -0.560 1.00 0.00 H new ATOM 0 HA HIS A 17 1.445 -5.228 0.287 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.269 -8.112 -0.239 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.693 -7.388 -0.489 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.262 -4.834 -1.998 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.346 -8.403 -2.789 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.226 -4.645 -4.357 1.00 0.00 H new ATOM 277 N GLN A 18 3.132 -6.846 2.490 1.00 0.00 N ATOM 278 CA GLN A 18 3.119 -7.300 3.898 1.00 0.00 C ATOM 279 C GLN A 18 2.790 -6.113 4.797 1.00 0.00 C ATOM 280 O GLN A 18 1.847 -6.142 5.560 1.00 0.00 O ATOM 281 CB GLN A 18 4.494 -7.856 4.269 1.00 0.00 C ATOM 282 CG GLN A 18 4.353 -9.310 4.722 1.00 0.00 C ATOM 283 CD GLN A 18 3.621 -9.359 6.064 1.00 0.00 C ATOM 284 OE1 GLN A 18 2.675 -8.628 6.280 1.00 0.00 O ATOM 285 NE2 GLN A 18 4.022 -10.195 6.983 1.00 0.00 N ATOM 0 H GLN A 18 4.056 -6.801 2.060 1.00 0.00 H new ATOM 0 HA GLN A 18 2.370 -8.081 4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.166 -7.795 3.413 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.937 -7.258 5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.803 -9.883 3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.337 -9.770 4.816 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.816 -10.809 6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.541 -10.234 7.882 1.00 0.00 H new ATOM 294 N THR A 19 3.563 -5.063 4.712 1.00 0.00 N ATOM 295 CA THR A 19 3.292 -3.878 5.557 1.00 0.00 C ATOM 296 C THR A 19 1.902 -3.343 5.201 1.00 0.00 C ATOM 297 O THR A 19 1.124 -2.990 6.060 1.00 0.00 O ATOM 298 CB THR A 19 4.387 -2.812 5.319 1.00 0.00 C ATOM 299 OG1 THR A 19 5.076 -2.579 6.538 1.00 0.00 O ATOM 300 CG2 THR A 19 3.782 -1.487 4.837 1.00 0.00 C ATOM 0 H THR A 19 4.369 -4.981 4.092 1.00 0.00 H new ATOM 0 HA THR A 19 3.310 -4.141 6.615 1.00 0.00 H new ATOM 0 HB THR A 19 5.065 -3.184 4.551 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.774 -1.905 6.396 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.578 -0.760 4.679 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.249 -1.650 3.901 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.089 -1.109 5.588 1.00 0.00 H new ATOM 308 N LEU A 20 1.584 -3.293 3.937 1.00 0.00 N ATOM 309 CA LEU A 20 0.252 -2.800 3.525 1.00 0.00 C ATOM 310 C LEU A 20 -0.811 -3.693 4.162 1.00 0.00 C ATOM 311 O LEU A 20 -1.861 -3.252 4.560 1.00 0.00 O ATOM 312 CB LEU A 20 0.137 -2.880 2.004 1.00 0.00 C ATOM 313 CG LEU A 20 1.016 -1.807 1.352 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.825 -1.852 -0.163 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.621 -0.419 1.874 1.00 0.00 C ATOM 0 H LEU A 20 2.197 -3.575 3.172 1.00 0.00 H new ATOM 0 HA LEU A 20 0.114 -1.767 3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.441 -3.869 1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.901 -2.743 1.702 1.00 0.00 H new ATOM 0 HG LEU A 20 2.060 -1.998 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.448 -1.090 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.111 -2.835 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.221 -1.663 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.250 0.338 1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.424 -0.223 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.756 -0.385 2.955 1.00 0.00 H new ATOM 327 N LYS A 21 -0.527 -4.955 4.251 1.00 0.00 N ATOM 328 CA LYS A 21 -1.490 -5.921 4.854 1.00 0.00 C ATOM 329 C LYS A 21 -1.656 -5.633 6.347 1.00 0.00 C ATOM 330 O LYS A 21 -2.747 -5.664 6.874 1.00 0.00 O ATOM 331 CB LYS A 21 -0.957 -7.342 4.675 1.00 0.00 C ATOM 332 CG LYS A 21 -1.939 -8.339 5.291 1.00 0.00 C ATOM 333 CD LYS A 21 -1.214 -9.193 6.333 1.00 0.00 C ATOM 334 CE LYS A 21 -0.313 -10.206 5.625 1.00 0.00 C ATOM 335 NZ LYS A 21 -1.081 -11.456 5.362 1.00 0.00 N ATOM 0 H LYS A 21 0.346 -5.371 3.927 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.455 -5.819 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.819 -7.559 3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.020 -7.437 5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.770 -7.808 5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.362 -8.976 4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.619 -8.558 6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.938 -9.711 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.055 -9.789 4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.559 -10.425 6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.469 -12.145 4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.411 -11.857 6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.900 -11.240 4.758 1.00 0.00 H new ATOM 349 N LYS A 22 -0.586 -5.355 7.035 1.00 0.00 N ATOM 350 CA LYS A 22 -0.693 -5.066 8.485 1.00 0.00 C ATOM 351 C LYS A 22 -1.514 -3.797 8.663 1.00 0.00 C ATOM 352 O LYS A 22 -2.550 -3.783 9.298 1.00 0.00 O ATOM 353 CB LYS A 22 0.705 -4.839 9.056 1.00 0.00 C ATOM 354 CG LYS A 22 1.402 -6.185 9.259 1.00 0.00 C ATOM 355 CD LYS A 22 1.260 -6.620 10.719 1.00 0.00 C ATOM 356 CE LYS A 22 -0.036 -7.413 10.892 1.00 0.00 C ATOM 357 NZ LYS A 22 0.093 -8.327 12.062 1.00 0.00 N ATOM 0 H LYS A 22 0.359 -5.316 6.653 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.168 -5.900 9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.288 -4.215 8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.639 -4.306 10.004 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.964 -6.936 8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.456 -6.104 8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.114 -7.230 11.012 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.254 -5.746 11.371 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.874 -6.732 11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.247 -7.987 9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.788 -8.866 12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.883 -8.985 11.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.275 -7.769 12.920 1.00 0.00 H new ATOM 371 N GLU A 23 -1.046 -2.736 8.084 1.00 0.00 N ATOM 372 CA GLU A 23 -1.752 -1.442 8.168 1.00 0.00 C ATOM 373 C GLU A 23 -3.190 -1.624 7.688 1.00 0.00 C ATOM 374 O GLU A 23 -4.133 -1.566 8.452 1.00 0.00 O ATOM 375 CB GLU A 23 -1.026 -0.464 7.251 1.00 0.00 C ATOM 376 CG GLU A 23 0.400 -0.258 7.767 1.00 0.00 C ATOM 377 CD GLU A 23 0.382 0.687 8.970 1.00 0.00 C ATOM 378 OE1 GLU A 23 -0.118 0.285 10.007 1.00 0.00 O ATOM 379 OE2 GLU A 23 0.869 1.797 8.833 1.00 0.00 O ATOM 0 H GLU A 23 -0.182 -2.713 7.543 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.765 -1.069 9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.005 -0.849 6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.556 0.488 7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.836 -1.216 8.051 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.027 0.156 6.977 1.00 0.00 H new ATOM 386 N LEU A 24 -3.346 -1.856 6.420 1.00 0.00 N ATOM 387 CA LEU A 24 -4.694 -2.063 5.837 1.00 0.00 C ATOM 388 C LEU A 24 -5.390 -3.221 6.553 1.00 0.00 C ATOM 389 O LEU A 24 -6.585 -3.406 6.436 1.00 0.00 O ATOM 390 CB LEU A 24 -4.531 -2.418 4.360 1.00 0.00 C ATOM 391 CG LEU A 24 -3.878 -1.254 3.618 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.811 -1.799 2.668 1.00 0.00 C ATOM 393 CD2 LEU A 24 -4.939 -0.499 2.813 1.00 0.00 C ATOM 0 H LEU A 24 -2.580 -1.912 5.749 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.291 -1.158 5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.921 -3.315 4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.503 -2.642 3.921 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.419 -0.575 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.341 -0.972 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.056 -2.338 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.274 -2.476 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.472 0.332 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.399 -1.175 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.703 -0.115 3.489 1.00 0.00 H new ATOM 405 N ALA A 25 -4.652 -4.013 7.282 1.00 0.00 N ATOM 406 CA ALA A 25 -5.273 -5.161 7.985 1.00 0.00 C ATOM 407 C ALA A 25 -6.009 -6.028 6.964 1.00 0.00 C ATOM 408 O ALA A 25 -7.148 -6.405 7.154 1.00 0.00 O ATOM 409 CB ALA A 25 -6.245 -4.628 9.027 1.00 0.00 C ATOM 0 H ALA A 25 -3.646 -3.911 7.419 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.513 -5.765 8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.709 -5.463 9.552 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.707 -4.004 9.741 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.016 -4.035 8.536 1.00 0.00 H new ATOM 415 N LEU A 26 -5.355 -6.344 5.879 1.00 0.00 N ATOM 416 CA LEU A 26 -5.992 -7.184 4.827 1.00 0.00 C ATOM 417 C LEU A 26 -6.140 -8.620 5.347 1.00 0.00 C ATOM 418 O LEU A 26 -5.529 -8.981 6.333 1.00 0.00 O ATOM 419 CB LEU A 26 -5.103 -7.169 3.579 1.00 0.00 C ATOM 420 CG LEU A 26 -4.686 -5.730 3.267 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.707 -5.724 2.099 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.923 -4.905 2.902 1.00 0.00 C ATOM 0 H LEU A 26 -4.399 -6.053 5.676 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.978 -6.792 4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.220 -7.788 3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.640 -7.595 2.732 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.206 -5.295 4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.411 -4.699 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.825 -6.308 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.184 -6.161 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.625 -3.880 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.405 -5.340 2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.621 -4.906 3.739 1.00 0.00 H new ATOM 434 N PRO A 27 -6.952 -9.396 4.671 1.00 0.00 N ATOM 435 CA PRO A 27 -7.197 -10.797 5.057 1.00 0.00 C ATOM 436 C PRO A 27 -5.894 -11.596 5.023 1.00 0.00 C ATOM 437 O PRO A 27 -4.842 -11.075 4.713 1.00 0.00 O ATOM 438 CB PRO A 27 -8.172 -11.328 4.005 1.00 0.00 C ATOM 439 CG PRO A 27 -8.541 -10.153 3.066 1.00 0.00 C ATOM 440 CD PRO A 27 -7.686 -8.946 3.474 1.00 0.00 C ATOM 0 HA PRO A 27 -7.594 -10.881 6.069 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.718 -12.141 3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.066 -11.732 4.481 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.354 -10.421 2.026 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.602 -9.916 3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.003 -8.657 2.676 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.306 -8.077 3.693 1.00 0.00 H new ATOM 448 N GLU A 28 -5.959 -12.862 5.329 1.00 0.00 N ATOM 449 CA GLU A 28 -4.729 -13.697 5.302 1.00 0.00 C ATOM 450 C GLU A 28 -4.431 -14.083 3.855 1.00 0.00 C ATOM 451 O GLU A 28 -3.327 -14.457 3.513 1.00 0.00 O ATOM 452 CB GLU A 28 -4.950 -14.960 6.133 1.00 0.00 C ATOM 453 CG GLU A 28 -5.190 -14.576 7.594 1.00 0.00 C ATOM 454 CD GLU A 28 -6.693 -14.549 7.875 1.00 0.00 C ATOM 455 OE1 GLU A 28 -7.346 -15.541 7.595 1.00 0.00 O ATOM 456 OE2 GLU A 28 -7.167 -13.536 8.364 1.00 0.00 O ATOM 0 H GLU A 28 -6.812 -13.353 5.597 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.891 -13.138 5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.804 -15.517 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.082 -15.615 6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.699 -15.291 8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.753 -13.599 7.801 1.00 0.00 H new ATOM 463 N TYR A 29 -5.412 -13.984 3.000 1.00 0.00 N ATOM 464 CA TYR A 29 -5.191 -14.332 1.568 1.00 0.00 C ATOM 465 C TYR A 29 -4.925 -13.050 0.780 1.00 0.00 C ATOM 466 O TYR A 29 -5.037 -13.021 -0.430 1.00 0.00 O ATOM 467 CB TYR A 29 -6.425 -15.043 0.997 1.00 0.00 C ATOM 468 CG TYR A 29 -7.676 -14.536 1.677 1.00 0.00 C ATOM 469 CD1 TYR A 29 -8.194 -13.279 1.345 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.316 -15.325 2.640 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.352 -12.810 1.978 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.474 -14.855 3.272 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.991 -13.598 2.941 1.00 0.00 C ATOM 474 OH TYR A 29 -11.132 -13.136 3.564 1.00 0.00 O ATOM 0 H TYR A 29 -6.357 -13.677 3.231 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.335 -15.002 1.488 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.490 -14.870 -0.077 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.334 -16.120 1.141 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.701 -12.671 0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.917 -16.296 2.895 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.752 -11.840 1.723 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.968 -15.463 4.015 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.449 -13.807 4.204 1.00 0.00 H new ATOM 484 N TYR A 30 -4.569 -11.991 1.462 1.00 0.00 N ATOM 485 CA TYR A 30 -4.285 -10.703 0.762 1.00 0.00 C ATOM 486 C TYR A 30 -3.505 -10.993 -0.522 1.00 0.00 C ATOM 487 O TYR A 30 -2.323 -11.263 -0.493 1.00 0.00 O ATOM 488 CB TYR A 30 -3.453 -9.801 1.683 1.00 0.00 C ATOM 489 CG TYR A 30 -2.968 -8.586 0.923 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.745 -8.043 -0.107 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.738 -8.001 1.253 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.292 -6.918 -0.807 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.284 -6.874 0.554 1.00 0.00 C ATOM 494 CZ TYR A 30 -2.062 -6.334 -0.477 1.00 0.00 C ATOM 495 OH TYR A 30 -1.618 -5.225 -1.168 1.00 0.00 O ATOM 0 H TYR A 30 -4.463 -11.964 2.476 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.219 -10.200 0.513 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.053 -9.489 2.538 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.602 -10.357 2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.694 -8.492 -0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.138 -8.420 2.048 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.891 -6.500 -1.602 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.336 -6.423 0.810 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.748 -4.945 -0.813 1.00 0.00 H new ATOM 505 N GLY A 31 -4.166 -10.953 -1.647 1.00 0.00 N ATOM 506 CA GLY A 31 -3.472 -11.239 -2.936 1.00 0.00 C ATOM 507 C GLY A 31 -2.100 -10.564 -2.952 1.00 0.00 C ATOM 508 O GLY A 31 -1.137 -11.119 -3.438 1.00 0.00 O ATOM 0 H GLY A 31 -5.159 -10.734 -1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.359 -12.315 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.074 -10.878 -3.770 1.00 0.00 H new ATOM 512 N GLU A 32 -2.013 -9.367 -2.429 1.00 0.00 N ATOM 513 CA GLU A 32 -0.711 -8.631 -2.408 1.00 0.00 C ATOM 514 C GLU A 32 -0.486 -7.927 -3.750 1.00 0.00 C ATOM 515 O GLU A 32 0.299 -7.009 -3.849 1.00 0.00 O ATOM 516 CB GLU A 32 0.448 -9.599 -2.145 1.00 0.00 C ATOM 517 CG GLU A 32 0.080 -10.543 -1.000 1.00 0.00 C ATOM 518 CD GLU A 32 1.343 -10.922 -0.225 1.00 0.00 C ATOM 519 OE1 GLU A 32 2.377 -11.075 -0.854 1.00 0.00 O ATOM 520 OE2 GLU A 32 1.255 -11.053 0.985 1.00 0.00 O ATOM 0 H GLU A 32 -2.796 -8.863 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.747 -7.892 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.667 -10.172 -3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.350 -9.042 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.637 -10.062 -0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.401 -11.439 -1.393 1.00 0.00 H new ATOM 527 N ASN A 33 -1.163 -8.345 -4.783 1.00 0.00 N ATOM 528 CA ASN A 33 -0.969 -7.685 -6.107 1.00 0.00 C ATOM 529 C ASN A 33 -1.777 -6.385 -6.162 1.00 0.00 C ATOM 530 O ASN A 33 -2.375 -5.970 -5.190 1.00 0.00 O ATOM 531 CB ASN A 33 -1.410 -8.619 -7.244 1.00 0.00 C ATOM 532 CG ASN A 33 -2.568 -9.509 -6.786 1.00 0.00 C ATOM 533 OD1 ASN A 33 -2.360 -10.502 -6.117 1.00 0.00 O ATOM 534 ND2 ASN A 33 -3.786 -9.198 -7.127 1.00 0.00 N ATOM 0 H ASN A 33 -1.838 -9.110 -4.770 1.00 0.00 H new ATOM 0 HA ASN A 33 0.090 -7.459 -6.232 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.716 -8.030 -8.109 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.571 -9.238 -7.561 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.564 -9.788 -6.833 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.961 -8.365 -7.688 1.00 0.00 H new ATOM 541 N LEU A 34 -1.787 -5.737 -7.294 1.00 0.00 N ATOM 542 CA LEU A 34 -2.543 -4.457 -7.431 1.00 0.00 C ATOM 543 C LEU A 34 -4.042 -4.735 -7.457 1.00 0.00 C ATOM 544 O LEU A 34 -4.829 -4.035 -6.864 1.00 0.00 O ATOM 545 CB LEU A 34 -2.162 -3.801 -8.751 1.00 0.00 C ATOM 546 CG LEU A 34 -0.673 -3.461 -8.749 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.239 -3.073 -10.164 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.422 -2.290 -7.798 1.00 0.00 C ATOM 0 H LEU A 34 -1.300 -6.041 -8.137 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.302 -3.809 -6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.390 -4.471 -9.580 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.751 -2.896 -8.901 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.100 -4.327 -8.418 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.824 -2.830 -10.165 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.421 -3.907 -10.842 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.810 -2.205 -10.495 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.640 -2.045 -7.795 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.993 -1.423 -8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.734 -2.566 -6.791 1.00 0.00 H new ATOM 560 N ASP A 35 -4.432 -5.740 -8.172 1.00 0.00 N ATOM 561 CA ASP A 35 -5.873 -6.087 -8.287 1.00 0.00 C ATOM 562 C ASP A 35 -6.447 -6.455 -6.919 1.00 0.00 C ATOM 563 O ASP A 35 -7.582 -6.149 -6.607 