USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 669 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 26 TYR OH : rot -177:sc= 0.932 USER MOD Set 1.2: A 96 TYR OH : rot 32:sc= 0.211 USER MOD Set 2.1: A 23 MET CE :methyl -108:sc= -2.85! (180deg=-2.49!) USER MOD Set 2.2: A 70 LYS NZ :NH3+ -170:sc= -0.705 (180deg=-0.851) USER MOD Set 2.3: A 79 ASN : amide:sc= -4.86! C(o=-8.4!,f=-17!) USER MOD Set 3.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 139:sc= 0.174 USER MOD Single : A 38 SER OG : rot -178:sc= -1.15 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= -0.0192 (180deg=-0.242) USER MOD Single : A 52 SER OG : rot 50:sc= 0.187 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.00165) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 97 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.11) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -82:sc= 0.759 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 6.050 9.315 -4.220 1.00 0.00 N ATOM 2 CA MET A 23 5.996 7.864 -4.265 1.00 0.00 C ATOM 3 C MET A 23 6.927 7.248 -3.219 1.00 0.00 C ATOM 4 O MET A 23 8.126 7.523 -3.211 1.00 0.00 O ATOM 5 CB MET A 23 6.401 7.381 -5.658 1.00 0.00 C ATOM 6 CG MET A 23 6.069 5.899 -5.842 1.00 0.00 C ATOM 7 SD MET A 23 7.079 5.204 -7.139 1.00 0.00 S ATOM 8 CE MET A 23 6.872 3.464 -6.795 1.00 0.00 C ATOM 0 HA MET A 23 4.976 7.550 -4.045 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.884 7.970 -6.416 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.469 7.539 -5.805 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.239 5.361 -4.909 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.014 5.782 -6.089 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.796 3.063 -6.378 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.062 3.329 -6.079 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.632 2.937 -7.718 1.00 0.00 H new ATOM 18 N ARG A 24 6.340 6.425 -2.362 1.00 0.00 N ATOM 19 CA ARG A 24 7.103 5.767 -1.315 1.00 0.00 C ATOM 20 C ARG A 24 6.941 4.250 -1.413 1.00 0.00 C ATOM 21 O ARG A 24 5.826 3.747 -1.547 1.00 0.00 O ATOM 22 CB ARG A 24 6.650 6.232 0.071 1.00 0.00 C ATOM 23 CG ARG A 24 7.426 5.507 1.173 1.00 0.00 C ATOM 24 CD ARG A 24 8.128 6.506 2.095 1.00 0.00 C ATOM 25 NE ARG A 24 7.315 6.727 3.313 1.00 0.00 N ATOM 26 CZ ARG A 24 7.553 7.695 4.210 1.00 0.00 C ATOM 27 NH1 ARG A 24 8.581 8.535 4.032 1.00 0.00 N ATOM 28 NH2 ARG A 24 6.763 7.821 5.285 1.00 0.00 N ATOM 0 H ARG A 24 5.345 6.199 -2.371 1.00 0.00 H new ATOM 0 HA ARG A 24 8.151 6.033 -1.452 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.798 7.308 0.164 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.583 6.046 0.190 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.745 4.886 1.755 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.162 4.839 0.726 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.114 6.130 2.369 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.280 7.451 1.573 1.00 0.00 H new ATOM 0 HE ARG A 24 6.525 6.104 3.480 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.183 8.438 3.214 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.762 9.271 4.714 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.981 7.181 5.421 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.944 8.557 5.967 1.00 0.00 H new ATOM 42 N GLU A 25 8.071 3.560 -1.344 1.00 0.00 N ATOM 43 CA GLU A 25 8.069 2.110 -1.425 1.00 0.00 C ATOM 44 C GLU A 25 7.873 1.501 -0.035 1.00 0.00 C ATOM 45 O GLU A 25 8.424 1.996 0.947 1.00 0.00 O ATOM 46 CB GLU A 25 9.355 1.593 -2.072 1.00 0.00 C ATOM 47 CG GLU A 25 9.561 0.106 -1.777 1.00 0.00 C ATOM 48 CD GLU A 25 10.538 -0.092 -0.617 1.00 0.00 C ATOM 49 OE1 GLU A 25 11.747 0.115 -0.852 1.00 0.00 O ATOM 50 OE2 GLU A 25 10.052 -0.445 0.480 1.00 0.00 O ATOM 0 H GLU A 25 8.994 3.979 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 25 7.235 1.804 -2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.312 1.751 -3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.207 2.162 -1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.604 -0.356 -1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.941 -0.396 -2.667 1.00 0.00 H new ATOM 57 N TYR A 26 7.085 0.436 0.005 1.00 0.00 N ATOM 58 CA TYR A 26 6.810 -0.245 1.259 1.00 0.00 C ATOM 59 C TYR A 26 7.340 -1.679 1.232 1.00 0.00 C ATOM 60 O TYR A 26 7.275 -2.350 0.202 1.00 0.00 O ATOM 61 CB TYR A 26 5.287 -0.279 1.394 1.00 0.00 C ATOM 62 CG TYR A 26 4.628 1.102 1.375 1.00 0.00 C ATOM 63 CD1 TYR A 26 5.177 2.137 2.104 1.00 0.00 C ATOM 64 CD2 TYR A 26 3.485 1.312 0.630 1.00 0.00 C ATOM 65 CE1 TYR A 26 4.558 3.437 2.087 1.00 0.00 C ATOM 66 CE2 TYR A 26 2.867 2.613 0.613 1.00 0.00 C ATOM 67 CZ TYR A 26 3.433 3.611 1.342 1.00 0.00 C ATOM 68 OH TYR A 26 2.848 4.838 1.326 1.00 0.00 O ATOM 0 H TYR A 26 6.628 0.028 -0.811 1.00 0.00 H new ATOM 0 HA TYR A 26 7.292 0.270 2.090 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.874 -0.878 0.582 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.026 -0.781 2.326 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.071 1.972 2.687 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.055 0.502 0.060 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.977 4.256 2.653 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.973 2.792 0.034 1.00 0.00 H new ATOM 0 HH TYR A 26 2.028 4.803 0.790 1.00 0.00 H new ATOM 78 N PRO A 27 7.867 -2.120 2.405 1.00 0.00 N ATOM 79 CA PRO A 27 8.408 -3.463 2.526 1.00 0.00 C ATOM 80 C PRO A 27 7.287 -4.502 2.599 1.00 0.00 C ATOM 81 O PRO A 27 6.114 -4.148 2.698 1.00 0.00 O ATOM 82 CB PRO A 27 9.270 -3.428 3.777 1.00 0.00 C ATOM 83 CG PRO A 27 8.813 -2.212 4.565 1.00 0.00 C ATOM 84 CD PRO A 27 7.961 -1.354 3.644 1.00 0.00 C ATOM 0 HA PRO A 27 9.000 -3.758 1.659 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.148 -4.340 4.361 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.327 -3.353 3.521 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.240 -2.518 5.441 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.672 -1.647 4.927 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.975 -1.172 4.072 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.420 -0.380 3.474 1.00 0.00 H new ATOM 92 N VAL A 28 7.689 -5.763 2.548 1.00 0.00 N ATOM 93 CA VAL A 28 6.732 -6.857 2.608 1.00 0.00 C ATOM 94 C VAL A 28 7.091 -7.779 3.775 1.00 0.00 C ATOM 95 O VAL A 28 8.267 -8.037 4.027 1.00 0.00 O ATOM 96 CB VAL A 28 6.684 -7.583 1.263 1.00 0.00 C ATOM 97 CG1 VAL A 28 6.366 -9.067 1.453 1.00 0.00 C ATOM 98 CG2 VAL A 28 5.677 -6.924 0.319 1.00 0.00 C ATOM 0 H VAL A 28 8.664 -6.053 2.466 1.00 0.00 H new ATOM 0 HA VAL A 28 5.727 -6.477 2.792 1.00 0.00 H new ATOM 0 HB VAL A 28 7.671 -7.507 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.338 -9.560 0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.136 -9.528 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.397 -9.172 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.663 -7.460 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.684 -6.954 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.965 -5.887 0.146 1.00 0.00 H new ATOM 108 N LYS A 29 6.056 -8.250 4.454 1.00 0.00 N ATOM 109 CA LYS A 29 6.248 -9.138 5.587 1.00 0.00 C ATOM 110 C LYS A 29 6.022 -10.585 5.141 1.00 0.00 C ATOM 111 O LYS A 29 5.193 -10.846 4.270 1.00 0.00 O ATOM 112 CB LYS A 29 5.361 -8.712 6.759 1.00 0.00 C ATOM 113 CG LYS A 29 5.568 -9.629 7.966 1.00 0.00 C ATOM 114 CD LYS A 29 6.621 -9.057 8.916 1.00 0.00 C ATOM 115 CE LYS A 29 7.963 -8.884 8.204 1.00 0.00 C ATOM 116 NZ LYS A 29 9.050 -8.680 9.189 1.00 0.00 N ATOM 0 H LYS A 29 5.082 -8.033 4.241 1.00 0.00 H new ATOM 0 HA LYS A 29 7.273 -9.072 5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.589 -7.683 7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.315 -8.736 6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.625 -9.755 8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.878 -10.618 7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.283 -8.095 9.303 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.742 -9.720 9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.175 -9.764 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.914 -8.032 7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.954 -8.564 8.