USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 899 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 12 SER OG : rot -170:sc= 0 USER MOD Set 1.2: A 99 LYS NZ :NH3+ 154:sc=-0.00581 (180deg=-0.285) USER MOD Set 2.1: A 44 CYS SG : rot 73:sc= -0.642 USER MOD Set 2.2: A 68 ASN : amide:sc= -3.65! C(o=-4.3!,f=-5.2!) USER MOD Set 3.1: A 29 ASN : amide:sc= 0 X(o=0,f=0.044) USER MOD Set 3.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 25 TYR OH : rot -142:sc= 0.13 USER MOD Set 4.2: A 48 HIS : no HD1:sc= -2.69! K(o=-2.6!,f=-3.4) USER MOD Set 5.1: A 21 GLN : amide:sc= -0.231 X(o=0.53,f=0.29) USER MOD Set 5.2: A 50 TYR OH : rot 29:sc= 0.758 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0794 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 36:sc= 0.997 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -155:sc= 0.678 USER MOD Single : A 19 GLN : amide:sc= -0.517 K(o=-0.52,f=-1.1) USER MOD Single : A 22 THR OG1 : rot -92:sc= 1.1 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.407 USER MOD Single : A 35 MET CE :methyl -168:sc=-0.00351 (180deg=-0.181) USER MOD Single : A 36 SER OG : rot 70:sc= -0.924 USER MOD Single : A 38 LYS NZ :NH3+ -146:sc= -0.282 (180deg=-1.57!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 64 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.4) USER MOD Single : A 67 LYS NZ :NH3+ -130:sc= -1.06 (180deg=-2.95!) USER MOD Single : A 69 ASN : amide:sc= -2.15 K(o=-2.1,f=-5.1!) USER MOD Single : A 70 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.3) USER MOD Single : A 78 LYS NZ :NH3+ -152:sc= -0.237 (180deg=-1.03) USER MOD Single : A 83 SER OG : rot 21:sc= 0.251 USER MOD Single : A 86 MET CE :methyl -149:sc= -0.0922 (180deg=-0.736) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 180:sc= -0.0289 (180deg=-0.0289) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -168:sc= -0.0165 (180deg=-0.239) USER MOD Single : A 104 MET CE :methyl -128:sc= 0 (180deg=-1.09) USER MOD Single : A 105 TYR OH : rot 141:sc= 0.425 USER MOD Single : A 107 THR OG1 : rot 78:sc= 1.13 USER MOD Single : A 108 GLN : amide:sc= -0.938 X(o=-0.94,f=-0.87) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -167:sc= 0 (180deg=-0.0795) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot -125:sc= 0.51 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.791 -27.121 4.270 1.00 0.00 N ATOM 2 CA GLY A 1 -8.501 -26.215 3.387 1.00 0.00 C ATOM 3 C GLY A 1 -7.572 -25.254 2.672 1.00 0.00 C ATOM 4 O GLY A 1 -7.264 -24.179 3.188 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.471 -27.757 4.734 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.112 -27.683 3.718 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.280 -26.573 4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.058 -26.793 2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.231 -25.648 3.964 1.00 0.00 H new ATOM 8 N SER A 2 -7.122 -25.642 1.483 1.00 0.00 N ATOM 9 CA SER A 2 -6.217 -24.809 0.700 1.00 0.00 C ATOM 10 C SER A 2 -6.130 -25.307 -0.740 1.00 0.00 C ATOM 11 O SER A 2 -6.516 -26.436 -1.042 1.00 0.00 O ATOM 12 CB SER A 2 -4.825 -24.796 1.332 1.00 0.00 C ATOM 13 OG SER A 2 -4.265 -26.098 1.360 1.00 0.00 O ATOM 0 H SER A 2 -7.369 -26.527 1.041 1.00 0.00 H new ATOM 0 HA SER A 2 -6.613 -23.794 0.692 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.173 -24.128 0.769 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.886 -24.401 2.346 1.00 0.00 H new ATOM 0 HG SER A 2 -3.374 -26.062 1.767 1.00 0.00 H new ATOM 19 N SER A 3 -5.620 -24.456 -1.624 1.00 0.00 N ATOM 20 CA SER A 3 -5.485 -24.807 -3.033 1.00 0.00 C ATOM 21 C SER A 3 -4.155 -24.309 -3.592 1.00 0.00 C ATOM 22 O SER A 3 -3.553 -23.380 -3.056 1.00 0.00 O ATOM 23 CB SER A 3 -6.643 -24.218 -3.840 1.00 0.00 C ATOM 24 OG SER A 3 -6.393 -24.309 -5.232 1.00 0.00 O ATOM 0 H SER A 3 -5.293 -23.519 -1.390 1.00 0.00 H new ATOM 0 HA SER A 3 -5.510 -25.894 -3.115 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.565 -24.746 -3.598 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.791 -23.175 -3.561 1.00 0.00 H new ATOM 0 HG SER A 3 -7.149 -23.927 -5.726 1.00 0.00 H new ATOM 30 N GLY A 4 -3.703 -24.936 -4.674 1.00 0.00 N ATOM 31 CA GLY A 4 -2.448 -24.544 -5.288 1.00 0.00 C ATOM 32 C GLY A 4 -1.246 -24.936 -4.453 1.00 0.00 C ATOM 33 O GLY A 4 -0.850 -24.208 -3.542 1.00 0.00 O ATOM 0 H GLY A 4 -4.183 -25.708 -5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.369 -25.006 -6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.444 -23.465 -5.441 1.00 0.00 H new ATOM 37 N SER A 5 -0.664 -26.091 -4.761 1.00 0.00 N ATOM 38 CA SER A 5 0.497 -26.582 -4.028 1.00 0.00 C ATOM 39 C SER A 5 1.766 -25.865 -4.477 1.00 0.00 C ATOM 40 O SER A 5 2.422 -25.186 -3.687 1.00 0.00 O ATOM 41 CB SER A 5 0.652 -28.091 -4.227 1.00 0.00 C ATOM 42 OG SER A 5 1.707 -28.605 -3.433 1.00 0.00 O ATOM 0 H SER A 5 -0.978 -26.704 -5.513 1.00 0.00 H new ATOM 0 HA SER A 5 0.340 -26.377 -2.969 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.280 -28.593 -3.967 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.847 -28.304 -5.278 1.00 0.00 H new ATOM 0 HG SER A 5 1.784 -29.571 -3.577 1.00 0.00 H new ATOM 48 N SER A 6 2.106 -26.021 -5.753 1.00 0.00 N ATOM 49 CA SER A 6 3.299 -25.392 -6.308 1.00 0.00 C ATOM 50 C SER A 6 2.944 -24.092 -7.023 1.00 0.00 C ATOM 51 O SER A 6 1.993 -24.037 -7.801 1.00 0.00 O ATOM 52 CB SER A 6 3.999 -26.346 -7.278 1.00 0.00 C ATOM 53 OG SER A 6 5.065 -25.698 -7.950 1.00 0.00 O ATOM 0 H SER A 6 1.573 -26.577 -6.421 1.00 0.00 H new ATOM 0 HA SER A 6 3.975 -25.161 -5.485 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.380 -27.209 -6.733 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.280 -26.721 -8.006 1.00 0.00 H new ATOM 0 HG SER A 6 5.497 -26.329 -8.563 1.00 0.00 H new ATOM 59 N GLY A 7 3.718 -23.045 -6.752 1.00 0.00 N ATOM 60 CA GLY A 7 3.471 -21.758 -7.377 1.00 0.00 C ATOM 61 C GLY A 7 4.750 -21.069 -7.810 1.00 0.00 C ATOM 62 O GLY A 7 5.840 -21.623 -7.672 1.00 0.00 O ATOM 0 H GLY A 7 4.511 -23.065 -6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.825 -21.897 -8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.934 -21.116 -6.679 1.00 0.00 H new ATOM 66 N VAL A 8 4.617 -19.856 -8.337 1.00 0.00 N ATOM 67 CA VAL A 8 5.770 -19.089 -8.792 1.00 0.00 C ATOM 68 C VAL A 8 6.160 -18.025 -7.772 1.00 0.00 C ATOM 69 O VAL A 8 6.447 -16.883 -8.131 1.00 0.00 O ATOM 70 CB VAL A 8 5.494 -18.410 -10.147 1.00 0.00 C ATOM 71 CG1 VAL A 8 4.617 -17.182 -9.959 1.00 0.00 C ATOM 72 CG2 VAL A 8 6.800 -18.043 -10.834 1.00 0.00 C ATOM 0 H VAL A 8 3.721 -19.383 -8.459 1.00 0.00 H new ATOM 0 HA VAL A 8 6.593 -19.794 -8.909 1.00 0.00 H new ATOM 0 HB VAL A 8 4.960 -19.114 -10.785 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.432 -16.715 -10.927 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.668 -17.478 -9.512 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.121 -16.472 -9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.586 -17.564 -11.790 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.363 -17.356 -10.202 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.388 -18.945 -11.003 1.00 0.00 H new ATOM 82 N ALA A 9 6.168 -18.407 -6.500 1.00 0.00 N ATOM 83 CA ALA A 9 6.525 -17.486 -5.428 1.00 0.00 C ATOM 84 C ALA A 9 7.725 -16.629 -5.817 1.00 0.00 C ATOM 85 O ALA A 9 8.854 -17.117 -5.880 1.00 0.00 O ATOM 86 CB ALA A 9 6.816 -18.254 -4.147 1.00 0.00 C ATOM 0 H ALA A 9 5.931 -19.348 -6.186 1.00 0.00 H new ATOM 0 HA ALA A 9 5.678 -16.822 -5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.081 -17.554 -3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.931 -18.818 -3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.645 -18.942 -4.315 1.00 0.00 H new ATOM 92 N ARG A 10 7.473 -15.351 -6.078 1.00 0.00 N ATOM 93 CA ARG A 10 8.533 -14.426 -6.464 1.00 0.00 C ATOM 94 C ARG A 10 8.232 -13.016 -5.965 1.00 0.00 C ATOM 95 O ARG A 10 7.072 -12.625 -5.840 1.00 0.00 O ATOM 96 CB ARG A 10 8.702 -14.416 -7.984 1.00 0.00 C ATOM 97 CG ARG A 10 7.521 -13.808 -8.724 1.00 0.00 C ATOM 98 CD ARG A 10 7.687 -13.926 -10.231 1.00 0.00 C ATOM 99 NE ARG A 10 6.835 -12.984 -10.951 1.00 0.00 N ATOM 100 CZ ARG A 10 7.092 -12.553 -12.181 1.00 0.00 C ATOM 101 NH1 ARG A 10 8.170 -12.978 -12.824 1.00 0.00 N ATOM 102 NH2 ARG A 10 6.268 -11.695 -12.770 1.00 0.00 N ATOM 0 H ARG A 10 6.544 -14.932 -6.029 1.00 0.00 H new ATOM 0 HA ARG A 10 9.462 -14.765 -6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.604 -13.859 -8.237 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.850 -15.438 -8.331 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.602 -14.308 -8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.419 -12.758 -8.449 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.729 -13.748 -10.496 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.448 -14.943 -10.543 1.00 0.00 H new ATOM 0 HE ARG A 10 5.997 -12.638 -10.484 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.805 -13.638 -12.375 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.365 -12.645 -13.768 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.437 -11.366 -12.278 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.466 -11.364 -13.714 1.00 0.00 H new ATOM 116 N SER A 11 9.286 -12.258 -5.680 1.00 0.00 N ATOM 117 CA SER A 11 9.135 -10.892 -5.190 1.00 0.00 C ATOM 118 C SER A 11 9.227 -9.891 -6.337 1.00 0.00 C ATOM 119 O SER A 11 10.307 -9.638 -6.871 1.00 0.00 O ATOM 120 CB SER A 11 10.205 -10.583 -4.141 1.00 0.00 C ATOM 121 OG SER A 11 11.504 -10.638 -4.706 1.00 0.00 O ATOM 0 H SER A 11 10.253 -12.566 -5.780 1.00 0.00 H new ATOM 0 HA SER A 11 8.150 -10.803 -4.731 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.030 -9.593 -3.719 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.131 -11.297 -3.321 1.00 0.00 H new ATOM 0 HG SER A 11 11.477 -10.293 -5.623 1.00 0.00 H new ATOM 127 N SER A 12 8.085 -9.323 -6.712 1.00 0.00 N ATOM 128 CA SER A 12 8.034 -8.352 -7.798 1.00 0.00 C ATOM 129 C SER A 12 8.757 -7.066 -7.411 1.00 0.00 C ATOM 130 O SER A 12 8.763 -6.668 -6.246 1.00 0.00 O ATOM 131 CB SER A 12 6.581 -8.042 -8.166 1.00 0.00 C ATOM 132 OG SER A 12 6.049 -9.037 -9.022 1.00 0.00 O ATOM 0 H SER A 12 7.182 -9.519 -6.279 1.00 0.00 H new ATOM 0 HA SER A 12 8.536 -8.785 -8.663 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.979 -7.978 -7.260 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.526 -7.070 -8.655 1.00 0.00 H new ATOM 0 HG SER A 12 5.182 -8.741 -9.369 1.00 0.00 H new ATOM 138 N LYS A 13 9.369 -6.418 -8.397 1.00 0.00 N ATOM 139 CA LYS A 13 10.096 -5.176 -8.163 1.00 0.00 C ATOM 140 C LYS A 13 9.352 -4.289 -7.170 1.00 0.00 C ATOM 141 O LYS A 13 9.912 -3.868 -6.158 1.00 0.00 O ATOM 142 CB LYS A 13 10.300 -4.425 -9.481 1.00 0.00 C ATOM 143 CG LYS A 13 11.179 -3.193 -9.348 1.00 0.00 C ATOM 144 CD LYS A 13 11.659 -2.702 -10.704 1.00 0.00 C ATOM 145 CE LYS A 13 10.633 -1.792 -11.362 1.00 0.00 C ATOM 146 NZ LYS A 13 11.139 -1.218 -12.639 1.00 0.00 N ATOM 0 H LYS A 13 9.376 -6.733 -9.367 1.00 0.00 H new ATOM 0 HA LYS A 13 11.069 -5.427 -7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.745 -5.102 -10.210 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.328 -4.127 -9.874 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.622 -2.400 -8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.038 -3.424 -8.719 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.600 -2.165 -10.586 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.858 -3.556 -11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.719 -2.354 -11.553 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.373 -0.984 -10.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.411 -0.604 -13.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.997 -0.661 -12.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.363 -1.988 -13.301 1.00 0.00 H new ATOM 160 N LEU A 14 8.086 -4.011 -7.464 1.00 0.00 N ATOM 161 CA LEU A 14 7.265 -3.176 -6.596 1.00 0.00 C ATOM 162 C LEU A 14 7.200 -3.754 -5.186 1.00 0.00 C ATOM 163 O LEU A 14 7.512 -3.072 -4.209 1.00 0.00 O ATOM 164 CB LEU A 14 5.853 -3.043 -7.170 1.00 0.00 C ATOM 165 CG LEU A 14 4.802 -2.441 -6.236 1.00 0.00 C ATOM 166 CD1 LEU A 14 5.077 -0.963 -6.005 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.405 -2.644 -6.804 1.00 0.00 C ATOM 0 H LEU A 14 7.607 -4.352 -8.297 1.00 0.00 H new ATOM 0 HA LEU A 14 7.724 -2.189 -6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.904 -2.430 -8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.513 -4.032 -7.478 1.00 0.00 H new ATOM 0 HG LEU A 14 4.860 -2.954 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.319 -0.552 -5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.062 -0.842 -5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.048 -0.434 -6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.670 -2.209 -6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.334 -2.158 -7.777 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.209 -3.710 -6.916 1.00 0.00 H new ATOM 179 N LEU A 15 6.796 -5.015 -5.087 1.00 0.00 N ATOM 180 CA LEU A 15 6.692 -5.687 -3.796 1.00 0.00 C ATOM 181 C LEU A 15 7.884 -5.345 -2.908 1.00 0.00 C ATOM 182 O LEU A 15 7.731 -4.716 -1.862 1.00 0.00 O ATOM 183 CB LEU A 15 6.606 -7.201 -3.993 1.00 0.00 C ATOM 184 CG LEU A 15 6.721 -8.050 -2.726 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.668 -7.637 -1.710 1.00 0.00 C ATOM 186 CD2 LEU A 15 6.589 -9.529 -3.061 1.00 0.00 C ATOM 0 H LEU A 15 6.535 -5.594 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 15 5.784 -5.339 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.656 -7.431 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.395 -7.503 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 15 7.705 -7.883 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.765 -8.252 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.808 -6.589 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.675 -7.774 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.673 -10.118 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.619 -9.712 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.380 -9.817 -3.753 1.00 0.00 H new ATOM 198 N GLY A 16 9.073 -5.763 -3.334 1.00 0.00 N ATOM 199 CA GLY A 16 10.274 -5.490 -2.566 1.00 0.00 C ATOM 200 C GLY A 16 10.230 -4.137 -1.883 1.00 0.00 C ATOM 201 O GLY A 16 10.265 -4.053 -0.656 1.00 0.00 O ATOM 0 H GLY A 16 9.225 -6.285 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.406 -6.269 -1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.141 -5.533 -3.225 1.00 0.00 H new ATOM 205 N TRP A 17 10.156 -3.077 -2.679 1.00 0.00 N ATOM 206 CA TRP A 17 10.110 -1.721 -2.143 1.00 0.00 C ATOM 207 C TRP A 17 9.226 -1.656 -0.903 1.00 0.00 C ATOM 208 O TRP A 17 9.655 -1.189 0.153 1.00 0.00 O ATOM 209 CB TRP A 17 9.593 -0.748 -3.205 1.00 0.00 C ATOM 210 CG TRP A 17 9.647 0.686 -2.773 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.737 1.509 -2.801 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.567 1.465 -2.248 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.398 2.753 -2.325 1.00 0.00 N ATOM 214 CE2 TRP A 17 9.073 2.752 -1.980 1.00 0.00 C ATOM 215 CE3 TRP A 17 7.221 1.201 -1.980 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.279 3.769 -1.456 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.435 2.211 -1.460 1.00 0.00 C ATOM 218 CH2 TRP A 17 6.965 3.482 -1.203 1.00 0.00 C ATOM 0 H TRP A 17 10.127 -3.130 -3.697 1.00 0.00 H new ATOM 0 HA TRP A 17 11.123 -1.434 -1.860 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.181 -0.868 -4.115 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.564 -1.006 -3.454 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.720 1.224 -3.146 1.00 0.00 H new ATOM 0 HE1 TRP A 17 11.031 3.548 -2.242 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.803 0.225 -2.