1.00 0.00 O ATOM 564 CB ASP A 35 -6.002 -7.296 -9.200 1.00 0.00 C ATOM 565 CG ASP A 35 -5.724 -6.883 -10.646 1.00 0.00 C ATOM 566 OD1 ASP A 35 -4.562 -6.732 -10.986 1.00 0.00 O ATOM 567 OD2 ASP A 35 -6.678 -6.726 -11.390 1.00 0.00 O ATOM 0 H ASP A 35 -3.804 -6.351 -8.694 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.417 -5.230 -8.684 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.301 -8.072 -8.892 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.003 -7.720 -9.119 1.00 0.00 H new ATOM 572 N ALA A 36 -5.678 -7.118 -6.106 1.00 0.00 N ATOM 573 CA ALA A 36 -6.194 -7.515 -4.764 1.00 0.00 C ATOM 574 C ALA A 36 -6.111 -6.320 -3.838 1.00 0.00 C ATOM 575 O ALA A 36 -7.086 -5.907 -3.243 1.00 0.00 O ATOM 576 CB ALA A 36 -5.350 -8.648 -4.190 1.00 0.00 C ATOM 0 H ALA A 36 -4.719 -7.402 -6.308 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.226 -7.853 -4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.736 -8.929 -3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.393 -9.508 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.316 -8.317 -4.091 1.00 0.00 H new ATOM 582 N LEU A 37 -4.950 -5.751 -3.734 1.00 0.00 N ATOM 583 CA LEU A 37 -4.777 -4.558 -2.870 1.00 0.00 C ATOM 584 C LEU A 37 -5.953 -3.623 -3.133 1.00 0.00 C ATOM 585 O LEU A 37 -6.630 -3.146 -2.234 1.00 0.00 O ATOM 586 CB LEU A 37 -3.468 -3.869 -3.261 1.00 0.00 C ATOM 587 CG LEU A 37 -3.486 -2.410 -2.799 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.388 -2.353 -1.273 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.298 -1.667 -3.415 1.00 0.00 C ATOM 0 H LEU A 37 -4.106 -6.063 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.743 -4.828 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.624 -4.391 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.332 -3.915 -4.341 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.416 -1.940 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.401 -1.313 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.234 -2.882 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.459 -2.823 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.309 -0.628 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.369 -2.138 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.369 -1.705 -4.502 1.00 0.00 H new ATOM 601 N TRP A 38 -6.194 -3.379 -4.381 1.00 0.00 N ATOM 602 CA TRP A 38 -7.309 -2.509 -4.776 1.00 0.00 C ATOM 603 C TRP A 38 -8.588 -3.102 -4.241 1.00 0.00 C ATOM 604 O TRP A 38 -9.331 -2.474 -3.520 1.00 0.00 O ATOM 605 CB TRP A 38 -7.403 -2.465 -6.295 1.00 0.00 C ATOM 606 CG TRP A 38 -8.545 -1.595 -6.666 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.810 -2.014 -6.807 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.549 -0.172 -6.913 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.605 -0.931 -7.146 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.863 0.234 -7.222 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.541 0.792 -6.903 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -10.162 1.566 -7.511 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.824 2.121 -7.183 1.00 0.00 C ATOM 614 CH2 TRP A 38 -9.136 2.519 -7.489 1.00 0.00 C ATOM 0 H TRP A 38 -5.650 -3.757 -5.157 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.151 -1.504 -4.384 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.477 -2.079 -6.722 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.544 -3.469 -6.696 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.154 -3.030 -6.678 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.609 -0.986 -7.318 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.527 0.500 -6.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.174 1.859 -7.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -7.031 2.854 -7.166 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.352 3.555 -7.706 1.00 0.00 H new ATOM 625 N ASP A 39 -8.838 -4.324 -4.588 1.00 0.00 N ATOM 626 CA ASP A 39 -10.065 -4.994 -4.100 1.00 0.00 C ATOM 627 C ASP A 39 -10.217 -4.691 -2.613 1.00 0.00 C ATOM 628 O ASP A 39 -11.304 -4.686 -2.071 1.00 0.00 O ATOM 629 CB ASP A 39 -9.940 -6.500 -4.309 1.00 0.00 C ATOM 630 CG ASP A 39 -10.598 -6.892 -5.633 1.00 0.00 C ATOM 631 OD1 ASP A 39 -10.659 -6.050 -6.513 1.00 0.00 O ATOM 632 OD2 ASP A 39 -11.030 -8.027 -5.743 1.00 0.00 O ATOM 0 H ASP A 39 -8.243 -4.892 -5.192 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.936 -4.633 -4.646 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.889 -6.790 -4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.414 -7.032 -3.484 1.00 0.00 H new ATOM 637 N CYS A 40 -9.121 -4.429 -1.952 1.00 0.00 N ATOM 638 CA CYS A 40 -9.177 -4.114 -0.504 1.00 0.00 C ATOM 639 C CYS A 40 -9.635 -2.665 -0.306 1.00 0.00 C ATOM 640 O CYS A 40 -10.563 -2.397 0.430 1.00 0.00 O ATOM 641 CB CYS A 40 -7.785 -4.293 0.098 1.00 0.00 C ATOM 642 SG CYS A 40 -7.059 -5.838 -0.504 1.00 0.00 S ATOM 0 H CYS A 40 -8.186 -4.421 -2.360 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.883 -4.783 -0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.149 -3.450 -0.173 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.847 -4.308 1.186 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.309 -5.969 -1.773 1.00 0.00 H new ATOM 648 N LEU A 41 -8.988 -1.725 -0.946 1.00 0.00 N ATOM 649 CA LEU A 41 -9.378 -0.305 -0.777 1.00 0.00 C ATOM 650 C LEU A 41 -10.842 -0.087 -1.182 1.00 0.00 C ATOM 651 O LEU A 41 -11.610 0.527 -0.469 1.00 0.00 O ATOM 652 CB LEU A 41 -8.483 0.554 -1.667 1.00 0.00 C ATOM 653 CG LEU A 41 -7.033 0.079 -1.558 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.127 1.079 -2.259 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.637 -0.029 -0.084 1.00 0.00 C ATOM 0 H LEU A 41 -8.205 -1.887 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.264 -0.029 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.818 0.493 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.556 1.600 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.931 -0.899 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.092 0.746 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.410 1.153 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.229 2.056 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.604 -0.368 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.735 0.947 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.290 -0.743 0.417 1.00 0.00 H new ATOM 667 N THR A 42 -11.219 -0.555 -2.339 1.00 0.00 N ATOM 668 CA THR A 42 -12.606 -0.351 -2.825 1.00 0.00 C ATOM 669 C THR A 42 -13.607 -1.208 -2.044 1.00 0.00 C ATOM 670 O THR A 42 -14.797 -1.129 -2.275 1.00 0.00 O ATOM 671 CB THR A 42 -12.674 -0.719 -4.308 1.00 0.00 C ATOM 672 OG1 THR A 42 -12.137 -2.021 -4.497 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.864 0.294 -5.117 1.00 0.00 C ATOM 0 H THR A 42 -10.615 -1.076 -2.974 1.00 0.00 H new ATOM 0 HA THR A 42 -12.871 0.696 -2.677 1.00 0.00 H new ATOM 0 HB THR A 42 -13.711 -0.705 -4.643 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.469 -1.998 -5.214 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.910 0.035 -6.175 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.278 1.292 -4.969 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.826 0.279 -4.785 1.00 0.00 H new ATOM 681 N GLY A 43 -13.162 -2.026 -1.129 1.00 0.00 N ATOM 682 CA GLY A 43 -14.149 -2.859 -0.378 1.00 0.00 C ATOM 683 C GLY A 43 -13.462 -3.695 0.703 1.00 0.00 C ATOM 684 O GLY A 43 -13.426 -4.907 0.628 1.00 0.00 O ATOM 0 H GLY A 43 -12.183 -2.154 -0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.899 -2.214 0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.674 -3.517 -1.070 1.00 0.00 H new ATOM 688 N TRP A 44 -12.937 -3.064 1.717 1.00 0.00 N ATOM 689 CA TRP A 44 -12.275 -3.827 2.809 1.00 0.00 C ATOM 690 C TRP A 44 -11.677 -2.848 3.820 1.00 0.00 C ATOM 691 O TRP A 44 -12.024 -2.849 4.984 1.00 0.00 O ATOM 692 CB TRP A 44 -11.165 -4.698 2.228 1.00 0.00 C ATOM 693 CG TRP A 44 -10.602 -5.556 3.310 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.571 -5.208 4.109 1.00 0.00 C ATOM 695 CD2 TRP A 44 -11.021 -6.886 3.733 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.321 -6.243 4.992 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.191 -7.299 4.802 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.028 -7.766 3.297 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.354 -8.541 5.416 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.195 -9.017 3.913 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.360 -9.403 4.971 1.00 0.00 C ATOM 0 H TRP A 44 -12.939 -2.051 1.835 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.010 -4.462 3.304 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.557 -5.318 1.422 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.382 -4.073 1.798 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.030 -4.274 4.066 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.584 -6.228 5.697 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.677 -7.478 2.