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.854 -7.827 9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.106 -9.505 9.820 1.00 0.00 H new ATOM 130 N LYS A 30 6.774 -11.485 5.755 1.00 0.00 N ATOM 131 CA LYS A 30 6.666 -12.898 5.433 1.00 0.00 C ATOM 132 C LYS A 30 5.278 -13.403 5.829 1.00 0.00 C ATOM 133 O LYS A 30 4.953 -13.472 7.013 1.00 0.00 O ATOM 134 CB LYS A 30 7.812 -13.683 6.073 1.00 0.00 C ATOM 135 CG LYS A 30 8.935 -13.936 5.064 1.00 0.00 C ATOM 136 CD LYS A 30 9.946 -12.788 5.071 1.00 0.00 C ATOM 137 CE LYS A 30 11.362 -13.302 4.797 1.00 0.00 C ATOM 138 NZ LYS A 30 12.349 -12.213 4.960 1.00 0.00 N ATOM 0 H LYS A 30 7.462 -11.264 6.475 1.00 0.00 H new ATOM 0 HA LYS A 30 6.766 -13.052 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.203 -13.130 6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.438 -14.634 6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.440 -14.872 5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.513 -14.048 4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.670 -12.051 4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.920 -12.281 6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.597 -14.119 5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.420 -13.705 3.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.304 -12.579 4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.133 -11.446 4.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.305 -11.847 5.933 1.00 0.00 H new ATOM 152 N GLY A 31 4.496 -13.742 4.815 1.00 0.00 N ATOM 153 CA GLY A 31 3.148 -14.239 5.042 1.00 0.00 C ATOM 154 C GLY A 31 2.105 -13.275 4.473 1.00 0.00 C ATOM 155 O GLY A 31 0.986 -13.198 4.977 1.00 0.00 O ATOM 0 H GLY A 31 4.769 -13.683 3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.035 -15.219 4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.981 -14.372 6.111 1.00 0.00 H new ATOM 159 N PHE A 32 2.510 -12.564 3.431 1.00 0.00 N ATOM 160 CA PHE A 32 1.623 -11.609 2.788 1.00 0.00 C ATOM 161 C PHE A 32 1.615 -11.805 1.270 1.00 0.00 C ATOM 162 O PHE A 32 2.578 -12.318 0.702 1.00 0.00 O ATOM 163 CB PHE A 32 2.162 -10.213 3.107 1.00 0.00 C ATOM 164 CG PHE A 32 1.960 -9.786 4.562 1.00 0.00 C ATOM 165 CD1 PHE A 32 2.612 -10.441 5.560 1.00 0.00 C ATOM 166 CD2 PHE A 32 1.128 -8.751 4.858 1.00 0.00 C ATOM 167 CE1 PHE A 32 2.423 -10.044 6.911 1.00 0.00 C ATOM 168 CE2 PHE A 32 0.940 -8.354 6.208 1.00 0.00 C ATOM 169 CZ PHE A 32 1.591 -9.009 7.207 1.00 0.00 C ATOM 0 H PHE A 32 3.440 -12.630 3.016 1.00 0.00 H new ATOM 0 HA PHE A 32 0.604 -11.744 3.151 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.227 -10.184 2.875 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.674 -9.488 2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.273 -11.262 5.326 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.610 -8.231 4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.940 -10.564 7.704 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.280 -7.532 6.442 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.447 -8.708 8.234 1.00 0.00 H new ATOM 179 N PRO A 33 0.489 -11.374 0.641 1.00 0.00 N ATOM 180 CA PRO A 33 0.343 -11.497 -0.799 1.00 0.00 C ATOM 181 C PRO A 33 1.190 -10.451 -1.527 1.00 0.00 C ATOM 182 O PRO A 33 1.247 -9.295 -1.112 1.00 0.00 O ATOM 183 CB PRO A 33 -1.147 -11.339 -1.058 1.00 0.00 C ATOM 184 CG PRO A 33 -1.718 -10.674 0.184 1.00 0.00 C ATOM 185 CD PRO A 33 -0.671 -10.762 1.283 1.00 0.00 C ATOM 0 HA PRO A 33 0.701 -12.454 -1.178 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.327 -10.731 -1.944 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.617 -12.306 -1.234 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.969 -9.633 -0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.639 -11.169 0.493 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.430 -9.776 1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.025 -11.365 2.120 1.00 0.00 H new ATOM 193 N THR A 34 1.828 -10.897 -2.600 1.00 0.00 N ATOM 194 CA THR A 34 2.669 -10.014 -3.389 1.00 0.00 C ATOM 195 C THR A 34 2.377 -10.191 -4.881 1.00 0.00 C ATOM 196 O THR A 34 3.269 -10.036 -5.715 1.00 0.00 O ATOM 197 CB THR A 34 4.126 -10.294 -3.019 1.00 0.00 C ATOM 198 OG1 THR A 34 4.186 -11.712 -2.892 1.00 0.00 O ATOM 199 CG2 THR A 34 4.485 -9.781 -1.623 1.00 0.00 C ATOM 0 H THR A 34 1.779 -11.857 -2.941 1.00 0.00 H new ATOM 0 HA THR A 34 2.458 -8.967 -3.170 1.00 0.00 H new ATOM 0 HB THR A 34 4.782 -9.831 -3.756 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.098 -11.981 -2.655 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.530 -10.006 -1.411 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.329 -8.703 -1.580 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.851 -10.269 -0.882 1.00 0.00 H new ATOM 207 N ASP A 35 1.124 -10.513 -5.171 1.00 0.00 N ATOM 208 CA ASP A 35 0.704 -10.713 -6.548 1.00 0.00 C ATOM 209 C ASP A 35 -0.517 -9.835 -6.835 1.00 0.00 C ATOM 210 O ASP A 35 -1.311 -9.558 -5.939 1.00 0.00 O ATOM 211 CB ASP A 35 0.307 -12.169 -6.796 1.00 0.00 C ATOM 212 CG ASP A 35 1.427 -13.061 -7.337 1.00 0.00 C ATOM 213 OD1 ASP A 35 2.244 -13.513 -6.506 1.00 0.00 O ATOM 214 OD2 ASP A 35 1.441 -13.270 -8.569 1.00 0.00 O ATOM 0 H ASP A 35 0.387 -10.640 -4.477 1.00 0.00 H new ATOM 0 HA ASP A 35 1.539 -10.451 -7.198 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.057 -12.595 -5.861 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.525 -12.188 -7.500 1.00 0.00 H new ATOM 219 N TYR A 36 -0.625 -9.422 -8.090 1.00 0.00 N ATOM 220 CA TYR A 36 -1.735 -8.581 -8.508 1.00 0.00 C ATOM 221 C TYR A 36 -3.075 -9.212 -8.125 1.00 0.00 C ATOM 222 O TYR A 36 -3.889 -8.588 -7.446 1.00 0.00 O ATOM 223 CB TYR A 36 -1.645 -8.490 -10.032 1.00 0.00 C ATOM 224 CG TYR A 36 -0.723 -7.377 -10.534 1.00 0.00 C ATOM 225 CD1 TYR A 36 0.636 -7.447 -10.300 1.00 0.00 C ATOM 226 CD2 TYR A 36 -1.250 -6.303 -11.222 1.00 0.00 C ATOM 227 CE1 TYR A 36 1.502 -6.400 -10.773 1.00 0.00 C ATOM 228 CE2 TYR A 36 -0.383 -5.254 -11.695 1.00 0.00 C ATOM 229 CZ TYR A 36 0.951 -5.355 -11.447 1.00 0.00 C ATOM 230 OH TYR A 36 1.770 -4.365 -11.894 1.00 0.00 O ATOM 0 H TYR A 36 0.037 -9.654 -8.830 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.679 -7.604 -8.027 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.292 -9.444 -10.423 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.645 -8.330 -10.436 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.049 -8.288 -9.762 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.313 -6.249 -11.406 