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.686 4.749 -1.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.394 2.017 -1.248 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.324 4.251 -0.797 1.00 0.00 H new ATOM 229 N CYS A 18 7.990 -2.125 -1.037 1.00 0.00 N ATOM 230 CA CYS A 18 7.046 -2.120 0.075 1.00 0.00 C ATOM 231 C CYS A 18 7.564 -2.965 1.234 1.00 0.00 C ATOM 232 O CYS A 18 7.465 -2.570 2.395 1.00 0.00 O ATOM 233 CB CYS A 18 5.683 -2.642 -0.384 1.00 0.00 C ATOM 234 SG CYS A 18 4.995 -1.761 -1.805 1.00 0.00 S ATOM 0 H CYS A 18 7.619 -2.513 -1.904 1.00 0.00 H new ATOM 0 HA CYS A 18 6.936 -1.092 0.421 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.777 -3.698 -0.636 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.981 -2.573 0.447 1.00 0.00 H new ATOM 0 HG CYS A 18 3.699 -1.868 -1.796 1.00 0.00 H new ATOM 240 N GLN A 19 8.116 -4.130 0.909 1.00 0.00 N ATOM 241 CA GLN A 19 8.647 -5.031 1.924 1.00 0.00 C ATOM 242 C GLN A 19 9.703 -4.332 2.775 1.00 0.00 C ATOM 243 O GLN A 19 9.827 -4.599 3.970 1.00 0.00 O ATOM 244 CB GLN A 19 9.248 -6.276 1.267 1.00 0.00 C ATOM 245 CG GLN A 19 8.216 -7.167 0.595 1.00 0.00 C ATOM 246 CD GLN A 19 8.615 -8.629 0.601 1.00 0.00 C ATOM 247 OE1 GLN A 19 9.800 -8.961 0.627 1.00 0.00 O ATOM 248 NE2 GLN A 19 7.624 -9.513 0.577 1.00 0.00 N ATOM 0 H GLN A 19 8.207 -4.471 -0.048 1.00 0.00 H new ATOM 0 HA GLN A 19 7.824 -5.331 2.573 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.985 -5.966 0.527 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.779 -6.855 2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.258 -7.054 1.103 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.072 -6.838 -0.434 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.656 -9.193 0.556 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.831 -10.512 0.580 1.00 0.00 H new ATOM 257 N ARG A 20 10.460 -3.436 2.151 1.00 0.00 N ATOM 258 CA ARG A 20 11.506 -2.700 2.851 1.00 0.00 C ATOM 259 C ARG A 20 10.928 -1.481 3.564 1.00 0.00 C ATOM 260 O ARG A 20 11.205 -1.251 4.741 1.00 0.00 O ATOM 261 CB ARG A 20 12.594 -2.261 1.869 1.00 0.00 C ATOM 262 CG ARG A 20 13.310 -3.420 1.195 1.00 0.00 C ATOM 263 CD ARG A 20 14.730 -3.044 0.801 1.00 0.00 C ATOM 264 NE ARG A 20 15.524 -2.623 1.952 1.00 0.00 N ATOM 265 CZ ARG A 20 16.835 -2.411 1.902 1.00 0.00 C ATOM 266 NH1 ARG A 20 17.495 -2.580 0.765 1.00 0.00 N ATOM 267 NH2 ARG A 20 17.488 -2.029 2.992 1.00 0.00 N ATOM 0 H ARG A 20 10.369 -3.202 1.162 1.00 0.00 H new ATOM 0 HA ARG A 20 11.945 -3.362 3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.146 -1.627 1.104 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.326 -1.652 2.399 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.333 -4.276 1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.754 -3.727 0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.211 -3.896 0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.701 -2.239 0.066 1.00 0.00 H new ATOM 0 HE ARG A 20 15.047 -2.484 2.843 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.997 -2.874 -0.075 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.501 -2.416 0.730 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.984 -1.898 3.869 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.494 -1.866 2.953 1.00 0.00 H new ATOM 281 N GLN A 21 10.125 -0.705 2.843 1.00 0.00 N ATOM 282 CA GLN A 21 9.510 0.490 3.408 1.00 0.00 C ATOM 283 C GLN A 21 8.606 0.134 4.584 1.00 0.00 C ATOM 284 O GLN A 21 8.787 0.635 5.694 1.00 0.00 O ATOM 285 CB GLN A 21 8.705 1.229 2.337 1.00 0.00 C ATOM 286 CG GLN A 21 9.558 1.773 1.202 1.00 0.00 C ATOM 287 CD GLN A 21 10.948 2.172 1.657 1.00 0.00 C ATOM 288 OE1 GLN A 21 11.111 3.092 2.458 1.00 0.00 O ATOM 289 NE2 GLN A 21 11.960 1.481 1.145 1.00 0.00 N ATOM 0 H GLN A 21 9.885 -0.882 1.868 1.00 0.00 H new ATOM 0 HA GLN A 21 10.306 1.141 3.770 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.956 0.552 1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.167 2.054 2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.638 1.019 0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.062 2.638 0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.779 0.726 0.484 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.918 1.706 1.413 1.00 0.00 H new ATOM 298 N THR A 22 7.633 -0.736 4.334 1.00 0.00 N ATOM 299 CA THR A 22 6.700 -1.158 5.371 1.00 0.00 C ATOM 300 C THR A 22 7.437 -1.767 6.559 1.00 0.00 C ATOM 301 O THR A 22 6.941 -1.747 7.685 1.00 0.00 O ATOM 302 CB THR A 22 5.686 -2.184 4.831 1.00 0.00 C ATOM 303 OG1 THR A 22 6.365 -3.378 4.425 1.00 0.00 O ATOM 304 CG2 THR A 22 4.911 -1.611 3.654 1.00 0.00 C ATOM 0 H THR A 22 7.471 -1.162 3.422 1.00 0.00 H new ATOM 0 HA THR A 22 6.165 -0.266 5.697 1.00 0.00 H new ATOM 0 HB THR A 22 4.982 -2.420 5.629 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.591 -3.318 3.473 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.201 -2.354 3.290 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.372 -0.719 3.973 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.604 -1.349 2.855 1.00 0.00 H new ATOM 312 N ASP A 23 8.623 -2.306 6.300 1.00 0.00 N ATOM 313 CA ASP A 23 9.430 -2.918 7.348 1.00 0.00 C ATOM 314 C ASP A 23 9.606 -1.965 8.526 1.00 0.00 C ATOM 315 O ASP A 23 10.126 -0.860 8.371 1.00 0.00 O ATOM 316 CB ASP A 23 10.798 -3.325 6.797 1.00 0.00 C ATOM 317 CG ASP A 23 11.567 -4.215 7.755 1.00 0.00 C ATOM 318 OD1 ASP A 23 11.287 -5.431 7.788 1.00 0.00 O ATOM 319 OD2 ASP A 23 12.447 -3.694 8.472 1.00 0.00 O ATOM 0 H ASP A 23 9.047 -2.331 5.373 1.00 0.00 H new ATOM 0 HA ASP A 23 8.909 -3.809 7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.664 -3.846 5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.383 -2.430 6.588 1.00 0.00 H new ATOM 324 N GLY A 24 9.167 -2.399 9.704 1.00 0.00 N ATOM 325 CA GLY A 24 9.284 -1.571 10.890 1.00 0.00 C ATOM 326 C GLY A 24 7.974 -1.450 11.643 1.00 0.00 C ATOM 327 O GLY A 24 7.965 -1.256 12.859 1.00 0.00 O ATOM 0 H GLY A 24 8.733 -3.309 9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.042 -1.992 11.550 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.628 -0.577 10.603 1.00 0.00 H new ATOM 331 N TYR A 25 6.865 -1.562 10.921 1.00 0.00 N ATOM 332 CA TYR A 25 5.544 -1.459 11.528 1.00 0.00 C ATOM 333 C TYR A 25 5.208 -2.720 12.319 1.00 0.00 C ATOM 334 O TYR A 25 5.983 -3.676 12.342 1.00 0.00 O ATOM 335 CB TYR A 25 4.482 -1.222 10.452 1.00 0.00 C ATOM 336 CG TYR A 25 4.396 0.217 9.995 1.00 0.00 C ATOM 337 CD1 TYR A 25 5.334 0.745 9.117 1.00 0.00 C ATOM 338 CD2 TYR A 25 3.374 1.047 10.439 1.00 0.00 C ATOM 339 CE1 TYR A 25 5.259 2.059 8.697 1.00 0.00 C ATOM 340 CE2 TYR A 25 3.291 2.362 10.024 1.00 0.00 C ATOM 341 CZ TYR A 25 4.236 2.864 9.153 1.00 0.00 C ATOM 342 OH TYR A 25 4.157 4.173 8.736 1.00 0.00 O ATOM 0 H TYR A 25 6.855 -1.724 9.914 1.00 0.00 H new ATOM 0 HA TYR A 25 5.553 -0.612 12.214 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.700 -1.855 9.592 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.510 -1.531 10.838 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.136 0.118 8.756 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.632 0.657 11.120 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.998 2.454 8.015 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.491 2.994 10.380 1.00 0.00 H new ATOM 0 HH TYR A 25 3.856 4.736 9.480 1.00 0.00 H new ATOM 352 N ALA A 26 4.047 -2.713 12.966 1.00 0.00 N ATOM 353 CA ALA A 26 3.607 -3.856 13.756 1.00 0.00 C ATOM 354 C ALA A 26 2.579 -4.686 12.995 1.00 0.00 C ATOM 355 O ALA A 26 1.623 -4.149 12.436 1.00 0.00 O ATOM 356 CB ALA A 26 3.031 -3.388 15.084 1.00 0.00 C ATOM 0 H ALA A 26 3.395 -1.929 12.958 1.00 0.00 H new ATOM 0 HA ALA A 26 4.474 -4.488 13.950 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.706 -4.252 15.664 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.794 -2.844 15.640 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.179 -2.733 14.901 1.00 0.00 H new ATOM 362 N GLY A 27 2.782 -6.000 12.976 1.00 0.00 N ATOM 363 CA GLY A 27 1.865 -6.883 12.280 1.00 0.00 C ATOM 364 C GLY A 27 1.648 -6.472 10.837 1.00 0.00 C ATOM 365 O GLY A 27 0.599 -6.750 10.256 1.00 0.00 O ATOM 0 H GLY A 27 3.566 -6.469 13.431 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.252 -7.901 12.310 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.907 -6.891 12.800 1.00 0.00 H new ATOM 369 N VAL A 28 2.642 -5.807 10.257 1.00 0.00 N ATOM 370 CA VAL A 28 2.554 -5.357 8.873 1.00 0.00 C ATOM 371 C VAL A 28 3.612 -6.032 8.007 1.00 0.00 C ATOM 372 O VAL A 28 4.603 -5.412 7.624 1.00 0.00 O ATOM 373 CB VAL A 28 2.721 -3.829 8.769 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.881 -3.407 7.316 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.538 -3.120 9.411 1.00 0.00 C ATOM 0 H VAL A 28 3.517 -5.568 10.724 1.00 0.00 H new ATOM 0 HA VAL A 28 1.563 -5.633 8.513 1.00 0.00 H new ATOM 0 HB VAL A 28 3.624 -3.542 9.307 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.998 -2.325 7.262 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.762 -3.888 6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.998 -3.705 6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.672 -2.041 9.329 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.619 -3.411 8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.474 -3.399 10.463 1.00 0.00 H new ATOM 385 N ASN A 29 3.393 -7.307 7.702 1.00 0.00 N ATOM 386 CA ASN A 29 4.328 -8.068 6.881 1.00 0.00 C ATOM 387 C ASN A 29 3.785 -8.252 5.467 1.00 0.00 C ATOM 388 O ASN A 29 2.884 -9.059 5.237 1.00 0.00 O ATOM 389 CB ASN A 29 4.603 -9.432 7.516 1.00 0.00 C ATOM 390 CG ASN A 29 5.740 -10.169 6.834 1.00 0.00 C ATOM 391 OD1 ASN A 29 6.902 -9.775 6.939 1.00 0.00 O ATOM 392 ND2 ASN A 29 5.409 -11.245 6.129 1.00 0.00 N ATOM 0 H ASN A 29 2.577 -7.835 8.011 1.00 0.00 H new ATOM 0 HA ASN A 29 5.261 -7.508 6.822 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.842 -9.297 8.571 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.700 -10.040 7.469 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.131 -11.781 5.647 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.433 -11.535 6.069 1.00 0.00 H new ATOM 399 N VAL A 30 4.340 -7.498 4.523 1.00 0.00 N ATOM 400 CA VAL A 30 3.913 -7.579 3.131 1.00 0.00 C ATOM 401 C VAL A 30 4.500 -8.809 2.447 1.00 0.00 C ATOM 402 O VAL A 30 5.674 -8.826 2.076 1.00 0.00 O ATOM 403 CB VAL A 30 4.326 -6.321 2.344 1.00 0.00 C ATOM 404 CG1 VAL A 30 3.981 -6.477 0.871 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.659 -5.085 2.928 1.00 0.00 C ATOM 0 H VAL A 30 5.086 -6.824 4.697 1.00 0.00 H new ATOM 0 HA VAL A 30 2.826 -7.654 3.137 1.00 0.00 H new ATOM 0 HB VAL A 30 5.406 -6.198 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.280 -5.579 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.509 -7.339 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.907 -6.625 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.962 -4.205 2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.576 -5.196 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.960 -4.966 3.969 1.00 0.00 H new ATOM 415 N THR A 31 3.675 -9.838 2.282 1.00 0.00 N ATOM 416 CA THR A 31 4.111 -11.073 1.643 1.00 0.00 C ATOM 417 C THR A 31 3.635 -11.141 0.196 1.00 0.00 C ATOM 418 O THR A 31 4.312 -11.705 -0.664 1.00 0.00 O ATOM 419 CB THR A 31 3.595 -12.311 2.401 1.00 0.00 C ATOM 420 OG1 THR A 31 3.732 -12.113 3.812 1.00 0.00 O ATOM 421 CG2 THR A 31 4.357 -13.559 1.981 1.00 0.00 C ATOM 0 H THR A 31 2.700 -9.840 2.582 1.00 0.00 H new ATOM 0 HA THR A 31 5.201 -11.072 1.664 1.00 0.00 H new ATOM 0 HB THR A 31 2.542 -12.448 2.155 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.400 -12.904 4.287 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.975 -14.420 2.529 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.226 -13.723 0.911 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.417 -13.430 2.201 1.00 0.00 H new ATOM 429 N ASP A 32 2.468 -10.564 -0.065 1.00 0.00 N ATOM 430 CA ASP A 32 1.902 -10.558 -1.409 1.00 0.00 C ATOM 431 C ASP A 32 1.289 -9.200 -1.735 1.00 0.00 C ATOM 432 O ASP A 32 1.201 -8.324 -0.873 1.00 0.00 O ATOM 433 CB ASP A 32 0.844 -11.654 -1.545 1.00 0.00 C ATOM 434 CG ASP A 32 0.747 -12.194 -2.959 1.00 0.00 C ATOM 435 OD1 ASP A 32 1.256 -11.527 -3.884 1.00 0.00 O ATOM 436 OD2 ASP A 32 0.164 -13.283 -3.139 1.00 0.00 O ATOM 0 H ASP A 32 1.895 -10.094 0.636 1.00 0.00 H new ATOM 0 HA ASP A 32 2.708 -10.752 -2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.081 -12.470 -0.863 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.126 -11.258 -1.243 1.00 0.00 