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.707 -8.834 6.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -12.971 -9.685 3.570 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.494 -10.366 5.442 1.00 0.00 H new ATOM 712 N VAL A 45 -10.776 -2.016 3.381 1.00 0.00 N ATOM 713 CA VAL A 45 -10.146 -1.039 4.300 1.00 0.00 C ATOM 714 C VAL A 45 -11.154 0.056 4.654 1.00 0.00 C ATOM 715 O VAL A 45 -11.978 0.436 3.846 1.00 0.00 O ATOM 716 CB VAL A 45 -8.929 -0.414 3.617 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.090 0.334 4.654 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.081 -1.517 2.975 1.00 0.00 C ATOM 0 H VAL A 45 -10.449 -1.973 2.416 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.832 -1.547 5.212 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.263 0.283 2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.222 0.780 4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.692 1.119 5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.757 -0.363 5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.213 -1.072 2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.748 -2.214 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.678 -2.051 2.236 1.00 0.00 H new ATOM 728 N GLU A 46 -11.096 0.571 5.852 1.00 0.00 N ATOM 729 CA GLU A 46 -12.053 1.643 6.244 1.00 0.00 C ATOM 730 C GLU A 46 -11.385 3.010 6.077 1.00 0.00 C ATOM 731 O GLU A 46 -10.234 3.199 6.418 1.00 0.00 O ATOM 732 CB GLU A 46 -12.480 1.450 7.701 1.00 0.00 C ATOM 733 CG GLU A 46 -11.261 1.573 8.616 1.00 0.00 C ATOM 734 CD GLU A 46 -11.704 1.433 10.074 1.00 0.00 C ATOM 735 OE1 GLU A 46 -12.281 2.377 10.590 1.00 0.00 O ATOM 736 OE2 GLU A 46 -11.461 0.385 10.649 1.00 0.00 O ATOM 0 H GLU A 46 -10.429 0.297 6.574 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.935 1.591 5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.227 2.195 7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.944 0.472 7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.529 0.803 8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.774 2.536 8.463 1.00 0.00 H new ATOM 743 N TYR A 47 -12.101 3.960 5.545 1.00 0.00 N ATOM 744 CA TYR A 47 -11.525 5.318 5.337 1.00 0.00 C ATOM 745 C TYR A 47 -12.289 6.318 6.218 1.00 0.00 C ATOM 746 O TYR A 47 -13.307 5.966 6.780 1.00 0.00 O ATOM 747 CB TYR A 47 -11.670 5.670 3.851 1.00 0.00 C ATOM 748 CG TYR A 47 -10.736 4.805 3.025 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.670 4.120 3.629 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.938 4.687 1.646 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.819 3.325 2.856 1.00 0.00 C ATOM 752 CE2 TYR A 47 -10.083 3.892 0.878 1.00 0.00 C ATOM 753 CZ TYR A 47 -9.025 3.211 1.482 1.00 0.00 C ATOM 754 OH TYR A 47 -8.185 2.424 0.721 1.00 0.00 O ATOM 0 H TYR A 47 -13.069 3.853 5.243 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.471 5.352 5.612 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.701 5.517 3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.440 6.724 3.693 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.507 4.207 4.693 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.756 5.211 1.174 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.001 2.798 3.324 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.241 3.804 -0.187 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.267 2.759 0.794 1.00 0.00 H new ATOM 764 N PRO A 48 -11.788 7.532 6.341 1.00 0.00 N ATOM 765 CA PRO A 48 -10.548 8.003 5.672 1.00 0.00 C ATOM 766 C PRO A 48 -9.318 7.204 6.106 1.00 0.00 C ATOM 767 O PRO A 48 -9.128 6.911 7.270 1.00 0.00 O ATOM 768 CB PRO A 48 -10.399 9.466 6.113 1.00 0.00 C ATOM 769 CG PRO A 48 -11.575 9.799 7.063 1.00 0.00 C ATOM 770 CD PRO A 48 -12.449 8.543 7.184 1.00 0.00 C ATOM 0 HA PRO A 48 -10.618 7.883 4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.445 9.617 6.619 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.409 10.128 5.247 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.202 10.101 8.042 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.157 10.634 6.673 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.518 8.209 8.219 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.466 8.736 6.843 1.00 0.00 H new ATOM 778 N LEU A 49 -8.474 6.865 5.168 1.00 0.00 N ATOM 779 CA LEU A 49 -7.242 6.099 5.503 1.00 0.00 C ATOM 780 C LEU A 49 -6.029 6.992 5.263 1.00 0.00 C ATOM 781 O LEU A 49 -6.056 7.887 4.445 1.00 0.00 O ATOM 782 CB LEU A 49 -7.147 4.864 4.588 1.00 0.00 C ATOM 783 CG LEU A 49 -5.683 4.441 4.374 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.120 3.826 5.657 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.608 3.419 3.238 1.00 0.00 C ATOM 0 H LEU A 49 -8.587 7.088 4.179 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.273 5.781 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.706 4.038 5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.609 5.085 3.626 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.092 5.320 4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.084 3.530 5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.166 4.559 6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.709 2.950 5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.571 3.119 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.205 2.544 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.995 3.865 2.322 1.00 0.00 H new ATOM 797 N VAL A 50 -4.950 6.721 5.933 1.00 0.00 N ATOM 798 CA VAL A 50 -3.724 7.519 5.697 1.00 0.00 C ATOM 799 C VAL A 50 -2.664 6.570 5.132 1.00 0.00 C ATOM 800 O VAL A 50 -2.492 5.469 5.607 1.00 0.00 O ATOM 801 CB VAL A 50 -3.244 8.163 7.021 1.00 0.00 C ATOM 802 CG1 VAL A 50 -1.814 7.723 7.373 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.263 9.684 6.877 1.00 0.00 C ATOM 0 H VAL A 50 -4.864 5.983 6.632 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.915 8.329 4.993 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.915 7.839 7.816 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.508 8.193 8.308 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.784 6.639 7.485 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.134 8.024 6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.926 10.142 7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.599 9.981 6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.277 10.016 6.656 1.00 0.00 H new ATOM 813 N LEU A 51 -1.932 6.988 4.150 1.00 0.00 N ATOM 814 CA LEU A 51 -0.869 6.106 3.613 1.00 0.00 C ATOM 815 C LEU A 51 0.447 6.846 3.770 1.00 0.00 C ATOM 816 O LEU A 51 0.921 7.503 2.863 1.00 0.00 O ATOM 817 CB LEU A 51 -1.110 5.761 2.136 1.00 0.00 C ATOM 818 CG LEU A 51 0.004 4.822 1.661 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.147 3.469 2.348 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.091 4.610 0.153 1.00 0.00 C ATOM 0 H LEU A 51 -2.021 7.897 3.696 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.861 5.162 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.083 5.285 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.121 6.669 1.533 1.00 0.00 H new ATOM 0 HG LEU A 51 0.967 5.270 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.645 2.800 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.077 3.599 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.117 3.039 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.706 3.941 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.057 4.169 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.010 5.568 -0.356 1.00 0.00 H new ATOM 832 N GLU A 52 1.031 6.757 4.929 1.00 0.00 N ATOM 833 CA GLU A 52 2.309 7.464 5.170 1.00 0.00 C ATOM 834 C GLU A 52 3.421 6.666 4.503 1.00 0.00 C ATOM 835 O GLU A 52 4.097 5.862 5.117 1.00 0.00 O ATOM 836 CB GLU A 52 2.545 7.567 6.679 1.00 0.00 C ATOM 837 CG GLU A 52 3.994 7.978 6.951 1.00 0.00 C ATOM 838 CD GLU A 52 4.178 8.235 8.448 1.00 0.00 C ATOM 839 OE1 GLU A 52 3.590 7.508 9.231 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.905 9.155 8.785 1.00 0.00 O ATOM 0 H GLU A 52 0.674 6.222 5.721 1.00 0.00 H new ATOM 0 HA GLU A 52 2.286 8.472 4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.863 8.297 7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.333 6.610 7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.674 7.194 6.619 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.241 8.875 6.384 1.00 0.00 H new ATOM 847 N TRP A 53 3.589 6.874 3.229 1.00 0.00 N ATOM 848 CA TRP A 53 4.626 6.133 2.476 1.00 0.00 C ATOM 849 C TRP A 53 5.992 6.783 2.704 1.00 0.00 C ATOM 850 O TRP A 53 6.228 7.909 2.313 1.00 0.00 O ATOM 851 CB TRP A 53 4.280 6.165 0.989 1.00 0.00 C ATOM 852 CG TRP A 53 4.938 5.010 0.320 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.261 4.746 0.377 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.339 3.958 -0.493 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.518 3.603 -0.349 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.369 3.081 -0.903 1.00 0.00 C ATOM 857 CE3 TRP A 53 3.019 3.678 -0.915 1.00 0.00 C ATOM 858 CZ2 TRP A 53 5.112 1.972 -1.695 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.758 2.552 -1.723 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.805 1.703 -2.110 1.00 0.00 C ATOM 0 H TRP A 53 3.044 7.534 2.674 1.00 0.00 H new ATOM 0 HA TRP A 53 4.663 5.100 2.821 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.200 6.116 0.851 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.616 7.101 0.543 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.997 5.334 0.905 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.445 3.193 -0.462 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.209 4.328 -0.