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.567 -6.443 -10.597 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.783 -4.407 -12.234 1.00 0.00 H new ATOM 0 HH TYR A 36 1.493 -4.093 -12.794 1.00 0.00 H new ATOM 240 N ASP A 37 -3.264 -10.444 -8.578 1.00 0.00 N ATOM 241 CA ASP A 37 -4.490 -11.167 -8.292 1.00 0.00 C ATOM 242 C ASP A 37 -4.643 -11.327 -6.778 1.00 0.00 C ATOM 243 O ASP A 37 -5.694 -11.020 -6.220 1.00 0.00 O ATOM 244 CB ASP A 37 -4.465 -12.563 -8.915 1.00 0.00 C ATOM 245 CG ASP A 37 -5.124 -12.670 -10.292 1.00 0.00 C ATOM 246 OD1 ASP A 37 -6.366 -12.803 -10.318 1.00 0.00 O ATOM 247 OD2 ASP A 37 -4.370 -12.616 -11.286 1.00 0.00 O ATOM 0 H ASP A 37 -2.587 -10.959 -9.141 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.321 -10.600 -8.712 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.428 -12.888 -8.999 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.962 -13.256 -8.236 1.00 0.00 H new ATOM 252 N SER A 38 -3.576 -11.807 -6.156 1.00 0.00 N ATOM 253 CA SER A 38 -3.577 -12.011 -4.717 1.00 0.00 C ATOM 254 C SER A 38 -4.069 -10.749 -4.009 1.00 0.00 C ATOM 255 O SER A 38 -4.991 -10.807 -3.197 1.00 0.00 O ATOM 256 CB SER A 38 -2.183 -12.394 -4.215 1.00 0.00 C ATOM 257 OG SER A 38 -1.711 -13.597 -4.814 1.00 0.00 O ATOM 0 H SER A 38 -2.705 -12.061 -6.622 1.00 0.00 H new ATOM 0 HA SER A 38 -4.255 -12.834 -4.489 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.485 -11.584 -4.430 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.208 -12.514 -3.132 1.00 0.00 H new ATOM 0 HG SER A 38 -0.832 -13.823 -4.445 1.00 0.00 H new ATOM 263 N ILE A 39 -3.432 -9.635 -4.344 1.00 0.00 N ATOM 264 CA ILE A 39 -3.793 -8.359 -3.750 1.00 0.00 C ATOM 265 C ILE A 39 -5.217 -7.989 -4.172 1.00 0.00 C ATOM 266 O ILE A 39 -5.994 -7.479 -3.368 1.00 0.00 O ATOM 267 CB ILE A 39 -2.753 -7.293 -4.096 1.00 0.00 C ATOM 268 CG1 ILE A 39 -1.463 -7.506 -3.301 1.00 0.00 C ATOM 269 CG2 ILE A 39 -3.323 -5.886 -3.899 1.00 0.00 C ATOM 270 CD1 ILE A 39 -0.298 -6.740 -3.930 1.00 0.00 C ATOM 0 H ILE A 39 -2.669 -9.591 -5.019 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.791 -8.432 -2.662 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.500 -7.393 -5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.607 -7.175 -2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.226 -8.569 -3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.563 -5.147 -4.152 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.190 -5.751 -4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.622 -5.757 -2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.606 -6.909 -3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.141 -7.090 -4.950 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.528 -5.675 -3.943 1.00 0.00 H new ATOM 282 N LYS A 40 -5.515 -8.264 -5.434 1.00 0.00 N ATOM 283 CA LYS A 40 -6.832 -7.966 -5.973 1.00 0.00 C ATOM 284 C LYS A 40 -7.901 -8.531 -5.036 1.00 0.00 C ATOM 285 O LYS A 40 -8.948 -7.915 -4.841 1.00 0.00 O ATOM 286 CB LYS A 40 -6.947 -8.470 -7.412 1.00 0.00 C ATOM 287 CG LYS A 40 -6.529 -7.388 -8.408 1.00 0.00 C ATOM 288 CD LYS A 40 -7.196 -7.605 -9.768 1.00 0.00 C ATOM 289 CE LYS A 40 -6.241 -8.295 -10.743 1.00 0.00 C ATOM 290 NZ LYS A 40 -6.916 -9.427 -11.418 1.00 0.00 N ATOM 0 H LYS A 40 -4.868 -8.689 -6.098 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.989 -6.889 -6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.320 -9.352 -7.543 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.974 -8.777 -7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.800 -6.407 -8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.445 -7.396 -8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.094 -8.210 -9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.511 -6.646 -10.179 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.890 -7.578 -11.486 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.363 -8.655 -10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.253 -9.884 -12.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.229 -10.118 -10.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.740 -9.075 -11.946 1.00 0.00 H new ATOM 304 N ARG A 41 -7.600 -9.696 -4.479 1.00 0.00 N ATOM 305 CA ARG A 41 -8.523 -10.352 -3.568 1.00 0.00 C ATOM 306 C ARG A 41 -8.470 -9.686 -2.192 1.00 0.00 C ATOM 307 O ARG A 41 -9.502 -9.506 -1.545 1.00 0.00 O ATOM 308 CB ARG A 41 -8.191 -11.837 -3.421 1.00 0.00 C ATOM 309 CG ARG A 41 -8.852 -12.658 -4.531 1.00 0.00 C ATOM 310 CD ARG A 41 -8.068 -12.543 -5.839 1.00 0.00 C ATOM 311 NE ARG A 41 -8.553 -13.551 -6.810 1.00 0.00 N ATOM 312 CZ ARG A 41 -8.140 -14.826 -6.837 1.00 0.00 C ATOM 313 NH1 ARG A 41 -7.232 -15.256 -5.950 1.00 0.00 N ATOM 314 NH2 ARG A 41 -8.634 -15.670 -7.753 1.00 0.00 N ATOM 0 H ARG A 41 -6.730 -10.202 -4.641 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.526 -10.256 -3.985 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.111 -11.977 -3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.529 -12.195 -2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.911 -13.704 -4.229 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.874 -12.312 -4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.182 -11.542 -6.254 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.005 -12.690 -5.650 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.244 -13.257 -7.501 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.855 -14.613 -5.254 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.918 -16.226 -5.971 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.324 -15.342 -8.429 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.320 -16.640 -7.774 1.00 0.00 H new ATOM 328 N LYS A 42 -7.260 -9.336 -1.784 1.00 0.00 N ATOM 329 CA LYS A 42 -7.059 -8.694 -0.496 1.00 0.00 C ATOM 330 C LYS A 42 -7.778 -7.343 -0.487 1.00 0.00 C ATOM 331 O LYS A 42 -8.286 -6.914 0.547 1.00 0.00 O ATOM 332 CB LYS A 42 -5.567 -8.598 -0.172 1.00 0.00 C ATOM 333 CG LYS A 42 -5.138 -9.723 0.772 1.00 0.00 C ATOM 334 CD LYS A 42 -5.668 -9.485 2.188 1.00 0.00 C ATOM 335 CE LYS A 42 -6.236 -10.773 2.785 1.00 0.00 C ATOM 336 NZ LYS A 42 -6.324 -10.665 4.260 1.00 0.00 N ATOM 0 H LYS A 42 -6.407 -9.485 -2.323 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.497 -9.295 0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.987 -8.650 -1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.352 -7.632 0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.508 -10.677 0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.050 -9.789 0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.865 -9.109 2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.442 -8.718 2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.224 -10.969 2.369 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.603 -11.617 2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.712 -11.548 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.375 -10.500 4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.947 -9.872 4.513 1.00 0.00 H new ATOM 350 N ILE A 43 -7.798 -6.712 -1.651 1.00 0.00 N ATOM 351 CA ILE A 43 -8.447 -5.419 -1.790 1.00 0.00 C ATOM 352 C ILE A 43 -9.962 -5.598 -1.666 1.00 0.00 C ATOM 353 O ILE A 43 -10.599 -4.955 -0.833 1.00 0.00 O ATOM 354 CB ILE A 43 -8.013 -4.738 -3.090 1.00 0.00 C ATOM 355 CG1 ILE A 43 -6.489 -4.631 -3.170 1.00 0.00 C ATOM 356 CG2 ILE A 43 -8.693 -3.378 -3.251 1.00 0.00 C ATOM 357 CD1 ILE A 43 -6.008 -4.718 -4.620 1.00 0.00 C ATOM 0 H ILE A 43 -7.375 -7.071 -2.507 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.137 -4.749 -0.988 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.336 -5.359 -3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.164 -3.688 -2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.034 -5.429 -2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.367 -2.916 -4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.775 -3.512 -3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.423 -2.735 -2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.921 -4.639 -4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.314 -5.673 -5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.446 -3.904 -5.198 1.00 0.00 H new ATOM 369 N SER A 44 -10.494 -6.474 -2.505 1.00 0.00 N ATOM 370 CA SER A 44 -11.921 -6.745 -2.500 1.00 0.00 C ATOM 371 C SER A 44 -12.313 -7.460 -1.205 1.00 0.00 C ATOM 372 O SER A 44 -13.465 -7.398 -0.782 1.00 0.00 O ATOM 373 CB SER A 44 -12.328 -7.583 -3.713 1.00 0.00 C ATOM 374 OG SER A 44 -13.737 -7.572 -3.920 1.00 0.00 O ATOM 0 H SER A 44 -9.962 -7.006 -3.194 1.00 0.00 H new ATOM 0 HA SER A 44 -12.450 -5.793 -2.557 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.828 -7.200 -4.603 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.990 -8.610 -3.574 1.00 0.00 H new ATOM 0 HG SER A 44 -13.957 -8.117 -4.704 1.00 0.00 H new ATOM 380 N GLU A 45 -11.330 -8.123 -0.613 1.00 0.00 N ATOM 381 CA GLU A 45 -11.558 -8.850 0.625 1.00 0.00 C ATOM 382 C GLU A 45 -11.776 -7.873 1.782 1.00 0.00 C ATOM 383 O GLU A 45 -12.336 -8.242 2.813 1.00 0.00 O ATOM 384 CB GLU A 45 -10.398 -9.803 0.923 1.00 0.00 C ATOM 385 CG GLU A 45 -10.574 -11.130 0.183 1.00 0.00 C ATOM 386 CD GLU A 45 -10.871 -12.267 1.162 1.00 0.00 C ATOM 387 OE1 GLU A 45 -9.923 -12.666 1.873 1.00 0.00 O ATOM 388 OE2 GLU A 45 -12.039 -12.712 1.180 1.00 0.00 O ATOM 0 H GLU A 45 -10.375 -8.172 -0.967 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.459 -9.452 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.457 -9.340 0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.340 -9.986 1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.387 -11.044 -0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.670 -11.358 -0.382 1.00 0.00 H new ATOM 395 N LEU A 46 -11.323 -6.646 1.571 1.00 0.00 N ATOM 396 CA LEU A 46 -11.463 -5.613 2.584 1.00 0.00 C ATOM 397 C LEU A 46 -12.683 -4.749 2.260 1.00 0.00 C ATOM 398 O LEU A 46 -13.232 -4.088 3.142 1.00 0.00 O ATOM 399 CB LEU A 46 -10.163 -4.816 2.718 1.00 0.00 C ATOM 400 CG LEU A 46 -10.043 -3.576 1.830 1.00 0.00 C ATOM 401 CD1 LEU A 46 -10.171 -2.295 2.658 1.00 0.00 C ATOM 402 CD2 LEU A 46 -8.747 -3.606 1.018 1.00 0.00 C ATOM 0 H LEU A 46 -10.859 -6.344 0.714 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.639 -6.060 3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.055 -4.506 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.328 -5.480 2.495 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.869 -3.584 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.082 -1.428 2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.142 -2.278 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.380 -2.266 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.687 -2.713 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.894 -3.634 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.736 -4.492 0.383 1.00 0.00 H new ATOM 414 N GLY A 47 -13.074 -4.783 0.995 1.00 0.00 N ATOM 415 CA GLY A 47 -14.219 -4.010 0.545 1.00 0.00 C ATOM 416 C GLY A 47 -13.790 -2.902 -0.417 1.00 0.00 C ATOM 417 O GLY A 47 -14.448 -1.866 -0.512 1.00 0.00 O ATOM 0 H GLY A 47 -12.618 -5.334 0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.935 -4.668 0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.728 -3.573 1.404 1.00 0.00 H new ATOM 421 N PHE A 48 -12.688 -3.156 -1.107 1.00 0.00 N ATOM 422 CA PHE A 48 -12.162 -2.191 -2.060 1.00 0.00 C ATOM 423 C PHE A 48 -12.249 -2.730 -3.490 1.00 0.00 C ATOM 424 O PHE A 48 -12.582 -3.895 -3.699 1.00 0.00 O ATOM 425 CB PHE A 48 -10.692 -1.964 -1.701 1.00 0.00 C ATOM 426 CG PHE A 48 -10.480 -1.022 -0.514 1.00 0.00 C ATOM 427 CD1 PHE A 48 -11.550 -0.552 0.181 1.00 0.00 C ATOM 428 CD2 PHE A 48 -9.220 -0.657 -0.154 1.00 0.00 C ATOM 429 CE1 PHE A 48 -11.353 0.322 1.282 1.00 0.00 C ATOM 430 CE2 PHE A 48 -9.023 0.217 0.948 1.00 0.00 C ATOM 431 CZ PHE A 48 -10.094 0.688 1.642 1.00 0.00 C ATOM 0 H PHE A 48 -12.144 -4.015 -1.026 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.739 -1.268 -2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.231 -2.926 -1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.175 -1.559 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.550 -0.844 -0.105 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.370 -1.031 -0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.203 0.696 1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.023 0.508 1.235 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.944 1.353 2.480 1.00 0.00 H new ATOM 441 N ASP A 49 -11.944 -1.854 -4.437 1.00 0.00 N ATOM 442 CA ASP A 49 -11.984 -2.226 -5.841 1.00 0.00 C ATOM 443 C ASP A 49 -10.579 -2.111 -6.435 1.00 0.00 C ATOM 444 O ASP A 49 -9.713 -1.449 -5.864 1.00 0.00 O ATOM 445 CB ASP A 49 -12.909 -1.298 -6.630 1.00 0.00 C ATOM 446 CG ASP A 49 -14.215 -1.937 -7.108 1.00 0.00 C ATOM 447 OD1 ASP A 49 -14.118 -2.970 -7.806 1.00 0.00 O ATOM 448 OD2 ASP A 49 -15.278 -1.379 -6.763 1.00 0.00 O ATOM 0 H ASP A 49 -11.668 -0.888 -4.259 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.356 -3.248 -5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.151 -0.436 -6.008 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.367 -0.922 -7.498 1.00 0.00 H new ATOM 453 N VAL A 50 -10.395 -2.766 -7.571 1.00 0.00 N ATOM 454 CA VAL A 50 -9.110 -2.746 -8.248 1.00 0.00 C ATOM 455 C VAL A 50 -9.335 -2.689 -9.760 1.00 0.00 C ATOM 456 O VAL A 50 -10.069 -3.505 -10.313 1.00 0.00 O ATOM 457 CB VAL A 50 -8.271 -3.949 -7.814 1.00 0.00 C ATOM 458 CG1 VAL A 50 -9.109 -5.230 -7.814 1.00 0.00 C ATOM 459 CG2 VAL A 50 -7.033 -4.104 -8.700 1.00 0.00 C ATOM 0 H VAL A 50 -11.115 -3.315 -8.040 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.546 -1.856 -7.970 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.932 -3.770 -6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.489 -6.070 -7.502 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.944 -5.118 -7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.491 -5.415 -8.818 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.455 -4.967 -8.369 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.342 -4.250 -9.735 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.419 -3.206 -8.628 1.00 0.00 H new ATOM 469 N LYS A 51 -8.690 -1.715 -10.385 1.00 0.00 N ATOM 470 CA LYS A 51 -8.811 -1.539 -11.823 1.00 0.00 C ATOM 471 C LYS A 51 -7.547 -2.068 -12.505 1.00 0.00 C ATOM 472 O LYS A 51 -6.444 -1.912 -11.983 1.00 0.00 O ATOM 473 CB LYS A 51 -9.127 -0.082 -12.160 1.00 0.00 C ATOM 474 CG LYS A 51 -10.505 0.318 -11.630 1.00 0.00 C ATOM 475 CD LYS A 51 -10.597 0.094 -10.119 1.00 0.00 C ATOM 476 CE LYS A 51 -11.599 1.059 -9.482 1.00 0.00 C ATOM 477 NZ LYS A 51 -11.050 2.433 -9.454 1.00 0.00 N ATOM 0 H LYS A 51 -8.082 -1.039 -9.922 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.649 -2.120 -12.209 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.365 0.568 -11.729 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.094 0.060 -13.240 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.696 1.367 -11.858 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.276 -0.264 -12.135 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.898 -0.934 -9.918 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.615 0.233 -9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.533 1.046 -10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.832 0.734 -8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.559 2.996 -8.