H new ATOM 441 N LEU A 33 0.868 -9.030 -2.983 1.00 0.00 N ATOM 442 CA LEU A 33 0.265 -7.777 -3.424 1.00 0.00 C ATOM 443 C LEU A 33 -1.216 -7.967 -3.736 1.00 0.00 C ATOM 444 O LEU A 33 -1.743 -7.381 -4.683 1.00 0.00 O ATOM 445 CB LEU A 33 0.993 -7.243 -4.659 1.00 0.00 C ATOM 446 CG LEU A 33 2.520 -7.323 -4.623 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.080 -7.451 -6.031 1.00 0.00 C ATOM 448 CD2 LEU A 33 3.101 -6.102 -3.925 1.00 0.00 C ATOM 0 H LEU A 33 0.933 -9.744 -3.708 1.00 0.00 H new ATOM 0 HA LEU A 33 0.358 -7.053 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.640 -7.794 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.707 -6.201 -4.803 1.00 0.00 H new ATOM 0 HG LEU A 33 2.806 -8.210 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.168 -7.507 -5.986 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.689 -8.355 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.785 -6.583 -6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.188 -6.175 -3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.806 -5.201 -4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.725 -6.054 -2.903 1.00 0.00 H new ATOM 460 N THR A 34 -1.885 -8.787 -2.931 1.00 0.00 N ATOM 461 CA THR A 34 -3.306 -9.053 -3.120 1.00 0.00 C ATOM 462 C THR A 34 -4.068 -8.925 -1.806 1.00 0.00 C ATOM 463 O THR A 34 -4.778 -7.945 -1.583 1.00 0.00 O ATOM 464 CB THR A 34 -3.541 -10.459 -3.702 1.00 0.00 C ATOM 465 OG1 THR A 34 -2.858 -11.438 -2.911 1.00 0.00 O ATOM 466 CG2 THR A 34 -3.058 -10.537 -5.143 1.00 0.00 C ATOM 0 H THR A 34 -1.465 -9.278 -2.142 1.00 0.00 H new ATOM 0 HA THR A 34 -3.676 -8.309 -3.826 1.00 0.00 H new ATOM 0 HB THR A 34 -4.612 -10.661 -3.683 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.014 -12.329 -3.287 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.235 -11.540 -5.532 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.601 -9.812 -5.749 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.991 -10.316 -5.182 1.00 0.00 H new ATOM 474 N MET A 35 -3.916 -9.921 -0.940 1.00 0.00 N ATOM 475 CA MET A 35 -4.590 -9.917 0.354 1.00 0.00 C ATOM 476 C MET A 35 -3.779 -9.142 1.387 1.00 0.00 C ATOM 477 O MET A 35 -4.339 -8.530 2.297 1.00 0.00 O ATOM 478 CB MET A 35 -4.819 -11.351 0.837 1.00 0.00 C ATOM 479 CG MET A 35 -3.533 -12.138 1.032 1.00 0.00 C ATOM 480 SD MET A 35 -3.834 -13.859 1.478 1.00 0.00 S ATOM 481 CE MET A 35 -4.469 -13.671 3.143 1.00 0.00 C ATOM 0 H MET A 35 -3.333 -10.741 -1.110 1.00 0.00 H new ATOM 0 HA MET A 35 -5.555 -9.424 0.233 1.00 0.00 H new ATOM 0 HB2 MET A 35 -5.366 -11.326 1.779 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.449 -11.872 0.116 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.946 -12.102 0.114 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.936 -11.664 1.811 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.502 -14.645 3.632 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.818 -13.003 3.707 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.474 -13.251 3.104 1.00 0.00 H new ATOM 491 N SER A 36 -2.459 -9.173 1.241 1.00 0.00 N ATOM 492 CA SER A 36 -1.571 -8.477 2.165 1.00 0.00 C ATOM 493 C SER A 36 -2.012 -7.029 2.355 1.00 0.00 C ATOM 494 O SER A 36 -1.741 -6.417 3.388 1.00 0.00 O ATOM 495 CB SER A 36 -0.130 -8.520 1.651 1.00 0.00 C ATOM 496 OG SER A 36 0.795 -8.510 2.724 1.00 0.00 O ATOM 0 H SER A 36 -1.980 -9.673 0.492 1.00 0.00 H new ATOM 0 HA SER A 36 -1.621 -8.983 3.129 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.018 -9.416 1.048 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.053 -7.664 1.001 1.00 0.00 H new ATOM 0 HG SER A 36 0.751 -9.364 3.202 1.00 0.00 H new ATOM 502 N TRP A 37 -2.693 -6.488 1.351 1.00 0.00 N ATOM 503 CA TRP A 37 -3.172 -5.112 1.407 1.00 0.00 C ATOM 504 C TRP A 37 -4.656 -5.066 1.754 1.00 0.00 C ATOM 505 O TRP A 37 -5.115 -4.154 2.442 1.00 0.00 O ATOM 506 CB TRP A 37 -2.926 -4.410 0.070 1.00 0.00 C ATOM 507 CG TRP A 37 -1.491 -4.439 -0.361 1.00 0.00 C ATOM 508 CD1 TRP A 37 -0.804 -5.513 -0.852 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.567 -3.346 -0.338 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.491 -5.153 -1.135 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.662 -3.829 -0.829 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.658 -2.006 0.049 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.788 -3.018 -0.943 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.461 -1.203 -0.064 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.670 -1.710 -0.557 1.00 0.00 C ATOM 0 H TRP A 37 -2.926 -6.981 0.489 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.619 -4.592 2.189 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.538 -4.882 -0.698 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.254 -3.373 0.146 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.218 -6.500 -0.996 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.209 -5.772 -1.512 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.586 -1.605 0.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.721 -3.407 -1.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.402 -0.166 0.233 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.526 -1.056 -0.634 1.00 0.00 H new ATOM 526 N LYS A 38 -5.402 -6.055 1.273 1.00 0.00 N ATOM 527 CA LYS A 38 -6.835 -6.128 1.534 1.00 0.00 C ATOM 528 C LYS A 38 -7.160 -5.623 2.936 1.00 0.00 C ATOM 529 O LYS A 38 -8.157 -4.932 3.142 1.00 0.00 O ATOM 530 CB LYS A 38 -7.331 -7.567 1.371 1.00 0.00 C ATOM 531 CG LYS A 38 -7.720 -7.919 -0.054 1.00 0.00 C ATOM 532 CD LYS A 38 -8.407 -9.272 -0.127 1.00 0.00 C ATOM 533 CE LYS A 38 -9.906 -9.149 0.093 1.00 0.00 C ATOM 534 NZ LYS A 38 -10.256 -9.136 1.540 1.00 0.00 N ATOM 0 H LYS A 38 -5.038 -6.817 0.701 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.343 -5.490 0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.551 -8.251 1.705 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.191 -7.722 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.384 -7.151 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.830 -7.927 -0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.217 -9.725 -1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.982 -9.938 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.268 -8.234 -0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.414 -9.980 -0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.170 -9.611 1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.520 -9.635 2.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.322 -8.153 1.872 1.00 0.00 H new ATOM 548 N SER A 39 -6.311 -5.973 3.897 1.00 0.00 N ATOM 549 CA SER A 39 -6.509 -5.556 5.281 1.00 0.00 C ATOM 550 C SER A 39 -6.616 -4.038 5.381 1.00 0.00 C ATOM 551 O SER A 39 -7.626 -3.504 5.839 1.00 0.00 O ATOM 552 CB SER A 39 -5.358 -6.057 6.156 1.00 0.00 C ATOM 553 OG SER A 39 -5.602 -5.783 7.525 1.00 0.00 O ATOM 0 H SER A 39 -5.480 -6.544 3.743 1.00 0.00 H new ATOM 0 HA SER A 39 -7.443 -5.992 5.636 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.229 -7.130 6.014 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.428 -5.581 5.847 1.00 0.00 H new ATOM 0 HG SER A 39 -4.853 -6.114 8.063 1.00 0.00 H new ATOM 559 N GLY A 40 -5.566 -3.347 4.949 1.00 0.00 N ATOM 560 CA GLY A 40 -5.560 -1.896 4.998 1.00 0.00 C ATOM 561 C GLY A 40 -4.331 -1.344 5.691 1.00 0.00 C ATOM 562 O GLY A 40 -3.753 -0.351 5.248 1.00 0.00 O ATOM 0 H GLY A 40 -4.719 -3.766 4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.609 -1.501 3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.453 -1.550 5.518 1.00 0.00 H new ATOM 566 N LEU A 41 -3.930 -1.987 6.782 1.00 0.00 N ATOM 567 CA LEU A 41 -2.761 -1.553 7.540 1.00 0.00 C ATOM 568 C LEU A 41 -1.620 -1.163 6.605 1.00 0.00 C ATOM 569 O LEU A 41 -1.250 0.007 6.516 1.00 0.00 O ATOM 570 CB LEU A 41 -2.302 -2.663 8.487 1.00 0.00 C ATOM 571 CG LEU A 41 -3.245 -2.989 9.646 1.00 0.00 C ATOM 572 CD1 LEU A 41 -2.709 -4.158 10.458 1.00 0.00 C ATOM 573 CD2 LEU A 41 -3.442 -1.767 10.532 1.00 0.00 C ATOM 0 H LEU A 41 -4.397 -2.811 7.162 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.042 -0.678 8.125 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.149 -3.571 7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.333 -2.383 8.901 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.213 -3.274 9.233 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.393 -4.375 11.278 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.620 -5.035 9.817 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.729 -3.902 10.861 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.116 -2.017 11.352 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.480 -1.452 10.936 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.871 -0.956 9.943 1.00 0.00 H new ATOM 585 N ALA A 42 -1.069 -2.152 5.908 1.00 0.00 N ATOM 586 CA ALA A 42 0.026 -1.911 4.976 1.00 0.00 C ATOM 587 C ALA A 42 -0.171 -0.599 4.224 1.00 0.00 C ATOM 588 O ALA A 42 0.562 0.367 4.438 1.00 0.00 O ATOM 589 CB ALA A 42 0.150 -3.070 3.998 1.00 0.00 C ATOM 0 H ALA A 42 -1.363 -3.127 5.971 1.00 0.00 H new ATOM 0 HA ALA A 42 0.949 -1.834 5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.971 -2.877 3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.346 -3.991 4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.779 -3.174 3.437 1.00 0.00 H new ATOM 595 N LEU A 43 -1.164 -0.572 3.342 1.00 0.00 N ATOM 596 CA LEU A 43 -1.457 0.622 2.557 1.00 0.00 C ATOM 597 C LEU A 43 -1.382 1.875 3.423 1.00 0.00 C ATOM 598 O LEU A 43 -0.877 2.912 2.991 1.00 0.00 O ATOM 599 CB LEU A 43 -2.843 0.510 1.921 1.00 0.00 C ATOM 600 CG LEU A 43 -3.220 1.616 0.934 1.00 0.00 C ATOM 601 CD1 LEU A 43 -2.155 1.756 -0.143 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.579 1.334 0.310 1.00 0.00 C ATOM 0 H LEU A 43 -1.780 -1.363 3.153 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.708 0.702 1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.907 -0.448 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.586 0.493 2.718 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.282 2.558 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.440 2.547 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.200 2.006 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.060 0.815 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.831 2.131 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.545 0.383 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.336 1.286 1.093 1.00 0.00 H new ATOM 614 N CYS A 44 -1.886 1.772 4.648 1.00 0.00 N ATOM 615 CA CYS A 44 -1.875 2.897 5.577 1.00 0.00 C ATOM 616 C CYS A 44 -0.462 3.171 6.083 1.00 0.00 C ATOM 617 O CYS A 44 -0.107 4.312 6.376 1.00 0.00 O ATOM 618 CB CYS A 44 -2.808 2.621 6.756 1.00 0.00 C ATOM 619 SG CYS A 44 -4.538 2.383 6.289 1.00 0.00 S ATOM 0 H CYS A 44 -2.307 0.921 5.021 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.228 3.780 5.044 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.459 1.732 7.281 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.744 3.452 7.459 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.679 1.222 5.722 1.00 0.00 H new ATOM 625 N ALA A 45 0.339 2.115 6.185 1.00 0.00 N ATOM 626 CA ALA A 45 1.712 2.241 6.656 1.00 0.00 C ATOM 627 C ALA A 45 2.600 2.882 5.595 1.00 0.00 C ATOM 628 O ALA A 45 3.707 3.333 5.889 1.00 0.00 O ATOM 629 CB ALA A 45 2.262 0.879 7.053 1.00 0.00 C ATOM 0 H ALA A 45 0.060 1.163 5.948 1.00 0.00 H new ATOM 0 HA ALA A 45 1.710 2.890 7.532 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.288 0.989 7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.650 0.458 7.851 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.242 0.213 6.190 1.00 0.00 H new ATOM 635 N ILE A 46 2.107 2.919 4.362 1.00 0.00 N ATOM 636 CA ILE A 46 2.856 3.506 3.257 1.00 0.00 C ATOM 637 C ILE A 46 2.796 5.029 3.300 1.00 0.00 C ATOM 638 O ILE A 46 3.828 5.700 3.321 1.00 0.00 O ATOM 639 CB ILE A 46 2.324 3.021 1.896 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.503 1.507 1.764 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.034 3.745 0.761 1.00 0.00 C ATOM 642 CD1 ILE A 46 3.947 1.080 1.612 1.00 0.00 C ATOM 0 H ILE A 46 1.192 2.550 4.103 1.00 0.00 H new ATOM 0 HA ILE A 46 3.891 3.182 3.370 1.00 0.00 H new ATOM 0 HB ILE A 46 1.260 3.249 1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.080 1.021 2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.936 1.156 0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.647 3.391 -0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.860 4.817 0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.104 3.545 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.998 -0.005 1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.369 1.537 0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.515 1.400 2.486 1.00 0.00 H new ATOM 654 N ILE A 47 1.582 5.568 3.315 1.00 0.00 N ATOM 655 CA ILE A 47 1.387 7.012 3.359 1.00 0.00 C ATOM 656 C ILE A 47 1.972 7.606 4.636 1.00 0.00 C ATOM 657 O ILE A 47 2.645 8.637 4.602 1.00 0.00 O ATOM 658 CB ILE A 47 -0.105 7.382 3.270 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.715 6.825 1.982 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.281 8.892 3.336 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.193 6.522 2.096 1.00 0.00 C ATOM 0 H ILE A 47 0.718 5.026 3.297 1.00 0.00 H new ATOM 0 HA ILE A 47 1.907 7.428 2.496 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.626 6.938 4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.560 7.543 1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.186 5.914 1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.341 9.138 3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.122 9.264 4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.250 9.357 2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.559 6.131 1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.353 5.781 2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.734 7.435 2.344 1.00 0.00 H new ATOM 673 N HIS A 48 1.713 6.949 5.761 1.00 0.00 N ATOM 674 CA HIS A 48 2.215 7.411 7.050 1.00 0.00 C ATOM 675 C HIS A 48 3.740 7.359 7.089 1.00 0.00 C ATOM 676 O HIS A 48 4.394 8.334 7.458 1.00 0.00 O ATOM 677 CB