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.919 1.318 -1.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.749 2.343 -2.045 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.601 0.841 -2.729 1.00 0.00 H new ATOM 871 N ARG A 54 6.892 6.082 3.336 1.00 0.00 N ATOM 872 CA ARG A 54 8.242 6.657 3.593 1.00 0.00 C ATOM 873 C ARG A 54 9.269 5.992 2.674 1.00 0.00 C ATOM 874 O ARG A 54 9.166 4.826 2.350 1.00 0.00 O ATOM 875 CB ARG A 54 8.633 6.405 5.050 1.00 0.00 C ATOM 876 CG ARG A 54 9.687 7.427 5.481 1.00 0.00 C ATOM 877 CD ARG A 54 8.996 8.716 5.929 1.00 0.00 C ATOM 878 NE ARG A 54 8.711 8.651 7.392 1.00 0.00 N ATOM 879 CZ ARG A 54 8.357 7.521 7.942 1.00 0.00 C ATOM 880 NH1 ARG A 54 9.269 6.679 8.348 1.00 0.00 N ATOM 881 NH2 ARG A 54 7.093 7.232 8.085 1.00 0.00 N ATOM 0 H ARG A 54 6.751 5.134 3.686 1.00 0.00 H new ATOM 0 HA ARG A 54 8.220 7.729 3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.755 6.480 5.691 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.024 5.394 5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.289 7.023 6.295 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.367 7.635 4.655 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.630 9.575 5.710 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.068 8.855 5.374 1.00 0.00 H new ATOM 0 HE ARG A 54 8.793 9.492 7.964 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.257 6.904 8.235 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.993 5.796 8.778 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.380 7.889 7.767 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.817 6.349 8.515 1.00 0.00 H new ATOM 895 N GLN A 55 10.265 6.725 2.260 1.00 0.00 N ATOM 896 CA GLN A 55 11.307 6.139 1.371 1.00 0.00 C ATOM 897 C GLN A 55 10.687 5.741 0.029 1.00 0.00 C ATOM 898 O GLN A 55 10.839 4.625 -0.427 1.00 0.00 O ATOM 899 CB GLN A 55 11.907 4.901 2.040 1.00 0.00 C ATOM 900 CG GLN A 55 13.407 4.837 1.743 1.00 0.00 C ATOM 901 CD GLN A 55 14.185 5.456 2.906 1.00 0.00 C ATOM 902 OE1 GLN A 55 14.985 4.794 3.537 1.00 0.00 O ATOM 903 NE2 GLN A 55 13.982 6.707 3.218 1.00 0.00 N ATOM 0 H GLN A 55 10.403 7.707 2.500 1.00 0.00 H new ATOM 0 HA GLN A 55 12.088 6.880 1.198 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.740 4.939 3.116 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.414 4.001 1.673 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.715 3.802 1.595 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.628 5.370 0.819 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.310 7.262 2.688 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.495 7.129 3.992 1.00 0.00 H new ATOM 912 N PHE A 56 9.997 6.644 -0.614 1.00 0.00 N ATOM 913 CA PHE A 56 9.383 6.308 -1.929 1.00 0.00 C ATOM 914 C PHE A 56 10.489 6.215 -2.982 1.00 0.00 C ATOM 915 O PHE A 56 11.503 6.873 -2.877 1.00 0.00 O ATOM 916 CB PHE A 56 8.386 7.395 -2.324 1.00 0.00 C ATOM 917 CG PHE A 56 7.358 6.818 -3.267 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.329 6.009 -2.769 1.00 0.00 C ATOM 919 CD2 PHE A 56 7.432 7.091 -4.638 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.374 5.473 -3.642 1.00 0.00 C ATOM 921 CE2 PHE A 56 6.477 6.555 -5.511 1.00 0.00 C ATOM 922 CZ PHE A 56 5.449 5.746 -5.013 1.00 0.00 C ATOM 0 H PHE A 56 9.833 7.596 -0.287 1.00 0.00 H new ATOM 0 HA PHE A 56 8.859 5.355 -1.859 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.896 7.794 -1.436 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.907 8.225 -2.801 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.272 5.798 -1.711 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.225 7.715 -5.022 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.580 4.849 -3.258 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.534 6.766 -6.569 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.713 5.332 -5.687 1.00 0.00 H new ATOM 932 N GLU A 57 10.302 5.389 -3.980 1.00 0.00 N ATOM 933 CA GLU A 57 11.342 5.215 -5.044 1.00 0.00 C ATOM 934 C GLU A 57 12.381 4.210 -4.551 1.00 0.00 C ATOM 935 O GLU A 57 12.763 3.299 -5.259 1.00 0.00 O ATOM 936 CB GLU A 57 12.034 6.540 -5.363 1.00 0.00 C ATOM 937 CG GLU A 57 10.988 7.633 -5.601 1.00 0.00 C ATOM 938 CD GLU A 57 10.115 7.253 -6.797 1.00 0.00 C ATOM 939 OE1 GLU A 57 10.474 7.612 -7.906 1.00 0.00 O ATOM 940 OE2 GLU A 57 9.101 6.608 -6.585 1.00 0.00 O ATOM 0 H GLU A 57 9.464 4.821 -4.106 1.00 0.00 H new ATOM 0 HA GLU A 57 10.858 4.857 -5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.689 6.825 -4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.663 6.428 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.370 7.759 -4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.480 8.588 -5.785 1.00 0.00 H new ATOM 947 N GLN A 58 12.826 4.355 -3.332 1.00 0.00 N ATOM 948 CA GLN A 58 13.807 3.400 -2.780 1.00 0.00 C ATOM 949 C GLN A 58 13.071 2.088 -2.546 1.00 0.00 C ATOM 950 O GLN A 58 13.641 1.017 -2.599 1.00 0.00 O ATOM 951 CB GLN A 58 14.363 3.932 -1.457 1.00 0.00 C ATOM 952 CG GLN A 58 15.135 5.229 -1.711 1.00 0.00 C ATOM 953 CD GLN A 58 16.240 4.973 -2.737 1.00 0.00 C ATOM 954 OE1 GLN A 58 16.689 3.855 -2.898 1.00 0.00 O ATOM 955 NE2 GLN A 58 16.701 5.969 -3.443 1.00 0.00 N ATOM 0 H GLN A 58 12.545 5.102 -2.697 1.00 0.00 H new ATOM 0 HA GLN A 58 14.642 3.259 -3.466 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.549 4.113 -0.755 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.018 3.190 -1.001 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.458 6.002 -2.075 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.567 5.596 -0.780 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.324 6.907 -3.308 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.438 5.809 -4.130 1.00 0.00 H new ATOM 964 N SER A 59 11.787 2.180 -2.316 1.00 0.00 N ATOM 965 CA SER A 59 10.969 0.958 -2.110 1.00 0.00 C ATOM 966 C SER A 59 10.504 0.459 -3.480 1.00 0.00 C ATOM 967 O SER A 59 9.697 -0.443 -3.587 1.00 0.00 O ATOM 968 CB SER A 59 9.756 1.289 -1.242 1.00 0.00 C ATOM 969 OG SER A 59 9.649 2.700 -1.102 1.00 0.00 O ATOM 0 H SER A 59 11.270 3.058 -2.263 1.00 0.00 H new ATOM 0 HA SER A 59 11.558 0.190 -1.609 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.850 0.887 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.857 0.821 -0.263 1.00 0.00 H new ATOM 0 HG SER A 59 10.380 3.029 -0.538 1.00 0.00 H new ATOM 975 N LYS A 60 11.029 1.036 -4.532 1.00 0.00 N ATOM 976 CA LYS A 60 10.646 0.598 -5.901 1.00 0.00 C ATOM 977 C LYS A 60 11.796 -0.219 -6.503 1.00 0.00 C ATOM 978 O LYS A 60 11.588 -1.103 -7.310 1.00 0.00 O ATOM 979 CB LYS A 60 10.378 1.833 -6.767 1.00 0.00 C ATOM 980 CG LYS A 60 10.360 1.439 -8.246 1.00 0.00 C ATOM 981 CD LYS A 60 10.172 2.691 -9.105 1.00 0.00 C ATOM 982 CE LYS A 60 11.328 2.807 -10.099 1.00 0.00 C ATOM 983 NZ LYS A 60 12.621 2.821 -9.358 1.00 0.00 N ATOM 0 H LYS A 60 11.709 1.795 -4.497 1.00 0.00 H new ATOM 0 HA LYS A 60 9.746 -0.016 -5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.424 2.282 -6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.147 2.585 -6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.292 0.939 -8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.553 0.731 -8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.223 2.639 -9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.133 3.577 -8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.306 1.971 -10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.225 3.718 -10.