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.040 2.398 -9.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.165 2.872 -10.390 1.00 0.00 H new ATOM 491 N SER A 52 -7.749 -2.682 -13.661 1.00 0.00 N ATOM 492 CA SER A 52 -6.640 -3.235 -14.419 1.00 0.00 C ATOM 493 C SER A 52 -6.351 -2.356 -15.639 1.00 0.00 C ATOM 494 O SER A 52 -6.892 -2.591 -16.718 1.00 0.00 O ATOM 495 CB SER A 52 -6.934 -4.672 -14.857 1.00 0.00 C ATOM 496 OG SER A 52 -8.219 -4.794 -15.457 1.00 0.00 O ATOM 0 H SER A 52 -8.665 -2.809 -14.092 1.00 0.00 H new ATOM 0 HA SER A 52 -5.760 -3.253 -13.775 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.171 -4.999 -15.564 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.873 -5.334 -13.993 1.00 0.00 H new ATOM 0 HG SER A 52 -8.327 -4.101 -16.142 1.00 0.00 H new ATOM 502 N GLU A 53 -5.499 -1.365 -15.426 1.00 0.00 N ATOM 503 CA GLU A 53 -5.131 -0.451 -16.494 1.00 0.00 C ATOM 504 C GLU A 53 -3.838 -0.915 -17.168 1.00 0.00 C ATOM 505 O GLU A 53 -2.751 -0.747 -16.618 1.00 0.00 O ATOM 506 CB GLU A 53 -4.992 0.979 -15.968 1.00 0.00 C ATOM 507 CG GLU A 53 -6.169 1.847 -16.420 1.00 0.00 C ATOM 508 CD GLU A 53 -5.809 3.332 -16.362 1.00 0.00 C ATOM 509 OE1 GLU A 53 -4.596 3.625 -16.412 1.00 0.00 O ATOM 510 OE2 GLU A 53 -6.757 4.142 -16.269 1.00 0.00 O ATOM 0 H GLU A 53 -5.052 -1.174 -14.529 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.927 -0.454 -17.238 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.942 0.966 -14.879 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.058 1.412 -16.325 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.454 1.578 -17.437 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.033 1.654 -15.785 1.00 0.00 H new ATOM 517 N GLY A 54 -4.000 -1.491 -18.350 1.00 0.00 N ATOM 518 CA GLY A 54 -2.860 -1.979 -19.106 1.00 0.00 C ATOM 519 C GLY A 54 -2.112 -3.064 -18.329 1.00 0.00 C ATOM 520 O GLY A 54 -2.576 -4.199 -18.236 1.00 0.00 O ATOM 0 H GLY A 54 -4.903 -1.631 -18.802 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.197 -2.378 -20.062 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.184 -1.153 -19.326 1.00 0.00 H new ATOM 524 N ASP A 55 -0.966 -2.676 -17.789 1.00 0.00 N ATOM 525 CA ASP A 55 -0.149 -3.601 -17.022 1.00 0.00 C ATOM 526 C ASP A 55 -0.012 -3.087 -15.587 1.00 0.00 C ATOM 527 O ASP A 55 0.640 -3.717 -14.757 1.00 0.00 O ATOM 528 CB ASP A 55 1.256 -3.719 -17.617 1.00 0.00 C ATOM 529 CG ASP A 55 1.342 -4.523 -18.916 1.00 0.00 C ATOM 530 OD1 ASP A 55 1.519 -5.756 -18.811 1.00 0.00 O ATOM 531 OD2 ASP A 55 1.229 -3.887 -19.985 1.00 0.00 O ATOM 0 H ASP A 55 -0.584 -1.734 -17.867 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.634 -4.577 -17.045 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.642 -2.716 -17.802 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.910 -4.181 -16.877 1.00 0.00 H new ATOM 536 N LEU A 56 -0.640 -1.946 -15.341 1.00 0.00 N ATOM 537 CA LEU A 56 -0.597 -1.339 -14.021 1.00 0.00 C ATOM 538 C LEU A 56 -1.891 -1.662 -13.274 1.00 0.00 C ATOM 539 O LEU A 56 -2.923 -1.914 -13.893 1.00 0.00 O ATOM 540 CB LEU A 56 -0.305 0.160 -14.128 1.00 0.00 C ATOM 541 CG LEU A 56 0.899 0.547 -14.989 1.00 0.00 C ATOM 542 CD1 LEU A 56 1.553 1.829 -14.469 1.00 0.00 C ATOM 543 CD2 LEU A 56 1.897 -0.606 -15.090 1.00 0.00 C ATOM 0 H LEU A 56 -1.181 -1.427 -16.032 1.00 0.00 H new ATOM 0 HA LEU A 56 0.222 -1.758 -13.436 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.189 0.655 -14.531 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.150 0.553 -13.123 1.00 0.00 H new ATOM 0 HG LEU A 56 0.545 0.752 -15.999 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.406 2.083 -15.098 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.829 2.643 -14.494 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.891 1.675 -13.444 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.742 -0.303 -15.708 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.252 -0.869 -14.093 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.410 -1.470 -15.541 1.00 0.00 H new ATOM 555 N ILE A 57 -1.795 -1.643 -11.952 1.00 0.00 N ATOM 556 CA ILE A 57 -2.947 -1.930 -11.114 1.00 0.00 C ATOM 557 C ILE A 57 -3.316 -0.678 -10.316 1.00 0.00 C ATOM 558 O ILE A 57 -2.444 -0.015 -9.757 1.00 0.00 O ATOM 559 CB ILE A 57 -2.682 -3.160 -10.242 1.00 0.00 C ATOM 560 CG1 ILE A 57 -3.926 -4.045 -10.149 1.00 0.00 C ATOM 561 CG2 ILE A 57 -2.165 -2.752 -8.861 1.00 0.00 C ATOM 562 CD1 ILE A 57 -3.762 -5.109 -9.063 1.00 0.00 C ATOM 0 H ILE A 57 -0.937 -1.433 -11.441 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.811 -2.183 -11.728 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.900 -3.753 -10.717 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.799 -3.430 -9.931 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.107 -4.526 -11.110 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.985 -3.644 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.235 -2.195 -8.971 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.907 -2.126 -8.365 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.661 -5.724 -9.018 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.903 -5.738 -9.296 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.606 -4.624 -8.099 1.00 0.00 H new ATOM 574 N ILE A 58 -4.609 -0.394 -10.286 1.00 0.00 N ATOM 575 CA ILE A 58 -5.104 0.766 -9.566 1.00 0.00 C ATOM 576 C ILE A 58 -5.983 0.303 -8.403 1.00 0.00 C ATOM 577 O ILE A 58 -6.869 -0.532 -8.583 1.00 0.00 O ATOM 578 CB ILE A 58 -5.809 1.731 -10.522 1.00 0.00 C ATOM 579 CG1 ILE A 58 -4.929 2.042 -11.735 1.00 0.00 C ATOM 580 CG2 ILE A 58 -6.250 3.002 -9.793 1.00 0.00 C ATOM 581 CD1 ILE A 58 -3.567 2.584 -11.300 1.00 0.00 C ATOM 0 H ILE A 58 -5.330 -0.948 -10.749 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.275 1.328 -9.136 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.711 1.245 -10.894 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.792 1.139 -12.330 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.428 2.772 -12.373 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.748 3.670 -10.496 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.939 2.740 -8.990 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.377 3.502 -9.373 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.962 2.797 -12.181 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.706 3.500 -10.726 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.061 1.842 -10.682 1.00 0.00 H new ATOM 593 N ALA A 59 -5.708 0.864 -7.234 1.00 0.00 N ATOM 594 CA ALA A 59 -6.463 0.518 -6.042 1.00 0.00 C ATOM 595 C ALA A 59 -7.534 1.582 -5.795 1.00 0.00 C ATOM 596 O ALA A 59 -7.286 2.774 -5.982 1.00 0.00 O ATOM 597 CB ALA A 59 -5.505 0.368 -4.858 1.00 0.00 C ATOM 0 H ALA A 59 -4.973 1.556 -7.087 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.972 -0.437 -6.173 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.070 0.108 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.783 -0.420 -5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.979 1.308 -4.694 1.00 0.00 H new ATOM 603 N SER A 60 -8.702 1.116 -5.378 1.00 0.00 N ATOM 604 CA SER A 60 -9.811 2.012 -5.104 1.00 0.00 C ATOM 605 C SER A 60 -10.060 2.090 -3.595 1.00 0.00 C ATOM 606 O SER A 60 -10.614 1.163 -3.006 1.00 0.00 O ATOM 607 CB SER A 60 -11.080 1.559 -5.828 1.00 0.00 C ATOM 608 OG SER A 60 -12.186 2.414 -5.555 1.00 0.00 O ATOM 0 H SER A 60 -8.904 0.128 -5.223 1.00 0.00 H new ATOM 0 HA SER A 60 -9.549 3.003 -5.475 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.896 1.537 -6.902 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.326 0.541 -5.526 1.00 0.00 H new ATOM 0 HG SER A 60 -12.976 2.091 -6.037 1.00 0.00 H new ATOM 614 N ILE A 61 -9.640 3.204 -3.015 1.00 0.00 N ATOM 615 CA ILE A 61 -9.811 3.415 -1.587 1.00 0.00 C ATOM 616 C ILE A 61 -10.531 4.744 -1.355 1.00 0.00 C ATOM 617 O ILE A 61 -10.440 5.656 -2.176 1.00 0.00 O ATOM 618 CB ILE A 61 -8.466 3.311 -0.866 1.00 0.00 C ATOM 619 CG1 ILE A 61 -7.616 4.560 -1.105 1.00 0.00 C ATOM 620 CG2 ILE A 61 -7.727 2.032 -1.265 1.00 0.00 C ATOM 621 CD1 ILE A 61 -6.267 4.452 -0.393 1.00 0.00 C ATOM 0 H ILE A 61 -9.182 3.971 -3.508 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.438 2.633 -1.159 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.658 3.252 0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.456 4.696 -2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.150 5.441 -0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.774 1.983 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.332 1.165 -1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.547 2.036 -2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.684 5.354 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.429 4.341 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.725 3.584 -0.770 1.00 0.00 H new ATOM 633 N PRO A 62 -11.252 4.814 -0.203 1.00 0.00 N ATOM 634 CA PRO A 62 -11.987 6.017 0.147 1.00 0.00 C ATOM 635 C PRO A 62 -11.041 7.118 0.632 1.00 0.00 C ATOM 636 O PRO A 62 -10.156 6.866 1.448 1.00 0.00 O ATOM 637 CB PRO A 62 -12.979 5.576 1.212 1.00 0.00 C ATOM 638 CG PRO A 62 -12.451 4.256 1.751 1.00 0.00 C ATOM 639 CD PRO A 62 -11.383 3.754 0.792 1.00 0.00 C ATOM 0 HA PRO A 62 -12.505 6.455 -0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.056 6.319 2.006 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.977 5.455 0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.035 4.391 2.749 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.258 3.529 1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.439 3.576 1.308 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.677 2.811 0.330 1.00 0.00 H new ATOM 647 N GLY A 63 -11.260 8.315 0.108 1.00 0.00 N ATOM 648 CA GLY A 63 -10.438 9.454 0.475 1.00 0.00 C ATOM 649 C GLY A 63 -9.384 9.740 -0.596 1.00 0.00 C ATOM 650 O GLY A 63 -8.925 10.873 -0.735 1.00 0.00 O ATOM 0 H GLY A 63 -11.996 8.520 -0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.069 10.332 0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.948 9.261 1.429 1.00 0.00 H new ATOM 654 N ILE A 64 -9.031 8.693 -1.328 1.00 0.00 N ATOM 655 CA ILE A 64 -8.039 8.816 -2.382 1.00 0.00 C ATOM 656 C ILE A 64 -8.734 8.720 -3.742 1.00 0.00 C ATOM 657 O ILE A 64 -9.748 8.037 -3.879 1.00 0.00 O ATOM 658 CB ILE A 64 -6.920 7.791 -2.190 1.00 0.00 C ATOM 659 CG1 ILE A 64 -6.019 8.179 -1.016 1.00 0.00 C ATOM 660 CG2 ILE A 64 -6.127 7.596 -3.482 1.00 0.00 C ATOM 661 CD1 ILE A 64 -6.449 7.466 0.267 1.00 0.00 C ATOM 0 H ILE A 64 -9.415 7.755 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.555 9.792 -2.337 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.374 6.831 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.985 7.925 -1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.056 9.258 -0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.338 6.862 -3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.794 7.242 -4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.683 8.545 -3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.791 7.760 1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.475 7.741 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.387 6.387 0.122 1.00 0.00 H new ATOM 673 N SER A 65 -8.161 9.415 -4.714 1.00 0.00 N ATOM 674 CA SER A 65 -8.712 9.415 -6.059 1.00 0.00 C ATOM 675 C SER A 65 -8.263 8.159 -6.809 1.00 0.00 C ATOM 676 O SER A 65 -9.089 7.336 -7.198 1.00 0.00 O ATOM 677 CB SER A 65 -8.292 10.670 -6.825 1.00 0.00 C ATOM 678 OG SER A 65 -8.703 10.627 -8.189 1.00 0.00 O ATOM 0 H SER A 65 -7.321 9.982 -4.597 1.00 0.00 H new ATOM 0 HA SER A 65 -9.799 9.415 -5.984 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.722 11.549 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.209 10.779 -6.776 1.00 0.00 H new ATOM 0 HG SER A 65 -8.417 11.447 -8.643 1.00 0.00 H new ATOM 684 N ARG A 66 -6.955 8.054 -6.993 1.00 0.00 N ATOM 685 CA ARG A 66 -6.386 6.914 -7.690 1.00 0.00 C ATOM 686 C ARG A 66 -4.935 6.696 -7.256 1.00 0.00 C ATOM 687 O ARG A 66 -4.183 7.655 -7.092 1.00 0.00 O ATOM 688 CB ARG A 66 -6.434 7.115 -9.205 1.00 0.00 C ATOM 689 CG ARG A 66 -5.675 8.379 -9.614 1.00 0.00 C ATOM 690 CD ARG A 66 -5.785 8.621 -11.122 1.00 0.00 C ATOM 691 NE ARG A 66 -6.920 9.526 -11.407 1.00 0.00 N ATOM 692 CZ ARG A 66 -7.364 9.808 -12.639 1.00 0.00 C ATOM 693 NH1 ARG A 66 -6.772 9.258 -13.707 1.00 0.00 N ATOM 694 NH2 ARG A 66 -8.402 10.642 -12.803 1.00 0.00 N ATOM 0 H ARG A 66 -6.273 8.741 -6.671 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.981 6.038 -7.433 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.001 6.248 -9.704 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.471 7.187 -9.533 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.074 9.238 -9.074 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.626 8.285 -9.333 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.859 9.056 -11.497 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.925 7.673 -11.642 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.394 9.962 -10.616 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.983 8.624 -13.583 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.110 9.473 -14.645 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.853 11.061 -11.990 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.740 10.857 -13.741 1.00 0.00 H new ATOM 708 N ILE A 67 -4.586 5.429 -7.083 1.00 0.00 N ATOM 709 CA ILE A 67 -3.239 5.074 -6.672 1.00 0.00 C ATOM 710 C ILE A 67 -2.755 3.881 -7.499 1.00 0.00 C ATOM 711 O ILE A 67 -3.562 3.079 -7.968 1.00 0.00 O ATOM 712 CB ILE A 67 -3.185 4.835 -5.161 1.00 0.00 C ATOM 713 CG1 ILE A 67 -4.202 3.775 -4.737 1.00 0.00 C ATOM 714 CG2 ILE A 67 -3.369 6.146 -4.392 1.00 0.00 C ATOM 715 CD1 ILE A 67 -5.515 4.420 -4.290 1.00 0.00 C ATOM 0 H ILE A 67 -5.213 4.636 -7.220 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.553 5.898 -6.867 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.196 4.450 -4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.391 3.095 -5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.791 3.177 -3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.327 5.949 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.576 6.842 -4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.336 6.582 -4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.220 3.643 -3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.326 5.080 -3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.936 4.997 -5.113 1.00 0.00 H new ATOM 727 N GLU A 68 -1.442 3.804 -7.655 1.00 0.00 N ATOM 728 CA GLU A 68 -0.842 2.722 -8.419 1.00 0.00 C ATOM 729 C GLU A 68 -0.149 1.731 -7.482 1.00 0.00 C ATOM 730 O GLU A 68 0.552 2.135 -6.554 1.00 0.00 O ATOM 731 CB GLU A 68 0.136 3.266 -9.463 1.00 0.00 C ATOM 732 CG GLU A 68 -0.510 3.307 -10.850 1.00 0.00 C ATOM 733 CD GLU A 68 0.308 4.174 -11.810 1.00 0.00 C ATOM 734 OE1 GLU A 68 1.536 4.255 -11.594 1.00 0.00 O ATOM 735 OE2 GLU A 68 -0.314 4.737 -12.736 1.00 0.00 O ATOM 0 H GLU A 68 -0.777 4.472 -7.266 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.634 2.195 -8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.458 4.268 -9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.028 2.640 -9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.591 2.295 -11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.523 3.701 -10.772 1.00 0.00 H new ATOM 742 N ILE A 69 -0.369 0.454 -7.756 1.00 0.00 N ATOM 743 CA ILE A 69 0.226 -0.597 -6.948 1.00 0.00 C ATOM 744 C ILE A 69 1.097 -1.488 -7.839 1.00 0.00 C ATOM 745 O ILE A 69 0.699 -1.838 -8.948 1.00 0.00 O ATOM 746 CB ILE A 69 -0.856 -1.363 -6.184 1.00 0.00 C ATOM 747 CG1 ILE A 69 -2.112 -0.508 -6.008 1.00 0.00 C ATOM 748 CG2 ILE A 69 -0.321 -1.878 -4.846 1.00 0.00 C ATOM 749 CD1 ILE A 69 -1.872 0.621 -5.004 1.00 0.00 C ATOM 0 H ILE A 69 -0.951 0.123 -8.526 1.00 0.00 H new ATOM 0 HA ILE A 69 0.879 -0.169 -6.187 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.140 -2.234 -6.774 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.407 -0.088 -6.969 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.937 -1.133 -5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.110 -2.419 -4.323 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.521 -2.547 -5.024 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.007 -1.036 -4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.781 1.213 -4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.601 0.197 -4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.063 1.259 -5.360 1.00 0.00 H new ATOM 761 N LYS A 70 2.268 -1.825 -7.319 1.00 0.00 N ATOM 762 CA LYS A 70 3.198 -2.667 -8.052 1.00 0.00 C ATOM 763 C LYS A 70 3.796 -3.706 -7.102 1.00 0.00 C ATOM 764 O LYS A 70 4.840 -3.471 -6.496 1.00 0.00 O ATOM 765 CB LYS A 70 4.245 -1.812 -8.767 1.00 0.00 C ATOM 766 CG LYS A 70 4.010 -1.805 -10.278 1.00 0.00 C ATOM 767 CD LYS A 70 3.046 -0.687 -10.679 1.00 0.00 C ATOM 768 CE LYS A 70 3.807 0.593 -11.029 1.00 0.00 C ATOM 769 NZ LYS A 70 2.992 1.786 -10.708 1.00 0.00 N ATOM 0 H LYS A 70 2.594 -1.530 -6.399 1.00 0.00 H new ATOM 0 HA LYS A 70 2.678 -3.215 -8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.208 -0.792 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.242 -2.197 -8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.960 -1.674 -10.796 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.606 -2.768 -10.591 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.450 -1.005 -11.534 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.352 -0.490 -9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.746 0.627 -10.476 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.061 0.594 -12.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.446 2.634 -11.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.043 1.678 -11.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.914 1.885 -9.676 1.00 0.00 H new ATOM 783 N PRO A 71 3.090 -4.865 -6.999 1.00 0.00 N ATOM 784 CA PRO A 71 3.542 -5.941 -6.134 1.00 0.00 C ATOM 785 C PRO A 71 4.730 -6.680 -6.751 1.00 0.00 C ATOM 786 O PRO A 71 4.687 -7.065 -7.919 1.00 0.00 O ATOM 787 CB PRO A 71 2.322 -6.830 -5.945 1.00 0.00 C ATOM 788 CG PRO A 71 1.370 -6.478 -7.076 1.00 0.00 C ATOM 789 CD PRO A 71 1.849 -5.179 -7.702 1.00 0.00 C ATOM 0 HA PRO A 71 3.911 -5.582 -5.173 1.00 0.00 H new ATOM 0 HB2 PRO A 71 2.598 -7.884 -5.980 1.00 0.00 H new ATOM 0 HB3 PRO A 71 1.857 -6.654 -4.975 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.349 -7.275 -7.819 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.353 -6.368 -6.699 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.018 -5.294 -8.773 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.112 -4.385 -7.579 1.00 0.00 H new ATOM 797 N ASP A 72 5.763 -6.855 -5.940 1.00 0.00 N ATOM 798 CA ASP A 72 6.961 -7.540 -6.391 1.00 0.00 C ATOM 799 C ASP A 72 7.416 -8.528 -5.314 1.00 0.00 C ATOM 800 O ASP A 72 7.215 -8.291 -4.125 1.00 0.00 O ATOM 801 CB ASP A 72 8.102 -6.552 -6.637 1.00 0.00 C ATOM 802 CG ASP A 72 8.923 -6.813 -7.902 1.00 0.00 C ATOM 803 OD1 ASP A 72 8.288 -7.082 -8.945 1.00 0.00 O ATOM 804 OD2 ASP A 72 10.166 -6.737 -7.798 1.00 0.00 O ATOM 0 H ASP A 72 5.794 -6.534 -4.972 1.00 0.00 H new ATOM 0 HA ASP A 72 6.723 -8.055 -7.322 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.686 -5.546 -6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.771 -6.572 -5.777 1.00 0.00 H new ATOM 809 N LYS A 73 8.019 -9.617 -5.771 1.00 0.00 N ATOM 810 CA LYS A 73 8.503 -10.641 -4.861 1.00 0.00 C ATOM 811 C LYS A 73 9.341 -9.986 -3.762 1.00 0.00 C ATOM 812 O LYS A 73 9.253 -10.370 -2.596 1.00 0.00 O ATOM 813 CB LYS A 73 9.245 -11.735 -5.632 1.00 0.00 C ATOM 814 CG LYS A 73 8.262 -12.694 -6.305 1.00 0.00 C ATOM 815 CD LYS A 73 8.933 -14.031 -6.624 1.00 0.00 C ATOM 816 CE LYS A 73 8.308 -14.677 -7.862 1.00 0.00 C ATOM 817 NZ LYS A 73 8.834 -14.052 -9.096 1.00 0.00 N ATOM 0 H LYS A 73 8.183 -9.812 -6.759 1.00 0.00 H new ATOM 0 HA LYS A 73 7.668 -11.140 -4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.889 -11.281 -6.385 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.892 -12.289 -4.952 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.405 -12.860 -5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.881 -12.246 -7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.999 -13.876 -6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.837 -14.703 -5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.523 -15.746 -7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.224 -14.570 -7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.250 -14.339 -9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.807 -13.017 -9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.815 -14.360 -9.250 1.00 0.00 H new ATOM 831 N ARG A 74 10.135 -9.008 -4.172 1.00 0.00 N ATOM 832 CA ARG A 74 10.989 -8.296 -3.236 1.00 0.00 C ATOM 833 C ARG A 74 10.143 -7.465 -2.271 1.00 0.00 C ATOM 834 O ARG A 74 10.096 -7.751 -1.075 1.00 0.00 O ATOM 835 CB ARG A 74 11.964 -7.374 -3.972 1.00 0.00 C ATOM 836 CG ARG A 74 13.195 -8.146 -4.451 1.00 0.00 C ATOM 837 CD ARG A 74 14.221 -8.294 -3.325 1.00 0.00 C ATOM 838 NE ARG A 74 15.545 -7.816 -3.783 1.00 0.00 N ATOM 839 CZ ARG A 74 16.550 -7.490 -2.959 1.00 0.00 C ATOM 840 NH1 ARG A 74 16.389 -7.587 -1.631 1.00 0.00 N ATOM 841 NH2 ARG A 74 17.718 -7.065 -3.461 1.00 0.00 N ATOM 0 H ARG A 74 10.205 -8.692 -5.139 1.00 0.00 H new ATOM 0 HA ARG A 74 11.559 -9.038 -2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.463 -6.916 -4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.273 -6.564 -3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 