HIS A 48 1.636 6.562 8.182 1.00 0.00 C ATOM 678 CG HIS A 48 2.036 7.030 9.547 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.325 6.933 10.028 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.309 7.602 10.536 1.00 0.00 C ATOM 681 CE1 HIS A 48 3.373 7.424 11.254 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.163 7.837 11.585 1.00 0.00 N ATOM 0 H HIS A 48 1.158 6.094 5.807 1.00 0.00 H new ATOM 0 HA HIS A 48 1.900 8.446 7.185 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.548 6.568 8.109 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.959 5.529 8.052 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.254 7.831 10.505 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.252 7.478 11.879 1.00 0.00 H new ATOM 0 HE2 HIS A 48 1.905 8.262 12.476 1.00 0.00 H new ATOM 691 N ARG A 49 4.298 6.216 6.706 1.00 0.00 N ATOM 692 CA ARG A 49 5.745 6.036 6.699 1.00 0.00 C ATOM 693 C ARG A 49 6.450 7.324 6.282 1.00 0.00 C ATOM 694 O ARG A 49 7.372 7.785 6.956 1.00 0.00 O ATOM 695 CB ARG A 49 6.135 4.899 5.754 1.00 0.00 C ATOM 696 CG ARG A 49 7.632 4.796 5.509 1.00 0.00 C ATOM 697 CD ARG A 49 8.313 3.948 6.572 1.00 0.00 C ATOM 698 NE ARG A 49 9.764 4.112 6.555 1.00 0.00 N ATOM 699 CZ ARG A 49 10.382 5.232 6.913 1.00 0.00 C ATOM 700 NH1 ARG A 49 9.678 6.282 7.314 1.00 0.00 N ATOM 701 NH2 ARG A 49 11.706 5.304 6.871 1.00 0.00 N ATOM 0 H ARG A 49 3.770 5.400 6.396 1.00 0.00 H new ATOM 0 HA ARG A 49 6.059 5.781 7.711 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.777 3.956 6.167 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.628 5.041 4.800 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.812 4.362 4.525 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.070 5.794 5.502 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.929 4.221 7.555 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.065 2.899 6.413 1.00 0.00 H new ATOM 0 HE ARG A 49 10.335 3.323 6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.660 6.231 7.348 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.155 7.141 7.588 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.251 4.499 6.563 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.179 6.165 7.146 1.00 0.00 H new ATOM 715 N TYR A 50 6.011 7.898 5.168 1.00 0.00 N ATOM 716 CA TYR A 50 6.602 9.130 4.659 1.00 0.00 C ATOM 717 C TYR A 50 5.909 10.352 5.252 1.00 0.00 C ATOM 718 O TYR A 50 6.556 11.234 5.816 1.00 0.00 O ATOM 719 CB TYR A 50 6.513 9.170 3.132 1.00 0.00 C ATOM 720 CG TYR A 50 7.409 8.164 2.446 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.090 6.811 2.441 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.574 8.564 1.805 1.00 0.00 C ATOM 723 CE1 TYR A 50 7.906 5.888 1.816 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.395 7.648 1.177 1.00 0.00 C ATOM 725 CZ TYR A 50 9.057 6.311 1.185 1.00 0.00 C ATOM 726 OH TYR A 50 9.873 5.395 0.562 1.00 0.00 O ATOM 0 H TYR A 50 5.248 7.530 4.600 1.00 0.00 H new ATOM 0 HA TYR A 50 7.651 9.150 4.956 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.481 8.989 2.832 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.774 10.171 2.787 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.189 6.476 2.934 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.843 9.610 1.797 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.644 4.840 1.822 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.297 7.977 0.682 1.00 0.00 H new ATOM 0 HH TYR A 50 9.336 4.637 0.250 1.00 0.00 H new ATOM 736 N ARG A 51 4.587 10.396 5.121 1.00 0.00 N ATOM 737 CA ARG A 51 3.804 11.510 5.644 1.00 0.00 C ATOM 738 C ARG A 51 2.753 11.018 6.635 1.00 0.00 C ATOM 739 O ARG A 51 1.660 10.594 6.259 1.00 0.00 O ATOM 740 CB ARG A 51 3.127 12.266 4.499 1.00 0.00 C ATOM 741 CG ARG A 51 4.092 12.732 3.421 1.00 0.00 C ATOM 742 CD ARG A 51 4.859 13.970 3.858 1.00 0.00 C ATOM 743 NE ARG A 51 5.221 14.818 2.726 1.00 0.00 N ATOM 744 CZ ARG A 51 6.088 15.821 2.806 1.00 0.00 C ATOM 745 NH1 ARG A 51 6.680 16.099 3.959 1.00 0.00 N ATOM 746 NH2 ARG A 51 6.365 16.547 1.730 1.00 0.00 N ATOM 0 H ARG A 51 4.036 9.674 4.658 1.00 0.00 H new ATOM 0 HA ARG A 51 4.482 12.185 6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.373 11.622 4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.604 13.132 4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.794 11.931 3.188 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.540 12.948 2.506 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.253 14.542 4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.762 13.668 4.388 1.00 0.00 H new ATOM 0 HE ARG A 51 4.784 14.630 1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.470 15.542 4.787 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.345 16.870 4.018 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.912 16.335 0.841 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.031 17.317 1.792 1.00 0.00 H new ATOM 760 N PRO A 52 3.091 11.074 7.932 1.00 0.00 N ATOM 761 CA PRO A 52 2.191 10.639 9.004 1.00 0.00 C ATOM 762 C PRO A 52 0.997 11.572 9.173 1.00 0.00 C ATOM 763 O PRO A 52 -0.043 11.176 9.700 1.00 0.00 O ATOM 764 CB PRO A 52 3.079 10.676 10.250 1.00 0.00 C ATOM 765 CG PRO A 52 4.136 11.676 9.932 1.00 0.00 C ATOM 766 CD PRO A 52 4.377 11.568 8.452 1.00 0.00 C ATOM 0 HA PRO A 52 1.759 9.659 8.801 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.510 10.968 11.133 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.510 9.697 10.458 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.815 12.682 10.203 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.048 11.471 10.492 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.643 12.531 8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.192 10.880 8.227 1.00 0.00 H new ATOM 774 N ASP A 53 1.153 12.813 8.724 1.00 0.00 N ATOM 775 CA ASP A 53 0.087 13.802 8.824 1.00 0.00 C ATOM 776 C ASP A 53 -1.112 13.398 7.972 1.00 0.00 C ATOM 777 O ASP A 53 -2.254 13.428 8.434 1.00 0.00 O ATOM 778 CB ASP A 53 0.596 15.178 8.390 1.00 0.00 C ATOM 779 CG ASP A 53 -0.453 16.260 8.548 1.00 0.00 C ATOM 780 OD1 ASP A 53 -1.632 15.995 8.231 1.00 0.00 O ATOM 781 OD2 ASP A 53 -0.096 17.372 8.990 1.00 0.00 O ATOM 0 H ASP A 53 2.008 13.157 8.287 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.231 13.852 9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.475 15.439 8.979 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.913 15.133 7.348 1.00 0.00 H new ATOM 786 N LEU A 54 -0.846 13.021 6.727 1.00 0.00 N ATOM 787 CA LEU A 54 -1.903 12.611 5.809 1.00 0.00 C ATOM 788 C LEU A 54 -2.808 11.566 6.453 1.00 0.00 C ATOM 789 O LEU A 54 -3.984 11.824 6.712 1.00 0.00 O ATOM 790 CB LEU A 54 -1.299 12.053 4.519 1.00 0.00 C ATOM 791 CG LEU A 54 -0.195 12.894 3.877 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.193 12.322 2.522 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.640 14.343 3.739 1.00 0.00 C ATOM 0 H LEU A 54 0.093 12.991 6.329 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.504 13.489 5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.898 11.061 4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.101 11.925 3.792 1.00 0.00 H new ATOM 0 HG LEU A 54 0.681 12.864 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.980 12.934 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.554 11.301 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.677 12.320 1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.158 14.927 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.531 14.392 3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.866 14.750 4.725 1.00 0.00 H new ATOM 805 N ILE A 55 -2.252 10.387 6.712 1.00 0.00 N ATOM 806 CA ILE A 55 -3.008 9.305 7.329 1.00 0.00 C ATOM 807 C ILE A 55 -2.487 8.999 8.729 1.00 0.00 C ATOM 808 O ILE A 55 -1.279 8.992 8.965 1.00 0.00 O ATOM 809 CB ILE A 55 -2.950 8.021 6.479 1.00 0.00 C ATOM 810 CG1 ILE A 55 -3.987 7.010 6.972 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.553 7.420 6.523 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.499 6.092 5.885 1.00 0.00 C ATOM 0 H ILE A 55 -1.280 10.157 6.504 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.043 9.641 7.395 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.182 8.276 5.445 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.547 6.408 7.767 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.829 7.548 7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.528 6.514 5.918 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.835 8.139 6.129 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.294 7.176 7.553 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.230 5.402 6.306 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.969 6.684 5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.667 5.527 5.464 1.00 0.00 H new ATOM 824 N ASP A 56 -3.406 8.744 9.653 1.00 0.00 N ATOM 825 CA ASP A 56 -3.040 8.434 11.030 1.00 0.00 C ATOM 826 C ASP A 56 -3.146 6.935 11.296 1.00 0.00 C ATOM 827 O ASP A 56 -4.243 6.393 11.425 1.00 0.00 O ATOM 828 CB ASP A 56 -3.936 9.201 12.004 1.00 0.00 C ATOM 829 CG ASP A 56 -3.267 9.435 13.344 1.00 0.00 C ATOM 830 OD1 ASP A 56 -3.209 8.484 14.152 1.00 0.00 O ATOM 831 OD2 ASP A 56 -2.802 10.568 13.586 1.00 0.00 O ATOM 0 H ASP A 56 -4.410 8.746 9.474 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.005 8.740 11.182 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.208 10.161 11.564 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.862 8.646 12.155 1.00 0.00 H new ATOM 836 N PHE A 57 -1.997 6.271 11.376 1.00 0.00 N ATOM 837 CA PHE A 57 -1.960 4.835 11.624 1.00 0.00 C ATOM 838 C PHE A 57 -2.299 4.525 13.079 1.00 0.00 C ATOM 839 O PHE A 57 -3.187 3.722 13.364 1.00 0.00 O ATOM 840 CB PHE A 57 -0.580 4.271 11.279 1.00 0.00 C ATOM 841 CG PHE A 57 -0.550 2.773 11.185 1.00 0.00 C ATOM 842 CD1 PHE A 57 -0.603 1.993 12.329 1.00 0.00 C ATOM 843 CD2 PHE A 57 -0.471 2.144 9.953 1.00 0.00 C ATOM 844 CE1 PHE A 57 -0.575 0.614 12.246 1.00 0.00 C ATOM 845 CE2 PHE A 57 -0.443 0.765 9.863 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.496 -0.001 11.011 1.00 0.00 C ATOM 0 H PHE A 57 -1.080 6.705 11.273 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.707 4.363 10.987 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.251 4.693 10.329 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.135 4.594 12.036 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.667 2.468 13.297 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.431 2.738 9.052 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.615 0.017 13.145 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.380 0.287 8.896 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.476 -1.079 10.944 1.00 0.00 H new ATOM 856 N ASP A 58 -1.583 5.168 13.996 1.00 0.00 N ATOM 857 CA ASP A 58 -1.807 4.963 15.422 1.00 0.00 C ATOM 858 C ASP A 58 -3.293 5.046 15.757 1.00 0.00 C ATOM 859 O ASP A 58 -3.768 4.392 16.685 1.00 0.00 O ATOM 860 CB ASP A 58 -1.030 5.998 16.236 1.00 0.00 C ATOM 861 CG ASP A 58 0.436 5.638 16.383 1.00 0.00 C ATOM 862 OD1 ASP A 58 1.173 5.736 15.380 1.00 0.00 O ATOM 863 OD2 ASP A 58 0.845 5.258 17.500 1.00 0.00 O ATOM 0 H ASP A 58 -0.843 5.835 13.777 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.450 3.966 15.680 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.115 6.972 15.755 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.479 6.090 17.225 1.00 0.00 H new ATOM 868 N SER A 59 -4.022 5.856 14.995 1.00 0.00 N ATOM 869 CA SER A 59 -5.453 6.029 15.213 1.00 0.00 C ATOM 870 C SER A 59 -6.231 4.823 14.695 1.00 0.00 C ATOM 871 O SER A 59 -7.108 4.294 15.379 1.00 0.00 O ATOM 872 CB SER A 59 -5.946 7.303 14.524 1.00 0.00 C ATOM 873 OG SER A 59 -7.360 7.387 14.559 1.00 0.00 O ATOM 0 H SER A 59 -3.644 6.403 14.221 1.00 0.00 H new ATOM 0 HA SER A 59 -5.624 6.116 16.286 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.514 8.176 15.014 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.603 7.317 13.489 1.00 0.00 H new ATOM 0 HG SER A 59 -7.650 8.210 14.114 1.00 0.00 H new ATOM 879 N LEU A 60 -5.905 4.394 13.481 1.00 0.00 N ATOM 880 CA LEU A 60 -6.572 3.250 12.869 1.00 0.00 C ATOM 881 C LEU A 60 -6.485 2.022 13.770 1.00 0.00 C ATOM 882 O LEU A 60 -5.824 2.047 14.808 1.00 0.00 O ATOM 883 CB LEU A 60 -5.950 2.941 11.506 1.00 0.00 C ATOM 884 CG LEU A 60 -6.107 4.022 10.436 1.00 0.00 C ATOM 885 CD1 LEU A 60 -5.128 3.790 9.295 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.537 4.055 9.917 1.00 0.00 C ATOM 0 H LEU A 60 -5.183 4.821 12.901 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.623 3.504 12.733 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.886 2.751 11.649 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.390 2.018 11.129 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.884 4.989 10.888 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.254 4.569 8.543 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.108 3.818 9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.319 2.816 8.844 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.630 4.830 9.156 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.789 3.088 9.482 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.218 4.271 10.740 1.00 0.00 H new ATOM 898 N ASP A 61 -7.156 0.949 13.365 1.00 0.00 N ATOM 899 CA ASP A 61 -7.152 -0.290 14.134 1.00 0.00 C ATOM 900 C ASP A 61 -7.064 -1.502 13.212 1.00 0.00 C ATOM 901 O ASP A 61 -7.809 -1.607 12.239 1.00 0.00 O ATOM 902 CB ASP A 61 -8.410 -0.382 14.999 1.00 0.00 C ATOM 903 CG ASP A 61 -8.447 -1.646 15.835 1.00 0.00 C ATOM 904 OD1 ASP A 61 -7.627 -2.551 15.577 1.00 0.00 O ATOM 905 OD2 ASP A 61 -9.297 -1.730 16.747 1.00 0.00 O ATOM 0 H ASP A 61 -7.709 0.912 12.509 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.275 -0.284 14.781 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.460 0.486 15.656 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.291 -0.348 14.358 1.00 0.00 H new ATOM 910 N GLU A 62 -6.148 -2.412 13.526 1.00 0.00 N ATOM 911 CA GLU A 62 -5.962 -3.615 12.723 1.00 0.00 C ATOM 912 C GLU A 62 -7.303 -4.264 12.396 1.00 0.00 C ATOM 913 O GLU A 62 -7.508 -4.767 11.291 1.00 0.00 O ATOM 914 CB GLU A 62 -5.066 -4.613 13.460 1.00 0.00 C ATOM 