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.294 3.447 -9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.463 3.169 -8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.010 1.857 -9.320 1.00 0.00 H new ATOM 997 N GLN A 61 13.013 0.076 -6.118 1.00 0.00 N ATOM 998 CA GLN A 61 14.178 -0.673 -6.668 1.00 0.00 C ATOM 999 C GLN A 61 14.238 -2.082 -6.065 1.00 0.00 C ATOM 1000 O GLN A 61 14.070 -3.067 -6.755 1.00 0.00 O ATOM 1001 CB GLN A 61 15.469 0.076 -6.329 1.00 0.00 C ATOM 1002 CG GLN A 61 15.249 1.580 -6.501 1.00 0.00 C ATOM 1003 CD GLN A 61 16.603 2.288 -6.580 1.00 0.00 C ATOM 1004 OE1 GLN A 61 17.503 1.829 -7.255 1.00 0.00 O ATOM 1005 NE2 GLN A 61 16.787 3.394 -5.913 1.00 0.00 N ATOM 0 H GLN A 61 13.247 0.806 -5.445 1.00 0.00 H new ATOM 0 HA GLN A 61 14.067 -0.754 -7.749 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.770 -0.143 -5.305 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.278 -0.260 -6.978 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.672 1.773 -7.406 1.00 0.00 H new ATOM 0 HG3 GLN A 61 14.670 1.972 -5.665 1.00 0.00 H new ATOM 0 HE21 GLN A 61 16.032 3.779 -5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 61 17.686 3.873 -5.958 1.00 0.00 H new ATOM 1014 N LEU A 62 14.481 -2.160 -4.779 1.00 0.00 N ATOM 1015 CA LEU A 62 14.565 -3.477 -4.057 1.00 0.00 C ATOM 1016 C LEU A 62 13.724 -4.520 -4.777 1.00 0.00 C ATOM 1017 O LEU A 62 14.232 -5.338 -5.515 1.00 0.00 O ATOM 1018 CB LEU A 62 14.036 -3.340 -2.617 1.00 0.00 C ATOM 1019 CG LEU A 62 13.579 -1.905 -2.321 1.00 0.00 C ATOM 1020 CD1 LEU A 62 12.446 -1.496 -3.272 1.00 0.00 C ATOM 1021 CD2 LEU A 62 13.077 -1.825 -0.877 1.00 0.00 C ATOM 0 H LEU A 62 14.629 -1.347 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 62 15.611 -3.783 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.203 -4.027 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.816 -3.627 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 62 14.422 -1.229 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.134 -0.476 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.798 -1.550 -4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.600 -2.171 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.751 -0.808 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.240 -2.510 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.882 -2.100 -0.196 1.00 0.00 H new ATOM 1033 N THR A 63 12.438 -4.488 -4.571 1.00 0.00 N ATOM 1034 CA THR A 63 11.551 -5.462 -5.257 1.00 0.00 C ATOM 1035 C THR A 63 11.271 -4.951 -6.667 1.00 0.00 C ATOM 1036 O THR A 63 10.182 -4.519 -6.959 1.00 0.00 O ATOM 1037 CB THR A 63 10.233 -5.629 -4.485 1.00 0.00 C ATOM 1038 OG1 THR A 63 9.210 -6.026 -5.387 1.00 0.00 O ATOM 1039 CG2 THR A 63 9.832 -4.313 -3.811 1.00 0.00 C ATOM 0 H THR A 63 11.963 -3.827 -3.956 1.00 0.00 H new ATOM 0 HA THR A 63 12.041 -6.435 -5.301 1.00 0.00 H new ATOM 0 HB THR A 63 10.370 -6.389 -3.715 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.933 -5.256 -5.926 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.896 -4.452 -3.269 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.613 -4.008 -3.114 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.701 -3.541 -4.569 1.00 0.00 H new ATOM 1047 N GLU A 64 12.278 -5.003 -7.516 1.00 0.00 N ATOM 1048 CA GLU A 64 12.182 -4.539 -8.943 1.00 0.00 C ATOM 1049 C GLU A 64 10.764 -4.111 -9.327 1.00 0.00 C ATOM 1050 O GLU A 64 10.557 -2.989 -9.742 1.00 0.00 O ATOM 1051 CB GLU A 64 12.631 -5.679 -9.854 1.00 0.00 C ATOM 1052 CG GLU A 64 14.054 -5.408 -10.347 1.00 0.00 C ATOM 1053 CD GLU A 64 15.059 -5.964 -9.336 1.00 0.00 C ATOM 1054 OE1 GLU A 64 15.176 -7.175 -9.252 1.00 0.00 O ATOM 1055 OE2 GLU A 64 15.694 -5.169 -8.663 1.00 0.00 O ATOM 0 H GLU A 64 13.199 -5.363 -7.265 1.00 0.00 H new ATOM 0 HA GLU A 64 12.823 -3.665 -9.057 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.596 -6.625 -9.314 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.952 -5.770 -10.702 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.207 -5.872 -11.321 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.207 -4.337 -10.477 1.00 0.00 H new ATOM 1062 N ASN A 65 9.796 -4.996 -9.198 1.00 0.00 N ATOM 1063 CA ASN A 65 8.379 -4.652 -9.551 1.00 0.00 C ATOM 1064 C ASN A 65 8.150 -3.146 -9.398 1.00 0.00 C ATOM 1065 O ASN A 65 7.747 -2.475 -10.327 1.00 0.00 O ATOM 1066 CB ASN A 65 7.427 -5.407 -8.622 1.00 0.00 C ATOM 1067 CG ASN A 65 6.083 -5.613 -9.323 1.00 0.00 C ATOM 1068 OD1 ASN A 65 5.405 -4.661 -9.652 1.00 0.00 O ATOM 1069 ND2 ASN A 65 5.669 -6.826 -9.569 1.00 0.00 N ATOM 0 H ASN A 65 9.931 -5.949 -8.860 1.00 0.00 H new ATOM 0 HA ASN A 65 8.190 -4.938 -10.586 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.857 -6.370 -8.348 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.285 -4.847 -7.698 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.775 -6.975 -10.038 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.239 -7.625 -9.292 1.00 0.00 H new ATOM 1076 N GLY A 66 8.426 -2.602 -8.241 1.00 0.00 N ATOM 1077 CA GLY A 66 8.247 -1.140 -8.055 1.00 0.00 C ATOM 1078 C GLY A 66 6.918 -0.861 -7.364 1.00 0.00 C ATOM 1079 O GLY A 66 5.858 -0.957 -7.951 1.00 0.00 O ATOM 0 H GLY A 66 8.766 -3.108 -7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.067 -0.738 -7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.277 -0.636 -9.021 1.00 0.00 H new ATOM 1083 N ALA A 67 6.981 -0.512 -6.118 1.00 0.00 N ATOM 1084 CA ALA A 67 5.756 -0.211 -5.345 1.00 0.00 C ATOM 1085 C ALA A 67 4.966 0.909 -6.019 1.00 0.00 C ATOM 1086 O ALA A 67 3.806 1.126 -5.733 1.00 0.00 O ATOM 1087 CB ALA A 67 6.185 0.248 -3.969 1.00 0.00 C ATOM 0 H ALA A 67 7.850 -0.421 -5.591 1.00 0.00 H new ATOM 0 HA ALA A 67 5.124 -1.097 -5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.303 0.479 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.756 -0.543 -3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.805 1.140 -4.060 1.00 0.00 H new ATOM 1093 N GLU A 68 5.587 1.617 -6.913 1.00 0.00 N ATOM 1094 CA GLU A 68 4.889 2.717 -7.612 1.00 0.00 C ATOM 1095 C GLU A 68 3.498 2.243 -8.059 1.00 0.00 C ATOM 1096 O GLU A 68 2.591 3.033 -8.235 1.00 0.00 O ATOM 1097 CB GLU A 68 5.773 3.161 -8.793 1.00 0.00 C ATOM 1098 CG GLU A 68 5.083 2.886 -10.123 1.00 0.00 C ATOM 1099 CD GLU A 68 5.849 3.575 -11.254 1.00 0.00 C ATOM 1100 OE1 GLU A 68 6.966 4.001 -11.013 1.00 0.00 O ATOM 1101 OE2 GLU A 68 5.305 3.665 -12.343 1.00 0.00 O ATOM 0 H GLU A 68 6.559 1.477 -7.190 1.00 0.00 H new ATOM 0 HA GLU A 68 4.732 3.574 -6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.994 4.225 -8.707 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.726 2.633 -8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.036 1.812 -10.304 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.056 3.249 -10.093 1.00 0.00 H new ATOM 1108 N SER A 69 3.322 0.962 -8.234 1.00 0.00 N ATOM 1109 CA SER A 69 1.992 0.444 -8.656 1.00 0.00 C ATOM 1110 C SER A 69 1.049 0.435 -7.449 1.00 0.00 C ATOM 1111 O SER A 69 -0.076 0.895 -7.521 1.00 0.00 O ATOM 1112 CB SER A 69 2.148 -0.977 -9.191 1.00 0.00 C ATOM 1113 OG SER A 69 2.972 -0.956 -10.349 1.00 0.00 O ATOM 0 H SER A 69 4.043 0.252 -8.103 1.00 0.00 H new ATOM 0 HA SER A 69 1.580 1.082 -9.438 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.589 -1.618 -8.428 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.171 -1.396 -9.433 1.00 0.00 H new ATOM 0 HG SER A 69 3.075 -1.868 -10.694 1.00 0.00 H new ATOM 1119 N VAL A 70 1.505 -0.069 -6.334 1.00 0.00 N ATOM 1120 CA VAL A 70 0.648 -0.092 -5.122 1.00 0.00 C ATOM 1121 C VAL A 70 0.155 1.328 -4.875 1.00 0.00 C ATOM 1122 O VAL A 70 -1.013 1.567 -4.630 1.00 0.00 O ATOM 1123 CB VAL A 70 1.479 -0.574 -3.932 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.685 -0.403 -2.638 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.826 -2.052 -4.122 1.00 0.00 C ATOM 0 H VAL A 70 2.437 -0.466 -6.214 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.200 -0.765 -5.254 1.00 0.00 H new ATOM 0 HB VAL A 70 2.394 0.016 -3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.284 -0.749 -1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.437 0.649 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.233 -0.988 -2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.418 -2.398 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.908 -2.636 -4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.399 -2.176 -5.041 1.00 0.00 H new ATOM 1135 N LEU A 71 1.041 2.277 -4.970 1.00 0.00 N ATOM 1136 CA LEU A 71 0.635 3.690 -4.776 1.00 0.00 C ATOM 1137 C LEU A 71 -0.396 4.034 -5.840 1.00 0.00 C ATOM 1138 O LEU A 71 -1.386 4.663 -5.569 1.00 0.00 O ATOM 1139 CB LEU A 71 1.847 4.594 -4.949 1.00 0.00 C ATOM 1140 CG LEU A 71 1.405 6.059 -4.941 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.211 6.529 -3.498 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.478 6.917 -5.615 1.00 0.00 C ATOM 0 H LEU A 71 2.030 2.133 -5.174 1.00 0.00 H new ATOM 0 HA LEU A 71 0.220 3.830 -3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.563 4.416 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.354 4.363 -5.886 1.00 0.00 H new ATOM 0 HG LEU A 71 0.464 6.157 -5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.896 7.573 -3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.448 5.918 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.151 6.432 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.165 7.961 -5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.418 6.817 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.617 6.584 -6.644 1.00 0.00 H new ATOM 1154 N GLN A 72 -0.167 3.617 -7.053 1.00 0.00 N ATOM 