915 CG GLU A 62 -5.620 -5.048 14.807 1.00 0.00 C ATOM 916 CD GLU A 62 -4.610 -5.824 15.630 1.00 0.00 C ATOM 917 OE1 GLU A 62 -4.563 -7.065 15.495 1.00 0.00 O ATOM 918 OE2 GLU A 62 -3.867 -5.191 16.409 1.00 0.00 O ATOM 0 H GLU A 62 -5.524 -2.340 14.329 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.481 -3.326 11.789 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.925 -5.493 12.833 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.083 -4.166 13.608 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.939 -4.168 15.366 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.505 -5.664 14.650 1.00 0.00 H new ATOM 925 N GLN A 63 -8.213 -4.249 13.364 1.00 0.00 N ATOM 926 CA GLN A 63 -9.535 -4.836 13.180 1.00 0.00 C ATOM 927 C GLN A 63 -10.263 -4.181 12.011 1.00 0.00 C ATOM 928 O GLN A 63 -10.851 -4.864 11.173 1.00 0.00 O ATOM 929 CB GLN A 63 -10.363 -4.693 14.458 1.00 0.00 C ATOM 930 CG GLN A 63 -9.757 -5.400 15.659 1.00 0.00 C ATOM 931 CD GLN A 63 -10.077 -6.882 15.686 1.00 0.00 C ATOM 932 OE1 GLN A 63 -11.243 -7.276 15.736 1.00 0.00 O ATOM 933 NE2 GLN A 63 -9.042 -7.712 15.654 1.00 0.00 N ATOM 0 H GLN A 63 -8.059 -3.837 14.284 1.00 0.00 H new ATOM 0 HA GLN A 63 -9.407 -5.895 12.957 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.477 -3.634 14.690 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.362 -5.090 14.280 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.675 -5.266 15.647 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.126 -4.936 16.574 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.092 -7.342 15.613 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -9.196 -8.720 15.671 1.00 0.00 H new ATOM 942 N ASN A 64 -10.220 -2.854 11.962 1.00 0.00 N ATOM 943 CA ASN A 64 -10.878 -2.106 10.896 1.00 0.00 C ATOM 944 C ASN A 64 -10.237 -2.408 9.545 1.00 0.00 C ATOM 945 O ASN A 64 -9.066 -2.102 9.319 1.00 0.00 O ATOM 946 CB ASN A 64 -10.810 -0.605 11.181 1.00 0.00 C ATOM 947 CG ASN A 64 -11.292 -0.259 12.577 1.00 0.00 C ATOM 948 OD1 ASN A 64 -12.044 -1.016 13.191 1.00 0.00 O ATOM 949 ND2 ASN A 64 -10.862 0.891 13.083 1.00 0.00 N ATOM 0 H ASN A 64 -9.737 -2.274 12.648 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.923 -2.415 10.860 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.783 -0.261 11.058 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.415 -0.071 10.448 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.154 1.178 14.017 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.239 1.487 12.538 1.00 0.00 H new ATOM 956 N VAL A 65 -11.012 -3.011 8.650 1.00 0.00 N ATOM 957 CA VAL A 65 -10.522 -3.353 7.320 1.00 0.00 C ATOM 958 C VAL A 65 -11.066 -2.392 6.269 1.00 0.00 C ATOM 959 O VAL A 65 -10.306 -1.681 5.612 1.00 0.00 O ATOM 960 CB VAL A 65 -10.909 -4.793 6.932 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.414 -5.120 5.531 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.357 -5.784 7.946 1.00 0.00 C ATOM 0 H VAL A 65 -11.983 -3.273 8.822 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.435 -3.273 7.353 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.996 -4.872 6.935 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.697 -6.141 5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.862 -4.429 4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.329 -5.024 5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.640 -6.796 7.657 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.270 -5.706 7.977 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.765 -5.561 8.932 1.00 0.00 H new ATOM 972 N GLU A 66 -12.386 -2.376 6.117 1.00 0.00 N ATOM 973 CA GLU A 66 -13.032 -1.501 5.145 1.00 0.00 C ATOM 974 C GLU A 66 -12.677 -0.041 5.407 1.00 0.00 C ATOM 975 O GLU A 66 -12.777 0.804 4.517 1.00 0.00 O ATOM 976 CB GLU A 66 -14.550 -1.684 5.190 1.00 0.00 C ATOM 977 CG GLU A 66 -15.307 -0.720 4.293 1.00 0.00 C ATOM 978 CD GLU A 66 -16.809 -0.800 4.484 1.00 0.00 C ATOM 979 OE1 GLU A 66 -17.306 -1.893 4.827 1.00 0.00 O ATOM 980 OE2 GLU A 66 -17.487 0.230 4.291 1.00 0.00 O ATOM 0 H GLU A 66 -13.029 -2.958 6.654 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.670 -1.773 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.793 -2.706 4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.892 -1.556 6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.973 0.297 4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.065 -0.933 3.252 1.00 0.00 H new ATOM 987 N LYS A 67 -12.261 0.250 6.635 1.00 0.00 N ATOM 988 CA LYS A 67 -11.890 1.607 7.017 1.00 0.00 C ATOM 989 C LYS A 67 -10.474 1.935 6.553 1.00 0.00 C ATOM 990 O LYS A 67 -10.280 2.748 5.651 1.00 0.00 O ATOM 991 CB LYS A 67 -11.993 1.778 8.534 1.00 0.00 C ATOM 992 CG LYS A 67 -12.216 3.216 8.970 1.00 0.00 C ATOM 993 CD LYS A 67 -13.696 3.546 9.066 1.00 0.00 C ATOM 994 CE LYS A 67 -14.342 3.619 7.691 1.00 0.00 C ATOM 995 NZ LYS A 67 -14.876 2.298 7.259 1.00 0.00 N ATOM 0 H LYS A 67 -12.172 -0.437 7.384 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.581 2.296 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.813 1.163 8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.079 1.404 8.996 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.742 3.382 9.937 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.737 3.891 8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.200 2.789 9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.825 4.498 9.580 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.151 4.350 7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.610 3.970 6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.538 2.084 6.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.548 1.560 7.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.916 2.326 7.262 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.489 1.295 7.175 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.091 1.518 6.825 1.00 0.00 C ATOM 1011 C ASN A 68 -7.933 1.721 5.321 1.00 0.00 C ATOM 1012 O ASN A 68 -7.156 2.564 4.876 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.234 0.338 7.285 1.00 0.00 C ATOM 1014 CG ASN A 68 -6.729 0.509 8.705 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -5.631 1.019 8.927 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -7.530 0.081 9.673 1.00 0.00 N ATOM 0 H ASN A 68 -9.633 0.618 7.924 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.755 2.422 7.333 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.818 -0.580 7.218 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.385 0.225 6.611 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.244 0.169 10.648 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.432 -0.335 9.442 1.00 0.00 H new ATOM 1023 N ASN A 69 -8.677 0.941 4.543 1.00 0.00 N ATOM 1024 CA ASN A 69 -8.620 1.034 3.089 1.00 0.00 C ATOM 1025 C ASN A 69 -9.384 2.258 2.592 1.00 0.00 C ATOM 1026 O ASN A 69 -8.818 3.130 1.934 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.195 -0.233 2.452 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.394 -1.471 2.807 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.220 -1.587 2.455 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.028 -2.405 3.506 1.00 0.00 N ATOM 0 H ASN A 69 -9.326 0.238 4.895 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.575 1.136 2.798 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.227 -0.365 2.778 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.216 -0.115 1.369 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.541 -3.261 3.773 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.002 -2.267 3.776 1.00 0.00 H new ATOM 1037 N GLN A 70 -10.673 2.314 2.912 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.515 3.430 2.497 1.00 0.00 C ATOM 1039 C GLN A 70 -10.800 4.760 2.713 1.00 0.00 C ATOM 1040 O GLN A 70 -10.827 5.639 1.851 1.00 0.00 O ATOM 1041 CB GLN A 70 -12.834 3.416 3.270 1.00 0.00 C ATOM 1042 CG GLN A 70 -13.745 4.589 2.942 1.00 0.00 C ATOM 1043 CD GLN A 70 -14.168 4.610 1.487 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -15.309 4.287 1.155 1.00 0.00 O ATOM 1045 NE2 GLN A 70 -13.248 4.990 0.608 1.00 0.00 N ATOM 0 H GLN A 70 -11.157 1.600 3.457 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.724 3.319 1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.361 2.486 3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.619 3.421 4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.632 4.543 3.574 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.232 5.521 3.181 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.314 5.249 0.927 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.475 5.023 -0.386 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.162 4.902 3.870 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.439 6.126 4.200 1.00 0.00 C ATOM 1056 C LEU A 71 -8.340 6.401 3.180 1.00 0.00 C ATOM 1057 O LEU A 71 -8.415 7.363 2.415 1.00 0.00 O ATOM 1058 CB LEU A 71 -8.836 6.023 5.602 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.177 7.292 6.144 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -9.186 8.428 6.216 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.565 7.032 7.513 1.00 0.00 C ATOM 0 H LEU A 71 -10.131 4.185 4.595 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.147 6.955 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.623 5.723 6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.094 5.225 5.599 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.379 7.585 5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.699 9.323 6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.577 8.631 5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.006 8.145 6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.100 7.946 7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.344 6.715 8.206 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.811 6.249 7.432 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.320 5.549 3.172 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.207 5.698 2.243 1.00 0.00 C ATOM 1075 C ALA A 72 -6.700 6.084 0.853 1.00 0.00 C ATOM 1076 O ALA A 72 -6.313 7.119 0.310 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.396 4.412 2.180 1.00 0.00 C ATOM 0 H ALA A 72 -7.242 4.748 3.799 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.566 6.501 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.568 4.538 1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.004 4.180 3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.034 3.596 1.842 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.557 5.244 0.280 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.102 5.497 -1.049 1.00 0.00 C ATOM 1085 C PHE A 73 -8.549 6.949 -1.186 1.00 0.00 C ATOM 1086 O PHE A 73 -8.487 7.529 -2.270 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.280 4.560 -1.326 1.00 0.00 C ATOM 1088 CG PHE A 73 -8.875 3.125 -1.504 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -7.781 2.791 -2.286 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.588 2.108 -0.889 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.407 1.471 -2.452 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.219 0.786 -1.051 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.126 0.468 -1.833 1.00 0.00 C ATOM 0 H PHE A 73 -7.889 4.383 0.715 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.316 5.307 -1.780 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.991 4.629 -0.502 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.799 4.897 -2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.214 3.571 -2.772 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.443 2.352 -0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.553 1.224 -3.065 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.784 0.003 -0.567 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.834 -0.564 -1.960 1.00 0.00 H new ATOM 1103 N ASP A 74 -9.000 7.530 -0.080 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.458 8.915 -0.076 1.00 0.00 C ATOM 1105 C ASP A 74 -8.296 9.870 0.179 1.00 0.00 C ATOM 1106 O ASP A 74 -7.970 10.705 -0.665 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.540 9.113 0.987 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.503 10.229 0.631 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -11.168 11.042 -0.256 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -12.592 10.288 1.238 1.00 0.00 O ATOM 0 H ASP A 74 -9.058 7.064 0.825 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.878 9.136 -1.057 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.096 8.184 1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.069 9.335 1.944 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.677 9.742 1.348 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.552 10.594 1.713 1.00 0.00 C ATOM 1117 C ILE A 75 -5.550 10.703 0.568 1.00 0.00 C ATOM 1118 O ILE A 75 -5.167 11.802 0.168 1.00 0.00 O ATOM 1119 CB ILE A 75 -5.828 10.064 2.965 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -6.790 10.009 4.153 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.625 10.937 3.291 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.482 11.325 4.432 1.00 0.00 C ATOM 0 H ILE A 75 -7.935 9.057 2.058 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.961 11.581 1.930 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.475 9.053 2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.544 9.244 3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.239 9.702 5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.124 10.550 4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.931 10.929 2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.957 11.958 3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.148 11.212 5.287 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.736 12.089 4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.061 11.624 3.558 1.00 0.00 H new ATOM 1134 N ALA A 76 -5.132 9.556 0.044 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.178 9.522 -1.058 1.00 0.00 C ATOM 1136 C ALA A 76 -4.528 10.561 -2.118 1.00 0.00 C ATOM 1137 O ALA A 76 -3.856 11.584 -2.242 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.132 8.132 -1.674 1.00 0.00 C ATOM 0 H ALA A 76 -5.439 8.638 0.365 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.192 9.764 -0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.416 8.122 -2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.827 7.409 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.120 7.868 -2.051 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.582 10.290 -2.881 1.00 0.00 N ATOM 1145 CA GLU A 77 -6.019 11.202 -3.932 1.00 0.00 C ATOM 1146 C GLU A 77 -6.208 12.613 -3.384 1.00 0.00 C ATOM 1147 O GLU A 77 -5.767 13.591 -3.988 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.324 10.706 -4.558 1.00 0.00 C ATOM 1149 CG GLU A 77 -7.573 11.248 -5.956 1.00 0.00 C ATOM 1150 CD GLU A 77 -8.343 12.554 -5.947 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -9.535 12.537 -5.574 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -7.755 13.593 -6.313 1.00 0.00 O ATOM 0 H GLU A 77 -6.149 9.447 -2.791 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.245 11.230 -4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.307 9.617 -4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.157 10.989 -3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.618 11.397 -6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.126 10.509 -6.535 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.868 12.711 -2.235 1.00 0.00 N ATOM 1160 CA LYS A 78 -7.117 14.001 -1.602 1.00 0.00 C ATOM 1161 C LYS A 78 -5.868 14.875 -1.639 1.00 0.00 C ATOM 1162 O LYS A 78 -5.910 16.014 -2.105 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.572 13.804 -0.154 1.00 0.00 C ATOM 1164 CG LYS A 78 -9.055 13.507 -0.018 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.496 13.530 1.436 1.00 0.00 C ATOM 1166 CE LYS A 78 -10.973 13.872 1.565 1.00 0.00 C ATOM 1167 NZ LYS A 78 -11.288 15.202 0.974 1.00 0.00 N ATOM 0 H LYS A 78 -7.241 11.912 -1.723 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.908 14.504 -2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.004 12.986 0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.336 14.702 0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.628 14.241 -0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.273 12.530 -0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.305 12.558 1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.903 14.261 1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.568 13.105 1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.257 13.866 2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.111 15.611 1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.470 15.834 1.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.503 15.090 -0.037 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.757 14.334 -1.148 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.496 15.066 -1.126 1.00 0.00 C ATOM 1183 C GLU A 79 -2.556 14.562 -2.217 1.00 0.00 C ATOM 1184 O GLU A 79 -2.225 15.291 -3.153 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.826 14.931 0.243 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.653 15.500 1.384 1.00 0.00 C ATOM 1187 CD GLU A 79 -3.396 16.978 1.609 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -2.213 17.370 1.681 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -4.379 17.741 1.714 1.00 0.00 O ATOM 0 H GLU A 79 -4.705 13.392 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.712 16.118 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.628 13.877 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.861 15.437 0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.711 15.347 1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.428 14.952 2.299 1.00 0.00 H new ATOM 1196 N LEU A 80 -2.129 13.310 -2.089 1.00 0.00 N ATOM 1197 CA LEU A 80 -1.226 12.707 -3.063 1.00 0.00 C ATOM 1198 C LEU A 80 -1.757 12.885 -4.482 1.00 0.00 C ATOM 1199 O LEU A 80 -1.104 13.492 -5.329 1.00 0.00 O ATOM 1200 CB LEU A 80 -1.037 11.220 -2.760 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.628 10.874 -1.328 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.142 9.435 -1.244 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.446 11.831 -0.833 1.00 0.00 C ATOM 0 H LEU A 80 -2.394 12.693 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.263 13.212 -2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.969 10.702 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.281 10.825 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.503 10.979 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.145 9.207 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.941 8.762 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.719 9.303 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.724 11.569 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.322 11.760 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.062 12.851 -0.854 1.00 0.00 H new ATOM 1215 N GLY A 81 -2.949 12.352 -4.733 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.550 12.464 -6.049 1.00 0.00 C ATOM 1217 C GLY A 81 -3.716 11.119 -6.727 1.00 0.00 C ATOM 1218 O GLY A 81 -4.184 11.043 -7.864 1.00 0.00 O ATOM 0 H GLY A 81 -3.509 11.845 -4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.524 12.945 -5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.932 13.108 -6.674 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.331 10.055 -6.030 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.440 8.706 -6.573 1.00 0.00 C ATOM 1224 C ILE A 82 -4.884 8.218 -6.547 1.00 0.00 C ATOM 1225 O ILE A 82 -5.395 7.813 -5.503 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.560 7.713 -5.791 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.079 8.021 -6.019 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -2.880 6.284 -6.205 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.147 7.083 -5.285 1.00 0.00 C ATOM 0 H ILE A 82 -2.941 10.101 -5.089 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.094 8.752 -7.605 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.774 7.819 -4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.866 7.970 -7.087 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.876 9.044 -5.702 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.250 5.593 -5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.928 6.071 -5.996 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.691 6.163 -7.272 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.886 7.361 -5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.333 7.151 -4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.322 6.061 -5.620 1.00 0.00 H new ATOM 1241 N SER A 83 -5.537 8.258 -7.704 1.00 0.00 N ATOM 1242 CA SER A 83 -6.924 7.822 -7.815 1.00 0.00 C ATOM 1243 C SER A 83 -7.056 6.340 -7.479 1.00 0.00 C ATOM 1244 O SER A 83 -6.402 5.482 -8.072 1.00 0.00 O ATOM 1245 CB SER A 83 -7.453 8.085 -9.226 1.00 0.00 C ATOM 1246 OG SER A 83 -6.749 7.317 -10.186 1.00 0.00 O ATOM 0 H SER A 83 -5.128 8.588 -8.578 1.00 0.00 H new ATOM 0 HA SER A 83 -7.516 8.394 -7.100 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.515 7.844 -9.270 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.357 9.145 -9.462 1.00 0.00 H new ATOM 0 HG SER A 83 -6.320 6.555 -9.744 1.00 0.00 H new ATOM 1252 N PRO A 84 -7.922 6.030 -6.502 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.161 4.652 -6.064 1.00 0.00 C ATOM 1254 C PRO A 84 -8.900 3.829 -7.114 1.00 0.00 C ATOM 1255 O PRO A 84 -9.816 4.324 -7.772 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.026 4.822 -4.813 1.00 0.00 C ATOM 1257 CG PRO A 84 -9.706 6.135 -4.999 1.00 0.00 C ATOM 1258 CD PRO A 84 -8.735 7.001 -5.751 1.00 0.00 C ATOM 0 HA PRO A 84 -7.230 4.115 -5.886 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.749 4.012 -4.718 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.419 4.815 -3.908 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.636 6.017 -5.555 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -9.963 6.581 -4.038 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.248 7.695 -6.416 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.124 7.599 -5.075 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.497 2.572 -7.266 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.122 1.682 -8.236 1.00 0.00 C ATOM 1268 C ILE A 85 -10.437 1.124 -7.701 1.00 0.00 C ATOM 1269 O ILE A 85 -11.335 0.781 -8.469 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.193 0.511 -8.606 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -7.719 -0.212 -7.343 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -7.005 1.012 -9.413 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -6.971 -1.496 -7.626 1.00 0.00 C ATOM 0 H ILE A 85 -7.740 2.147 -6.730 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.318 2.275 -9.129 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.751 -0.196 -9.219 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.074 0.456 -6.772 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.582 -0.435 -6.716 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.358 0.173 -9.667 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.361 1.486 -10.328 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.444 1.737 -8.823 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.665 -1.954 -6.685 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.620 -2.183 -8.170 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.088 -1.278 -8.227 1.00 0.00 H new ATOM 1285 N MET A 86 -10.542 1.036 -6.379 1.00 0.00 N ATOM 1286 CA MET A 86 -11.749 0.522 -5.741 1.00 0.00 C ATOM 1287 C MET A 86 -11.987 1.206 -4.399 1.00 0.00 C ATOM 1288 O MET A 86 -11.237 2.099 -4.003 1.00 0.00 O ATOM 1289 CB MET A 86 -11.642 -0.991 -5.544 1.00 0.00 C ATOM 1290 CG MET A 86 -11.289 -1.746 -6.816 1.00 0.00 C ATOM 1291 SD MET A 86 -11.016 -3.505 -6.526 1.00 0.00 S ATOM 1292 CE MET A 86 -9.514 -3.458 -5.553 1.00 0.00 C ATOM 0 H MET A 86 -9.807 1.314 -5.729 1.00 0.00 H new ATOM 0 HA MET A 86 -12.595 0.737 -6.393 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.886 -1.198 -4.787 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.590 -1.367 -5.159 1.00 0.00 H new ATOM 0 HG2 MET A 86 -12.092 -1.622 -7.542 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.392 -1.310 -7.255 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.927 -4.356 -5.746 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.931 -2.578 -5.825 1.00 0.00 H new ATOM 0 HE3 MET A 86 -9.768 -3.411 -4.494 1.00 0.00 H new ATOM 1302 N THR A 87 -13.037 0.781 -3.701 1.00 0.00 N ATOM 1303 CA THR A 87 -13.375 1.353 -2.404 1.00 0.00 C ATOM 1304 C THR A 87 -13.254 0.313 -1.297 1.00 0.00 C ATOM 1305 O THR A 87 -13.450 -0.879 -1.527 1.00 0.00 O ATOM 1306 CB THR A 87 -14.803 1.929 -2.399 1.00 0.00 C ATOM 1307 OG1 THR A 87 -15.726 0.955 -2.900 1.00 0.00 O ATOM 1308 CG2 THR A 87 -14.881 3.191 -3.246 1.00 0.00 C ATOM 0 H THR A 87 -13.667 0.042 -4.013 1.00 0.00 H new ATOM 0 HA THR A 87 -12.666 2.160 -2.220 1.00 0.00 H new ATOM 0 HB THR A 87 -15.065 2.183 -1.372 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.632 1.328 -2.892 1.00 0.00 H new ATOM 0 HG21 THR A 87 -15.899 3.579 -3.227 1.00 0.00 H new ATOM 0 HG22 THR A 87 -14.199 3.941 -2.845 1.00 0.00 H new ATOM 0 HG23 THR A 87 -14.601 2.958 -4.273 1.00 0.00 H new ATOM 1316 N GLY A 88 -12.931 0.773 -0.091 1.00 0.00 N ATOM 1317 CA GLY A 88 -12.791 -0.131 1.035 1.00 0.00 C ATOM 1318 C GLY A 88 -13.902 -1.162 1.093 1.00 0.00 C ATOM 1319 O GLY A 88 -13.659 -2.331 1.391 1.00 0.00 O ATOM 0 H GLY A 88 -12.764 1.756 0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.830 -0.641 0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.785 0.445 1.961 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.125 -0.727 0.808 1.00 0.00 N ATOM 1324 CA LYS A 89 -16.278 -1.620 0.829 1.00 0.00 C ATOM 1325 C LYS A 89 -16.113 -2.746 -0.186 1.00 0.00 C ATOM 1326 O LYS A 89 -16.370 -3.910 0.119 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.560 -0.837 0.534 1.00 0.00 C ATOM 1328 CG LYS A 89 -18.798 -1.432 1.182 1.00 0.00 C ATOM 1329 CD LYS A 89 -19.332 -2.610 0.386 1.00 0.00 C ATOM 1330 CE LYS A 89 -20.016 -2.155 -0.894 1.00 0.00 C ATOM 1331 NZ LYS A 89 -20.896 -3.214 -1.460 1.00 0.00 N ATOM 0 H LYS A 89 -15.343 0.238 0.560 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.348 -2.059 1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.437 0.189 0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.710 -0.794 -0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.560 -1.755 2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -19.570 -0.667 1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.513 -3.286 0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.038 -3.173 0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.607 -1.262 -0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.261 -1.878 -1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -21.343 -2.865 -2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -20.328 -4.058 -1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -21.632 -3.460 -0.768 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.681 -2.392 -1.392 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.481 -3.374 -2.451 1.00 0.00 C ATOM 1347 C GLU A 90 -14.305 -4.291 -2.127 1.00 0.00 C ATOM 1348 O GLU A 90 -14.335 -5.485 -2.423 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.243 -2.673 -3.790 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.475 -1.973 -4.338 1.00 0.00 C ATOM 1351 CD GLU A 90 -16.272 -1.455 -5.749 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -15.106 -1.230 -6.135 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -17.279 -1.275 -6.466 1.00 0.00 O ATOM 0 H GLU A 90 -15.463 -1.432 -1.660 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.383 -3.981 -2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.443 -1.942 -3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.898 -3.407 -4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.317 -2.665 -4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.737 -1.141 -3.684 1.00 0.00 H new ATOM 1360 N MET A 91 -13.269 -3.722 -1.519 1.00 0.00 N ATOM 1361 CA MET A 91 -12.082 -4.487 -1.155 1.00 0.00 C ATOM 1362 C MET A 91 -12.390 -5.462 -0.022 1.00 0.00 C ATOM 1363 O MET A 91 -11.818 -6.549 0.046 