1155 CA GLN A 72 -1.141 3.911 -8.140 1.00 0.00 C ATOM 1156 C GLN A 72 -2.518 3.418 -7.710 1.00 0.00 C ATOM 1157 O GLN A 72 -3.530 3.992 -8.048 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.679 3.206 -9.435 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.717 2.185 -9.931 1.00 0.00 C ATOM 1160 CD GLN A 72 -1.177 1.468 -11.169 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -1.340 1.939 -12.277 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -0.536 0.341 -11.027 1.00 0.00 N ATOM 0 H GLN A 72 0.654 3.084 -7.339 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.196 4.983 -8.331 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.502 3.951 -10.211 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.270 2.701 -9.255 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.935 1.462 -9.145 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.653 2.689 -10.169 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.399 -0.054 -10.097 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.171 -0.145 -11.846 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.554 2.348 -6.980 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.847 1.799 -6.528 1.00 0.00 C ATOM 1173 C VAL A 73 -4.368 2.624 -5.352 1.00 0.00 C ATOM 1174 O VAL A 73 -5.557 2.785 -5.178 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.630 0.357 -6.096 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.881 -0.177 -5.399 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.301 -0.486 -7.334 1.00 0.00 C ATOM 0 H VAL A 73 -1.733 1.826 -6.675 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.579 1.838 -7.335 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.801 0.303 -5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.715 -1.210 -5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.095 0.431 -4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.727 -0.133 -6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.143 -1.523 -7.037 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.129 -0.433 -8.041 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.396 -0.102 -7.806 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.494 3.141 -4.533 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.968 3.950 -3.370 1.00 0.00 C ATOM 1189 C PHE A 74 -4.495 5.309 -3.859 1.00 0.00 C ATOM 1190 O PHE A 74 -5.467 5.836 -3.348 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.811 4.167 -2.389 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.844 3.090 -1.335 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.778 3.158 -0.296 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.947 2.018 -1.401 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.814 2.155 0.678 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.982 1.016 -0.426 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.916 1.085 0.614 1.00 0.00 C ATOM 0 H PHE A 74 -2.482 3.041 -4.615 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.773 3.416 -2.866 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.859 4.143 -2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.892 5.150 -1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.471 3.985 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.228 1.964 -2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.536 2.207 1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.289 0.189 -0.476 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.943 0.312 1.367 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.868 5.872 -4.853 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.312 7.180 -5.389 1.00 0.00 C ATOM 1209 C ARG A 75 -5.500 6.952 -6.305 1.00 0.00 C ATOM 1210 O ARG A 75 -6.442 7.708 -6.317 1.00 0.00 O ATOM 1211 CB ARG A 75 -3.181 7.804 -6.193 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.058 8.243 -5.252 1.00 0.00 C ATOM 1213 CD ARG A 75 -0.733 8.275 -6.018 1.00 0.00 C ATOM 1214 NE ARG A 75 -0.664 9.511 -6.851 1.00 0.00 N ATOM 1215 CZ ARG A 75 -1.740 9.974 -7.429 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -2.512 10.814 -6.795 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -2.044 9.595 -8.641 1.00 0.00 N ATOM 0 H ARG A 75 -3.055 5.472 -5.321 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.589 7.843 -4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.800 7.086 -6.919 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.552 8.661 -6.756 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.277 9.229 -4.842 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.986 7.556 -4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.103 8.249 -5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.647 7.392 -6.652 1.00 0.00 H new ATOM 0 HE ARG A 75 0.226 9.996 -6.969 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.275 11.109 -5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.352 11.175 -7.247 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.441 8.938 -9.136 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.884 9.956 -9.093 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.453 5.896 -7.062 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.576 5.567 -7.976 1.00 0.00 C ATOM 1233 C GLU A 76 -7.818 5.375 -7.117 1.00 0.00 C ATOM 1234 O GLU A 76 -8.866 5.931 -7.378 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.250 4.265 -8.697 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.554 4.554 -10.028 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.575 4.480 -11.165 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.207 3.445 -11.301 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.708 5.459 -11.880 1.00 0.00 O ATOM 0 H GLU A 76 -4.674 5.238 -7.086 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.736 6.356 -8.711 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.608 3.645 -8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.165 3.700 -8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.093 5.541 -10.003 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.754 3.833 -10.196 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.689 4.609 -6.065 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.832 4.405 -5.155 1.00 0.00 C ATOM 1248 C ALA A 77 -9.174 5.771 -4.580 1.00 0.00 C ATOM 1249 O ALA A 77 -10.322 6.145 -4.463 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.446 3.440 -4.030 1.00 0.00 C ATOM 0 H ALA A 77 -6.834 4.118 -5.804 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.683 3.974 -5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.298 3.297 -3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.155 2.481 -4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.610 3.854 -3.466 1.00 0.00 H new ATOM 1256 N LYS A 78 -8.169 6.546 -4.265 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.436 7.911 -3.755 1.00 0.00 C ATOM 1258 C LYS A 78 -9.296 8.614 -4.796 1.00 0.00 C ATOM 1259 O LYS A 78 -10.129 9.446 -4.498 1.00 0.00 O ATOM 1260 CB LYS A 78 -7.116 8.658 -3.627 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.085 9.440 -2.313 1.00 0.00 C ATOM 1262 CD LYS A 78 -8.088 10.593 -2.378 1.00 0.00 C ATOM 1263 CE LYS A 78 -7.379 11.862 -2.855 1.00 0.00 C ATOM 1264 NZ LYS A 78 -6.877 12.623 -1.676 1.00 0.00 N ATOM 0 H LYS A 78 -7.184 6.290 -4.340 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.932 7.879 -2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.285 7.954 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.991 9.339 -4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.327 8.780 -1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.082 9.827 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.903 10.342 -3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.531 10.759 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.550 11.603 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.066 12.479 -3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.395 13.486 -1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.677 12.882 -1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.208 12.033 -1.141 1.00 0.00 H new ATOM 1278 N ALA A 79 -9.077 8.259 -6.029 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.835 8.853 -7.148 1.00 0.00 C ATOM 1280 C ALA A 79 -11.263 8.317 -7.117 1.00 0.00 C ATOM 1281 O ALA A 79 -12.213 9.012 -7.418 1.00 0.00 O ATOM 1282 CB ALA A 79 -9.157 8.445 -8.456 1.00 0.00 C ATOM 0 H ALA A 79 -8.385 7.564 -6.309 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.857 9.940 -7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.702 8.874 -9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.131 8.812 -8.464 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.155 7.358 -8.541 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.412 7.078 -6.745 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.758 6.462 -6.675 1.00 0.00 C ATOM 1290 C GLU A 80 -13.666 7.306 -5.778 1.00 0.00 C ATOM 1291 O GLU A 80 -14.874 7.182 -5.806 