1.00 0.00 O ATOM 1364 CB MET A 91 -10.950 -3.546 -0.740 1.00 0.00 C ATOM 1365 CG MET A 91 -9.686 -4.271 -0.305 1.00 0.00 C ATOM 1366 SD MET A 91 -8.350 -3.139 0.127 1.00 0.00 S ATOM 1367 CE MET A 91 -7.422 -3.111 -1.405 1.00 0.00 C ATOM 0 H MET A 91 -13.228 -2.734 -1.268 1.00 0.00 H new ATOM 0 HA MET A 91 -11.767 -5.059 -2.028 1.00 0.00 H new ATOM 0 HB2 MET A 91 -10.712 -2.887 -1.575 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.296 -2.913 0.077 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.912 -4.904 0.553 1.00 0.00 H new ATOM 0 HG3 MET A 91 -9.354 -4.929 -1.108 1.00 0.00 H new ATOM 0 HE1 MET A 91 -6.561 -2.452 -1.297 1.00 0.00 H new ATOM 0 HE2 MET A 91 -7.080 -4.119 -1.642 1.00 0.00 H new ATOM 0 HE3 MET A 91 -8.060 -2.746 -2.210 1.00 0.00 H new ATOM 1377 N ALA A 92 -13.298 -5.065 0.864 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.682 -5.904 1.992 1.00 0.00 C ATOM 1379 C ALA A 92 -14.625 -7.018 1.550 1.00 0.00 C ATOM 1380 O ALA A 92 -14.650 -8.095 2.146 1.00 0.00 O ATOM 1381 CB ALA A 92 -14.331 -5.061 3.080 1.00 0.00 C ATOM 0 H ALA A 92 -13.781 -4.168 0.822 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.780 -6.365 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.613 -5.701 3.916 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.626 -4.304 3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -15.220 -4.573 2.681 1.00 0.00 H new ATOM 1387 N SER A 93 -15.400 -6.752 0.504 1.00 0.00 N ATOM 1388 CA SER A 93 -16.348 -7.731 -0.014 1.00 0.00 C ATOM 1389 C SER A 93 -15.645 -8.749 -0.906 1.00 0.00 C ATOM 1390 O SER A 93 -15.748 -9.957 -0.690 1.00 0.00 O ATOM 1391 CB SER A 93 -17.460 -7.030 -0.799 1.00 0.00 C ATOM 1392 OG SER A 93 -18.627 -7.832 -0.856 1.00 0.00 O ATOM 0 H SER A 93 -15.390 -5.866 -0.002 1.00 0.00 H new ATOM 0 HA SER A 93 -16.787 -8.258 0.833 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.694 -6.074 -0.330 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.115 -6.813 -1.810 1.00 0.00 H new ATOM 0 HG SER A 93 -19.323 -7.362 -1.361 1.00 0.00 H new ATOM 1398 N VAL A 94 -14.929 -8.252 -1.910 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.207 -9.117 -2.836 1.00 0.00 C ATOM 1400 C VAL A 94 -13.292 -10.080 -2.087 1.00 0.00 C ATOM 1401 O VAL A 94 -12.646 -9.706 -1.110 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.366 -8.297 -3.831 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -12.227 -7.590 -3.113 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -12.835 -9.190 -4.942 1.00 0.00 C ATOM 0 H VAL A 94 -14.833 -7.255 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.956 -9.685 -3.388 1.00 0.00 H new ATOM 0 HB VAL A 94 -14.006 -7.538 -4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.644 -7.016 -3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.634 -6.918 -2.358 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.585 -8.329 -2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.243 -8.594 -5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.211 -9.973 -4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.671 -9.644 -5.475 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.242 -11.324 -2.554 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.403 -12.322 -1.917 1.00 0.00 C ATOM 1416 C GLY A 95 -10.925 -12.057 -2.127 1.00 0.00 C ATOM 1417 O GLY A 95 -10.106 -12.350 -1.257 1.00 0.00 O ATOM 0 H GLY A 95 -13.767 -11.658 -3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.617 -12.343 -0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.652 -13.307 -2.312 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.584 -11.501 -3.285 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.195 -11.199 -3.607 1.00 0.00 C ATOM 1423 C GLU A 96 -9.104 -10.296 -4.834 1.00 0.00 C ATOM 1424 O GLU A 96 -9.763 -10.518 -5.850 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.412 -12.491 -3.852 1.00 0.00 C ATOM 1426 CG GLU A 96 -6.923 -12.270 -4.060 1.00 0.00 C ATOM 1427 CD GLU A 96 -6.254 -13.434 -4.766 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -6.699 -13.787 -5.878 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -5.287 -13.991 -4.206 1.00 0.00 O ATOM 0 H GLU A 96 -11.251 -11.251 -4.015 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.759 -10.674 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.556 -13.160 -3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.822 -12.994 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.772 -11.361 -4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.444 -12.112 -3.094 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.268 -9.252 -4.739 1.00 0.00 N ATOM 1437 CA PRO A 97 -8.070 -8.294 -5.831 1.00 0.00 C ATOM 1438 C PRO A 97 -7.327 -8.907 -7.012 1.00 0.00 C ATOM 1439 O PRO A 97 -6.975 -10.087 -6.992 1.00 0.00 O ATOM 1440 CB PRO A 97 -7.230 -7.189 -5.186 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.517 -7.861 -4.064 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.450 -8.926 -3.558 1.00 0.00 C ATOM 0 HA PRO A 97 -9.017 -7.943 -6.242 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.528 -6.758 -5.900 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.858 -6.374 -4.825 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.577 -8.295 -4.404 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.273 -7.149 -3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.906 -9.797 -3.193 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.063 -8.564 -2.732 1.00 0.00 H new ATOM 1450 N ASP A 98 -7.090 -8.099 -8.040 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.386 -8.562 -9.230 1.00 0.00 C ATOM 1452 C ASP A 98 -4.905 -8.203 -9.160 1.00 0.00 C ATOM 1453 O ASP A 98 -4.543 -7.077 -8.818 1.00 0.00 O ATOM 1454 CB ASP A 98 -7.012 -7.955 -10.487 1.00 0.00 C ATOM 1455 CG ASP A 98 -6.448 -8.553 -11.761 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -6.802 -9.707 -12.083 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -5.653 -7.867 -12.437 1.00 0.00 O ATOM 0 H ASP A 98 -7.375 -7.120 -8.073 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.476 -9.647 -9.276 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.091 -8.109 -10.463 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.844 -6.878 -10.489 1.00 0.00 H new ATOM 1462 N LYS A 99 -4.052 -9.168 -9.486 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.609 -8.956 -9.460 1.00 0.00 C ATOM 1464 C LYS A 99 -2.231 -7.700 -10.240 1.00 0.00 C ATOM 1465 O LYS A 99 -1.604 -6.787 -9.700 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.884 -10.170 -10.044 1.00 0.00 C ATOM 1467 CG LYS A 99 -0.451 -10.313 -9.559 1.00 0.00 C ATOM 1468 CD LYS A 99 0.504 -9.470 -10.386 1.00 0.00 C ATOM 1469 CE LYS A 99 1.942 -9.940 -10.229 1.00 0.00 C ATOM 1470 NZ LYS A 99 2.546 -9.461 -8.955 1.00 0.00 N ATOM 0 H LYS A 99 -4.335 -10.105 -9.772 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.304 -8.824 -8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.438 -11.073 -9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.885 -10.095 -11.131 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -0.389 -10.014 -8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.151 -11.360 -9.610 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.217 -9.518 -11.436 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.426 -8.426 -10.082 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.973 -11.029 -10.259 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.535 -9.581 -11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.303 -10.112 -8.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.942 -8.509 -9.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.815 -9.427 -8.216 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.615 -7.660 -11.511 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.317 -6.516 -12.364 1.00 0.00 C ATOM 1486 C LEU A 100 -2.824 -5.221 -11.736 1.00 0.00 C ATOM 1487 O LEU A 100 -2.039 -4.400 -11.264 1.00 0.00 O ATOM 1488 CB LEU A 100 -2.947 -6.707 -13.745 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.379 -7.847 -14.590 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -3.321 -8.185 -15.735 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -1.001 -7.481 -15.122 1.00 0.00 C ATOM 0 H LEU A 100 -3.133 -8.407 -11.973 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.235 -6.446 -12.471 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.016 -6.876 -13.614 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.837 -5.778 -14.304 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.280 -8.728 -13.956 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.899 -8.999 -16.325 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.287 -8.491 -15.333 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.453 -7.308 -16.369 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.612 -8.304 -15.721 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.075 -6.586 -15.740 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.327 -7.290 -14.287 1.00 0.00 H new ATOM 1503 N SER A 101 -4.142 -5.048 -11.733 1.00 0.00 N ATOM 1504 CA SER A 101 -4.754 -3.853 -11.164 1.00 0.00 C ATOM 1505 C SER A 101 -4.015 -3.411 -9.905 1.00 0.00 C ATOM 1506 O SER A 101 -3.645 -2.245 -9.766 1.00 0.00 O ATOM 1507 CB SER A 101 -6.226 -4.113 -10.840 1.00 0.00 C ATOM 1508 OG SER A 101 -6.940 -2.897 -10.699 1.00 0.00 O ATOM 0 H SER A 101 -4.806 -5.720 -12.118 1.00 0.00 H new ATOM 0 HA SER A 101 -4.688 -3.054 -11.903 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.675 -4.712 -11.632 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.302 -4.692 -9.920 1.00 0.00 H new ATOM 0 HG SER A 101 -7.879 -3.091 -10.494 1.00 0.00 H new ATOM 1514 N MET A 102 -3.804 -4.351 -8.989 1.00 0.00 N ATOM 1515 CA MET A 102 -3.108 -4.059 -7.741 1.00 0.00 C ATOM 1516 C MET A 102 -1.726 -3.473 -8.013 1.00 0.00 C ATOM 1517 O MET A 102 -1.439 -2.336 -7.640 1.00 0.00 O ATOM 1518 CB MET A 102 -2.979 -5.328 -6.896 1.00 0.00 C ATOM 1519 CG MET A 102 -4.271 -5.730 -6.203 1.00 0.00 C ATOM 1520 SD MET A 102 -4.956 -4.407 -5.188 1.00 0.00 S ATOM 1521 CE MET A 102 -3.693 -4.259 -3.927 1.00 0.00 C ATOM 0 H MET A 102 -4.105 -5.321 -9.087 1.00 0.00 H new ATOM 0 HA MET A 102 -3.694 -3.322 -7.191 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.648 -6.148 -7.534 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.205 -5.177 -6.144 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.005 -6.024 -6.953 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.087 -6.604 -5.578 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.064 -3.638 -3.111 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.442 -5.249 -3.545 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.803 -3.800 -4.356 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.874 -4.257 -8.666 1.00 0.00 N ATOM 1532 CA VAL A 103 0.478 -3.815 -8.988 1.00 0.00 C ATOM 1533 C VAL A 103 0.468 -2.419 -9.600 1.00 0.00 C ATOM 1534 O VAL A 103 1.044 -1.483 -9.046 1.00 0.00 O ATOM 1535 CB VAL A 103 1.168 -4.787 -9.964 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.440 -4.168 -10.524 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.468 -6.109 -9.275 1.00 0.00 C ATOM 0 H VAL A 103 -1.096 -5.201 -8.982 1.00 0.00 H new ATOM 0 HA VAL A 103 1.036 -3.794 -8.052 1.00 0.00 H new ATOM 0 HB VAL A 103 0.491 -4.982 -10.795 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.914 -4.869 -11.211 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.194 -3.249 -11.056 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.125 -3.942 -9.707 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.955 -6.784 -9.979 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.127 -5.935 -8.424 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.537 -6.558 -8.927 1.00 0.00 H new ATOM 1547 N MET A 104 -0.191 -2.287 -10.747 1.00 0.00 N ATOM 1548 CA MET A 104 -0.277 -1.003 -11.434 1.00 0.00 C ATOM 1549 C MET A 104 -0.663 0.108 -10.464 1.00 0.00 C ATOM 1550 O MET A 104 0.030 1.120 -10.357 1.00 0.00 O ATOM 1551 CB MET A 104 -1.295 -1.078 -12.574 1.00 0.00 C ATOM 1552 CG MET A 104 -0.921 -2.075 -13.658 1.00 0.00 C ATOM 1553 SD MET A 104 -1.951 -1.919 -15.131 1.00 0.00 S ATOM 1554 CE MET A 104 -1.647 -3.495 -15.926 1.00 0.00 C ATOM 0 H MET A 104 -0.672 -3.052 -11.220 1.00 0.00 H new ATOM 0 HA MET A 104 0.705 -0.774 -11.848 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.268 -1.348 -12.164 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.401 -0.090 -13.022 1.00 0.00 H new ATOM 0 HG2 MET A 104 0.124 -1.932 -13.933 1.00 0.00 H new ATOM 0 HG3 MET A 104 -1.010 -3.087 -13.262 1.00 0.00 H new ATOM 0 HE1 MET A 104 -1.350 -3.329 -16.961 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.850 -4.020 -15.399 1.00 0.00 H new ATOM 0 HE3 MET A 104 -2.556 -4.096 -15.902 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.773 -0.086 -9.760 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.252 0.901 -8.800 1.00 0.00 C ATOM 1566 C TYR A 105 -1.164 1.252 -7.789 1.00 0.00 C ATOM 1567 O TYR A 105 -0.712 2.395 -7.717 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.490 0.376 -8.072 1.00 0.00 C ATOM 1569 CG TYR A 105 -3.906 1.227 -6.893 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.374 2.522 -7.076 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -3.830 0.735 -5.596 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -4.754 3.303 -6.001 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -4.209 1.508 -4.515 1.00 0.00 C ATOM 1574 CZ TYR A 105 -4.670 2.791 -4.723 1.00 0.00 C ATOM 1575 OH TYR A 105 -5.048 3.565 -3.650 1.00 0.00 O ATOM 0 H TYR A 105 -2.358 -0.918 -9.836 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.517 1.805 -9.349 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.319 0.318 -8.778 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.294 -0.639 -7.726 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.442 2.925 -8.075 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.468 -0.269 -5.430 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.115 4.308 -6.161 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -4.145 1.110 -3.513 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.518 3.008 -2.995 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.748 0.259 -7.010 1.00 0.00 N ATOM 1586 CA LEU A 106 0.288 0.460 -6.003 1.00 0.00 C ATOM 1587 C LEU A 106 1.462 1.246 -6.578 1.00 0.00 C ATOM 1588 O LEU A 106 1.921 2.222 -5.984 1.00 0.00 O ATOM 1589 CB LEU A 106 0.775 -0.888 -5.468 1.00 0.00 C ATOM 1590 CG LEU A 106 -0.179 -1.619 -4.524 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.282 -3.052 -4.303 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.287 -0.881 -3.197 1.00 0.00 C ATOM 0 H LEU A 106 -1.112 -0.693 -7.056 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.143 1.035 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.984 -1.539 -6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.719 -0.730 -4.947 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.167 -1.644 -4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.409 -3.557 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.306 -3.578 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.280 -3.050 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.970 -1.416 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.697 -0.824 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.665 0.127 -3.371 1.00 0.00 H new ATOM 1604 N THR A 107 1.943 0.816 -7.740 1.00 0.00 N ATOM 1605 CA THR A 107 3.062 1.479 -8.397 1.00 0.00 C ATOM 1606 C THR A 107 2.998 2.989 -8.200 1.00 0.00 C ATOM 1607 O THR A 107 3.991 3.619 -7.835 1.00 0.00 O ATOM 1608 CB THR A 107 3.092 1.170 -9.906 1.00 0.00 C ATOM 1609 OG1 THR A 107 3.012 -0.244 -10.118 1.00 0.00 O ATOM 1610 CG2 THR A 107 4.361 1.713 -10.544 1.00 0.00 C ATOM 0 H THR A 107 1.574 0.011 -8.246 1.00 0.00 H new ATOM 0 HA THR A 107 3.972 1.093 -7.937 1.00 0.00 H new ATOM 0 HB THR A 107 2.234 1.656 -10.371 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.086 -0.541 -9.996 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.360 1.483 -11.609 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.404 2.793 -10.406 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.230 1.253 -10.074 1.00 0.00 H new ATOM 1618 N GLN A 108 1.825 3.564 -8.444 1.00 0.00 N ATOM 1619 CA GLN A 108 1.633 5.002 -8.293 1.00 0.00 C ATOM 1620 C GLN A 108 2.288 5.507 -7.012 1.00 0.00 C ATOM 1621 O GLN A 108 2.985 6.521 -7.017 1.00 0.00 O ATOM 1622 CB GLN A 108 0.142 5.340 -8.286 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.540 5.117 -9.626 1.00 0.00 C ATOM 1624 CD GLN A 108 -1.930 5.719 -9.681 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -2.089 6.937 -9.777 1.00 0.00 O ATOM 1626 NE2 GLN A 108 -2.947 4.868 -9.622 1.00 0.00 N ATOM 0 H GLN A 108 0.994 3.057 -8.747 1.00 0.00 H new ATOM 0 HA GLN A 108 2.106 5.498 -9.140 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.356 4.733 -7.529 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.016 6.382 -7.993 1.00 0.00 H new ATOM 0 HG2 GLN A 108 0.071 5.551 -10.417 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.604 4.047 -9.823 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -2.770 3.867 -9.543 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -3.905 5.215 -9.656 1.00 0.00 H new ATOM 1635 N PHE A 109 2.059 4.793 -5.915 1.00 0.00 N ATOM 1636 CA PHE A 109 2.625 5.169 -4.625 1.00 0.00 C ATOM 1637 C PHE A 109 4.147 5.063 -4.648 1.00 0.00 C ATOM 1638 O PHE A 109 4.851 5.999 -4.268 1.00 0.00 O ATOM 1639 CB PHE A 109 2.057 4.282 -3.516 1.00 0.00 C ATOM 1640 CG PHE A 109 0.622 4.577 -3.187 1.00 0.00 C ATOM 1641 CD1 PHE A 109 -0.402 4.039 -3.951 1.00 0.00 C ATOM 1642 CD2 PHE A 109 0.296 5.392 -2.115 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -1.724 4.310 -3.651 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -1.024 5.666 -1.811 1.00 0.00 C ATOM 1645 CZ PHE A 109 -2.035 5.124 -2.579 1.00 0.00 C ATOM 0 H PHE A 109 1.485 3.950 -5.894 1.00 0.00 H new ATOM 0 HA PHE A 109 2.353 6.206 -4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.145 3.238 -3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.660 4.407 -2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.164 3.401 -4.790 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.083 5.818 -1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -2.513 3.886 -4.254 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.264 6.304 -0.973 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.067 5.336 -2.342 1.00 0.00 H new ATOM 1655 N TYR A 110 4.648 3.917 -5.096 1.00 0.00 N ATOM 1656 CA TYR A 110 6.086 3.686 -5.165 1.00 0.00 C ATOM 1657 C TYR A 110 6.775 4.784 -5.969 1.00 0.00 C ATOM 1658 O TYR A 110 7.657 5.478 -5.463 1.00 0.00 O ATOM 1659 CB TYR A 110 6.374 2.322 -5.793 1.00 0.00 C ATOM 1660 CG TYR A 110 7.693 2.261 -6.530 1.00 0.00 C ATOM 1661 CD1 TYR A 110 7.777 2.606 -7.873 1.00 0.00 C ATOM 1662 CD2 TYR A 110 8.855 1.857 -5.883 1.00 0.00 C ATOM 1663 CE1 TYR A 110 8.980 2.551 -8.551 1.00 0.00 C ATOM 1664 CE2 TYR A 110 10.062 1.801 -6.552 1.00 0.00 C ATOM 1665 CZ TYR A 110 10.120 2.149 -7.886 1.00 0.00 C ATOM 1666 OH TYR A 110 11.320 2.093 -8.556 1.00 0.00 O ATOM 0 H TYR A 110 4.079 3.133 -5.417 1.00 0.00 H new ATOM 0 HA TYR A 110 6.481 3.702 -4.149 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.369 1.563 -5.011 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.569 2.072 -6.484 1.00 0.00 H new ATOM 0 HD1 TYR A 110 6.887 2.923 -8.396 1.00 0.00 H new ATOM 0 HD2 TYR A 110 8.813 1.582 -4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.027 2.821 -9.596 1.00 0.00 H new ATOM 0 HE2 TYR A 110 10.956 1.486 -6.034 1.00 0.00 H new ATOM 0 HH TYR A 110 12.023 1.792 -7.943 1.00 0.00 H new ATOM 1676 N GLU A 111 6.365 4.936 -7.225 1.00 0.00 N ATOM 1677 CA GLU A 111 6.943 5.950 -8.099 1.00 0.00 C ATOM 1678 C GLU A 111 6.921 7.322 -7.432 1.00 0.00 C ATOM 1679 O GLU A 111 7.750 8.181 -7.728 1.00 0.00 O ATOM 1680 CB GLU A 111 6.183 6.003 -9.426 1.00 0.00 C ATOM 1681 CG GLU A 111 6.679 4.999 -10.453 1.00 0.00 C ATOM 1682 CD GLU A 111 6.422 5.446 -11.879 1.00 0.00 C ATOM 1683 OE1 GLU A 111 7.073 6.415 -12.323 1.00 0.00 O ATOM 1684 OE2 GLU A 111 5.569 4.829 -12.550 1.00 0.00 O ATOM 0 H GLU A 111 5.636 4.370 -7.659 1.00 0.00 H new ATOM 0 HA GLU A 111 7.980 5.677 -8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.125 5.823 -9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.266 7.007 -9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.748 4.841 -10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.190 4.040 -10.283 1.00 0.00 H new ATOM 1691 N MET A 112 5.965 7.518 -6.529 1.00 0.00 N ATOM 1692 CA MET A 112 5.834 8.785 -5.819 1.00 0.00 C ATOM 1693 C MET A 112 6.879 8.899 -4.713 1.00 0.00 C ATOM 1694 O MET A 112 7.462 9.962 -4.504 1.00 0.00 O ATOM 1695 CB MET A 112 4.430 8.919 -5.226 1.00 0.00 C ATOM 1696 CG MET A 112 4.183 10.256 -4.545 1.00 0.00 C ATOM 1697 SD MET A 112 3.646 11.534 -5.698 1.00 0.00 S ATOM 1698 CE MET A 112 1.871 11.297 -5.663 1.00 0.00 C ATOM 0 H MET A 112 5.271 6.816 -6.272 1.00 0.00 H new ATOM 0 HA MET A 112 5.997 9.592 -6.533 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.695 8.783 -6.019 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.271 8.118 -4.504 1.00 0.00 H new ATOM 0 HG2 MET A 112 3.427 10.130 -3.770 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.097 10.581 -4.049 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.414 11.846 -6.486 1.00 0.00 H new ATOM 0 HE2 MET A 112 1.644 10.236 -5.764 1.00 0.00 H new ATOM 0 HE3 MET A 112 1.473 11.664 -4.717 1.00 0.00 H new ATOM 1708 N PHE A 113 7.110 7.796 -4.008 1.00 0.00 N ATOM 1709 CA PHE A 113 8.084 7.773 -2.923 1.00 0.00 C ATOM 1710 C PHE A 113 9.313 6.957 -3.313 1.00 0.00 C ATOM 1711 O PHE A 113 10.041 6.460 -2.453 1.00 0.00 O ATOM 1712 CB PHE A 113 7.453 7.192 -1.656 1.00 0.00 C ATOM 1713 CG PHE A 113 6.220 7.925 -1.210 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.207 9.309 -1.144 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.074 7.230 -0.858 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.074 9.986 -0.733 1.00 0.00 C ATOM 1717 CE2 PHE A 113 3.938 7.902 -0.447 1.00 0.00 C ATOM 1718 CZ PHE A 113 3.938 9.281 -0.386 1.00 0.00 C ATOM 0 H PHE A 113 6.636 6.907 -4.169 1.00 0.00 H new ATOM 0 HA PHE A 113 8.398 8.798 -2.727 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.201 6.146 -1.832 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.188 7.211 -0.852 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.092 9.865 -1.417 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.068 6.151 -0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.077 11.065 -0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.052 7.349 -0.174 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.051 9.808 -0.067 1.00 0.00 H new ATOM 1728 N LYS A 114 9.538 6.822 -4.615 1.00 0.00 N ATOM 1729 CA LYS A 114 10.678 6.067 -5.121 1.00 0.00 C ATOM 1730 C LYS A 114 11.983 6.813 -4.861 1.00 0.00 C ATOM 1731 O LYS A 114 12.966 6.224 -4.412 1.00 0.00 O ATOM 1732 CB LYS A 114 10.518 5.806 -6.621 1.00 0.00 C ATOM 1733 CG LYS A 114 10.832 7.014 -7.486 1.00 0.00 C ATOM 1734 CD LYS A 114 10.685 6.695 -8.964 1.00 0.00 C ATOM 1735 CE LYS A 114 10.649 7.960 -9.807 1.00 0.00 C ATOM 1736 NZ LYS A 114 10.403 7.662 -11.245 1.00 0.00 N ATOM 0 H LYS A 114 8.945 7.226 -5.340 1.00 0.00 H new ATOM 0 HA LYS A 114 10.713 5.114 -4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.172 4.983 -6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.495 5.485 -6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 114 10.165 7.835 -7.222 1.00 0.00 H new ATOM 0 HG3 LYS A 114 11.849 7.352 -7.285 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.515 6.066 -9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.771 6.123 -9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 114 9.867 8.622 -9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.594 8.493 -9.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 10.386 8.550 -11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.162 7.051 -11.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 9.489 7.177 -11.348 1.00 0.00 H new ATOM 1750 N ASP A 115 11.983 8.111 -5.145 1.00 0.00 N ATOM 1751 CA ASP A 115 13.167 8.938 -4.939 1.00 0.00 C ATOM 1752 C ASP A 115 13.365 9.244 -3.458 1.00 0.00 C ATOM 1753 O ASP A 115 14.429 8.985 -2.897 1.00 0.00 O ATOM 1754 CB ASP A 115 13.049 10.241 -5.731 1.00 0.00 C ATOM 1755 CG ASP A 115 12.453 10.029 -7.109 1.00 0.00 C ATOM 1756 OD1 ASP A 115 13.189 9.578 -8.011 1.00 0.00 O ATOM 1757 OD2 ASP A 115 11.250 10.314 -7.285 1.00 0.00 O ATOM 0 H ASP A 115 11.177 8.613 -5.518 1.00 0.00 H new ATOM 0 HA ASP A 115 14.035 8.383 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.430 10.946 -5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 115 14.036 10.693 -5.831 1.00 0.00 H new ATOM 1762 N SER A 116 12.332 9.799 -2.831 1.00 0.00 N ATOM 1763 CA SER A 116 12.394 10.146 -1.416 1.00 0.00 C ATOM 1764 C SER A 116 13.179 9.097 -0.633 1.00 0.00 C ATOM 1765 O SER A 116 13.953 9.427 0.265 1.00 0.00 O ATOM 1766 CB SER A 116 10.984 10.278 -0.839 1.00 0.00 C ATOM 1767 OG SER A 116 11.023 10.507 0.559 1.00 0.00 O ATOM 0 H SER A 116 11.443 10.018 -3.281 1.00 0.00 H new ATOM 0 HA SER A 116 12.908 11.103 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 116 10.462 11.099 -1.330 1.00 0.00 H new ATOM 0 HB3 SER A 116 10.417 9.371 -1.046 1.00 0.00 H new ATOM 0 HG SER A 116 10.486 9.827 1.017 1.00 0.00 H new ATOM 1773 N GLY A 117 12.974 7.831 -0.982 1.00 0.00 N ATOM 1774 CA GLY A 117 13.669 6.752 -0.304 1.00 0.00 C ATOM 1775 C GLY A 117 15.141 6.696 -0.661 1.00 0.00 C ATOM 1776 O GLY A 117 15.562 7.155 -1.723 1.00 0.00 O ATOM 0 H GLY A 117 12.339 7.533 -1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 117 13.564 6.877 0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.199 5.803 -0.562 1.00 0.00 H new ATOM 1780 N PRO A 118 15.951 6.123 0.242 1.00 0.00 N ATOM 1781 CA PRO A 118 17.397 5.995 0.039 1.00 0.00 C ATOM 1782 C PRO A 118 17.743 4.991 -1.055 1.00 0.00 C ATOM 1783 O PRO A 118 16.858 4.457 -1.723 1.00 0.00 O ATOM 1784 CB PRO A 118 17.903 5.503 1.397 1.00 0.00 C ATOM 1785 CG PRO A 118 16.734 4.813 2.010 1.00 0.00 C ATOM 1786 CD PRO A 118 15.517 5.554 1.529 1.00 0.00 C ATOM 0 HA PRO A 118 17.848 6.933 -0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 118 18.748 4.824 1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 118 18.243 6.333 2.017 1.00 0.00 H new ATOM 0 HG2 PRO A 118 16.697 3.766 1.710 1.00 0.00 H new ATOM 0 HG3 PRO A 118 16.797 4.831 3.098 1.00 0.00 H new ATOM 0 HD2 PRO A 118 14.663 4.888 1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 118 15.216 6.332 2.231 1.00 0.00 H new ATOM 1794 N SER A 119 19.036 4.737 -1.231 1.00 0.00 N ATOM 1795 CA SER A 119 19.499 3.798 -2.247 1.00 0.00 C ATOM 1796 C SER A 119 19.164 2.363 -1.853 1.00 0.00 C ATOM 1797 O SER A 119 18.960 2.062 -0.677 1.00 0.00 O ATOM 1798 CB SER A 119 21.007 3.943 -2.456 1.00 0.00 C ATOM 1799 OG SER A 119 21.378 3.571 -3.772 1.00 0.00 O ATOM 0 H SER A 119 19.781 5.168 -0.684 1.00 0.00 H new ATOM 0 HA SER A 119 18.986 4.029 -3.181 1.00 0.00 H new ATOM 0 HB2 SER A 119 21.306 4.974 -2.269 1.00 0.00 H new ATOM 0 HB3 SER A 119 21.539 3.321 -1.736 1.00 0.00 H new ATOM 0 HG SER A 119 22.346 3.674 -3.880 1.00 0.00 H new ATOM 1805 N SER A 120 19.110 1.481 -2.845 1.00 0.00 N ATOM 1806 CA SER A 120 18.796 0.077 -2.604 1.00 0.00 C ATOM 1807 C SER A 120 19.845 -0.831 -3.239 1.00 0.00 C ATOM 1808 O SER A 120 20.047 -0.811 -4.453 1.00 0.00 O ATOM 1809 CB SER A 120 17.411 -0.260 -3.159 1.00 0.00 C ATOM 1810 OG SER A 120 17.172 -1.657 -3.120 1.00 0.00 O ATOM 0 H SER A 120 19.280 1.713 -3.824 1.00 0.00 H new ATOM 0 HA SER A 120 18.799 -0.091 -1.527 1.00 0.00 H new ATOM 0 HB2 SER A 120 16.647 0.259 -2.580 1.00 0.00 H new ATOM 0 HB3 SER A 120 17.330 0.097 -4.186 1.00 0.00 H new ATOM 0 HG SER A 120 16.280 -1.846 -3.479 1.00 0.00 H new ATOM 1816 N GLY A 121 20.511 -1.627 -2.408 1.00 0.00 N ATOM 1817 CA GLY A 121 21.532 -2.531 -2.905 1.00 0.00 C ATOM 1818 C GLY A 121 22.796 -1.806 -3.320 1.00 0.00 C ATOM 1819 O GLY A 121 23.705 -2.407 -3.892 1.00 0.00 O ATOM 0 H GLY A 121 20.362 -1.662 -1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 121 21.773 -3.262 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 121 21.138 -3.085 -3.757 1.00 0.00 H new TER 1823 GLY A 121