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.620 5.055 -6.089 1.00 0.00 C ATOM 1293 CG GLU A 80 -12.320 4.065 -7.211 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.529 3.961 -8.142 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -13.692 4.841 -8.971 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -14.272 3.002 -8.010 1.00 0.00 O ATOM 0 H GLU A 80 -10.644 6.459 -6.483 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.196 6.410 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.821 5.035 -5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.539 4.772 -5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.444 4.390 -7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.085 3.086 -6.793 1.00 0.00 H new ATOM 1303 N GLY A 81 -13.091 8.158 -4.974 1.00 0.00 N ATOM 1304 CA GLY A 81 -13.913 9.004 -4.066 1.00 0.00 C ATOM 1305 C GLY A 81 -13.582 8.646 -2.617 1.00 0.00 C ATOM 1306 O GLY A 81 -14.205 9.120 -1.689 1.00 0.00 O ATOM 0 H GLY A 81 -12.084 8.304 -4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.711 10.059 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.974 8.845 -4.260 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.601 7.806 -2.419 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.220 7.407 -1.039 1.00 0.00 C ATOM 1312 C CYS A 82 -11.356 8.502 -0.412 1.00 0.00 C ATOM 1313 O CYS A 82 -10.823 9.352 -1.097 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.426 6.103 -1.100 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.569 4.700 -1.139 1.00 0.00 S ATOM 0 H CYS A 82 -12.046 7.378 -3.160 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.116 7.265 -0.435 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.791 6.093 -1.986 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.768 6.025 -0.235 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.261 3.863 -0.193 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.215 8.493 0.886 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.389 9.537 1.549 1.00 0.00 C ATOM 1323 C ASP A 83 -9.060 8.932 2.018 1.00 0.00 C ATOM 1324 O ASP A 83 -8.757 8.907 3.195 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.153 10.097 2.749 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.509 11.408 3.201 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.505 11.784 2.619 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.031 12.015 4.121 1.00 0.00 O ATOM 0 H ASP A 83 -11.636 7.808 1.513 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.182 10.339 0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.196 10.266 2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.146 9.376 3.566 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.261 8.456 1.101 1.00 0.00 N ATOM 1334 CA ILE A 84 -6.945 7.866 1.482 1.00 0.00 C ATOM 1335 C ILE A 84 -5.870 8.951 1.363 1.00 0.00 C ATOM 1336 O ILE A 84 -5.266 9.125 0.323 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.606 6.723 0.529 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.550 5.559 0.779 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.165 6.262 0.755 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -8.083 5.074 -0.562 1.00 0.00 C ATOM 0 H ILE A 84 -8.464 8.450 0.101 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.989 7.487 2.503 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.714 7.072 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.029 4.752 1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.372 5.870 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.932 5.446 0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.484 7.094 0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.050 5.917 1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.763 4.237 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.616 5.886 -1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.252 4.751 -1.189 1.00 0.00 H new ATOM 1352 N THR A 85 -5.628 9.687 2.410 1.00 0.00 N ATOM 1353 CA THR A 85 -4.596 10.761 2.342 1.00 0.00 C ATOM 1354 C THR A 85 -3.253 10.158 1.926 1.00 0.00 C ATOM 1355 O THR A 85 -2.554 9.567 2.723 1.00 0.00 O ATOM 1356 CB THR A 85 -4.454 11.421 3.716 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.602 12.217 3.977 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.203 12.303 3.735 1.00 0.00 C ATOM 0 H THR A 85 -6.099 9.593 3.310 1.00 0.00 H new ATOM 0 HA THR A 85 -4.900 11.508 1.609 1.00 0.00 H new ATOM 0 HB THR A 85 -4.363 10.651 4.482 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.514 12.639 4.857 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.103 12.772 4.714 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.323 11.691 3.535 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.290 13.075 2.970 1.00 0.00 H new ATOM 1366 N ILE A 86 -2.885 10.308 0.683 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.585 9.747 0.221 1.00 0.00 C ATOM 1368 C ILE A 86 -0.447 10.639 0.736 1.00 0.00 C ATOM 1369 O ILE A 86 -0.291 11.768 0.315 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.591 9.666 -1.322 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -1.334 8.221 -1.745 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.516 10.562 -1.944 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.611 7.409 -1.550 1.00 0.00 C ATOM 0 H ILE A 86 -3.428 10.794 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.435 8.741 0.613 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.564 10.009 -1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.021 8.185 -2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.523 7.795 -1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.554 10.476 -3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.694 11.598 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.467 10.251 -1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.435 6.376 -1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.903 7.437 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.409 7.833 -2.160 1.00 0.00 H new ATOM 1385 N ILE A 87 0.342 10.142 1.648 1.00 0.00 N ATOM 1386 CA ILE A 87 1.460 10.963 2.190 1.00 0.00 C ATOM 1387 C ILE A 87 2.792 10.426 1.661 1.00 0.00 C ATOM 1388 O ILE A 87 3.333 9.466 2.173 1.00 0.00 O ATOM 1389 CB ILE A 87 1.441 10.893 3.720 1.00 0.00 C ATOM 1390 CG1 ILE A 87 0.292 11.751 4.253 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.766 11.416 4.279 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.459 10.980 5.341 1.00 0.00 C ATOM 0 H ILE A 87 0.261 9.204 2.041 1.00 0.00 H new ATOM 0 HA ILE A 87 1.343 11.999 1.874 1.00 0.00 H new ATOM 0 HB ILE A 87 1.302 9.858 4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.680 12.686 4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.388 12.012 3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.747 11.364 5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.586 10.806 3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.909 12.451 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.278 11.591 5.721 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.859 10.057 4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.225 10.742 6.156 1.00 0.00 H new ATOM 1404 N LEU A 88 3.324 11.040 0.640 1.00 0.00 N ATOM 1405 CA LEU A 88 4.620 10.568 0.077 1.00 0.00 C ATOM 1406 C LEU A 88 5.763 11.390 0.675 1.00 0.00 C ATOM 1407 O LEU A 88 5.859 12.583 0.464 1.00 0.00 O ATOM 1408 CB LEU A 88 4.609 10.741 -1.443 1.00 0.00 C ATOM 1409 CG LEU A 88 4.351 9.389 -2.110 1.00 0.00 C ATOM 1410 CD1 LEU A 88 2.905 9.332 -2.607 1.00 0.00 C ATOM 1411 CD2 LEU A 88 5.303 9.216 -3.295 1.00 0.00 C ATOM 0 H LEU A 88 2.917 11.849 0.171 1.00 0.00 H new ATOM 0 HA LEU A 88 4.761 9.515 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.837 11.454 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.562 11.148 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 88 4.519 8.590 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.721 8.368 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.225 9.456 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.737 10.131 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.120 8.253 -3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.135 10.015 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.334 9.257 -2.943 1.00 0.00 H new ATOM 1423 N SER A 89 6.630 10.764 1.422 1.00 0.00 N ATOM 1424 CA SER A 89 7.765 11.511 2.033 1.00 0.00 C ATOM 1425 C SER A 89 9.087 10.868 1.610 1.00 0.00 C ATOM 1426 O SER A 89 9.824 10.444 2.485 1.00 0.00 O ATOM 1427 CB SER A 89 7.642 11.469 3.556 1.00 0.00 C ATOM 1428 OG SER A 89 6.745 10.429 3.926 1.00 0.00 O ATOM 1429 OXT SER A 89 9.341 10.811 0.418 1.00 0.00 O ATOM 0 H SER A 89 6.601 9.767 1.636 1.00 0.00 H new ATOM 0 HA SER A 89 7.741 12.547 1.695 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.620 11.299 4.007 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.281 12.427 3.930 1.00 0.00 H new ATOM 0 HG SER A 89 6.541 10.498 4.882 1.00 0.00 H new TER 1435 SER A 89