74 12.895 -9.132 -4.807 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.649 -7.627 -5.295 1.00 0.00 H new ATOM 0 HD2 ARG A 74 13.901 -7.724 -2.453 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.288 -9.338 -3.017 1.00 0.00 H new ATOM 0 HE ARG A 74 15.702 -7.730 -4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.501 -7.909 -1.247 1.00 0.00 H new ATOM 0 HH12 ARG A 74 17.155 -7.339 -1.005 1.00 0.00 H new ATOM 0 HH21 ARG A 74 17.842 -6.990 -4.471 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.483 -6.817 -2.833 1.00 0.00 H new ATOM 855 N LYS A 75 9.493 -6.451 -2.825 1.00 0.00 N ATOM 856 CA LYS A 75 8.649 -5.577 -2.027 1.00 0.00 C ATOM 857 C LYS A 75 7.558 -4.979 -2.917 1.00 0.00 C ATOM 858 O LYS A 75 7.364 -5.418 -4.049 1.00 0.00 O ATOM 859 CB LYS A 75 9.497 -4.529 -1.306 1.00 0.00 C ATOM 860 CG LYS A 75 10.283 -3.676 -2.303 1.00 0.00 C ATOM 861 CD LYS A 75 11.692 -4.236 -2.512 1.00 0.00 C ATOM 862 CE LYS A 75 12.750 -3.153 -2.289 1.00 0.00 C ATOM 863 NZ LYS A 75 14.033 -3.546 -2.913 1.00 0.00 N ATOM 0 H LYS A 75 9.534 -6.215 -3.817 1.00 0.00 H new ATOM 0 HA LYS A 75 8.147 -6.143 -1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.854 -3.889 -0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.187 -5.023 -0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.755 -3.645 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.346 -2.650 -1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.864 -5.064 -1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.782 -4.636 -3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.407 -2.209 -2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.893 -2.990 -1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.740 -2.800 -2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.366 -4.436 -2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.896 -3.678 -3.935 1.00 0.00 H new ATOM 877 N ILE A 76 6.872 -3.986 -2.371 1.00 0.00 N ATOM 878 CA ILE A 76 5.805 -3.323 -3.101 1.00 0.00 C ATOM 879 C ILE A 76 5.945 -1.808 -2.936 1.00 0.00 C ATOM 880 O ILE A 76 6.582 -1.338 -1.994 1.00 0.00 O ATOM 881 CB ILE A 76 4.442 -3.864 -2.665 1.00 0.00 C ATOM 882 CG1 ILE A 76 3.925 -3.124 -1.430 1.00 0.00 C ATOM 883 CG2 ILE A 76 4.498 -5.378 -2.447 1.00 0.00 C ATOM 884 CD1 ILE A 76 2.490 -3.542 -1.100 1.00 0.00 C ATOM 0 H ILE A 76 7.034 -3.624 -1.431 1.00 0.00 H new ATOM 0 HA ILE A 76 5.882 -3.537 -4.167 1.00 0.00 H new ATOM 0 HB ILE A 76 3.729 -3.680 -3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.573 -3.333 -0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.963 -2.049 -1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.517 -5.738 -2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.788 -5.869 -3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.229 -5.607 -1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.147 -3.001 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.840 -3.310 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.459 -4.614 -0.903 1.00 0.00 H new ATOM 896 N LEU A 77 5.339 -1.085 -3.867 1.00 0.00 N ATOM 897 CA LEU A 77 5.387 0.366 -3.836 1.00 0.00 C ATOM 898 C LEU A 77 4.030 0.928 -4.263 1.00 0.00 C ATOM 899 O LEU A 77 3.282 0.270 -4.985 1.00 0.00 O ATOM 900 CB LEU A 77 6.557 0.881 -4.678 1.00 0.00 C ATOM 901 CG LEU A 77 7.049 -0.055 -5.785 1.00 0.00 C ATOM 902 CD1 LEU A 77 7.673 -1.320 -5.196 1.00 0.00 C ATOM 903 CD2 LEU A 77 5.924 -0.376 -6.771 1.00 0.00 C ATOM 0 H LEU A 77 4.812 -1.478 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 77 5.573 0.718 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.263 1.827 -5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.393 1.094 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 77 7.831 0.459 -6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.014 -1.967 -6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.520 -1.049 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.930 -1.847 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.300 -1.042 -7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.104 -0.861 -6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.566 0.547 -7.227 1.00 0.00 H new ATOM 915 N VAL A 78 3.752 2.136 -3.796 1.00 0.00 N ATOM 916 CA VAL A 78 2.496 2.793 -4.120 1.00 0.00 C ATOM 917 C VAL A 78 2.777 4.231 -4.559 1.00 0.00 C ATOM 918 O VAL A 78 3.716 4.861 -4.074 1.00 0.00 O ATOM 919 CB VAL A 78 1.539 2.707 -2.929 1.00 0.00 C ATOM 920 CG1 VAL A 78 0.086 2.622 -3.400 1.00 0.00 C ATOM 921 CG2 VAL A 78 1.893 1.525 -2.024 1.00 0.00 C ATOM 0 H VAL A 78 4.374 2.677 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 78 2.004 2.289 -4.952 1.00 0.00 H new ATOM 0 HB VAL A 78 1.649 3.620 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.574 2.562 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.160 3.510 -3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.045 1.734 -4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.197 1.487 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.826 0.598 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.909 1.647 -1.647 1.00 0.00 H new ATOM 931 N ASN A 79 1.946 4.709 -5.474 1.00 0.00 N ATOM 932 CA ASN A 79 2.092 6.062 -5.984 1.00 0.00 C ATOM 933 C ASN A 79 0.748 6.786 -5.891 1.00 0.00 C ATOM 934 O ASN A 79 -0.253 6.314 -6.425 1.00 0.00 O ATOM 935 CB ASN A 79 2.523 6.053 -7.452 1.00 0.00 C ATOM 936 CG ASN A 79 3.318 4.788 -7.782 1.00 0.00 C ATOM 937 OD1 ASN A 79 3.860 4.120 -6.917 1.00 0.00 O ATOM 938 ND2 ASN A 79 3.358 4.497 -9.079 1.00 0.00 N ATOM 0 H ASN A 79 1.169 4.183 -5.875 1.00 0.00 H new ATOM 0 HA ASN A 79 2.852 6.567 -5.387 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.644 6.112 -8.093 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.130 6.934 -7.662 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.864 3.672 -9.401 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.882 5.099 -9.752 1.00 0.00 H new ATOM 945 N THR A 80 0.771 7.921 -5.207 1.00 0.00 N ATOM 946 CA THR A 80 -0.434 8.716 -5.038 1.00 0.00 C ATOM 947 C THR A 80 -0.472 9.853 -6.060 1.00 0.00 C ATOM 948 O THR A 80 0.572 10.330 -6.503 1.00 0.00 O ATOM 949 CB THR A 80 -0.479 9.202 -3.588 1.00 0.00 C ATOM 950 OG1 THR A 80 0.726 9.944 -3.432 1.00 0.00 O ATOM 951 CG2 THR A 80 -0.343 8.056 -2.582 1.00 0.00 C ATOM 0 H THR A 80 1.604 8.309 -4.764 1.00 0.00 H new ATOM 0 HA THR A 80 -1.329 8.122 -5.226 1.00 0.00 H new ATOM 0 HB THR A 80 -1.416 9.731 -3.412 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.777 10.297 -2.519 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.381 8.455 -1.568 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.160 7.348 -2.724 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.609 7.548 -2.736 1.00 0.00 H new ATOM 959 N GLY A 81 -1.687 10.255 -6.406 1.00 0.00 N ATOM 960 CA GLY A 81 -1.875 11.326 -7.369 1.00 0.00 C ATOM 961 C GLY A 81 -2.557 12.533 -6.720 1.00 0.00 C ATOM 962 O GLY A 81 -1.889 13.439 -6.226 1.00 0.00 O ATOM 0 H GLY A 81 -2.551 9.858 -6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.910 11.625 -7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.478 10.968 -8.203 1.00 0.00 H new ATOM 966 N ASP A 82 -3.883 12.504 -6.742 1.00 0.00 N ATOM 967 CA ASP A 82 -4.664 13.583 -6.162 1.00 0.00 C ATOM 968 C ASP A 82 -5.541 13.026 -5.038 1.00 0.00 C ATOM 969 O ASP A 82 -6.385 12.164 -5.275 1.00 0.00 O ATOM 970 CB ASP A 82 -5.582 14.221 -7.206 1.00 0.00 C ATOM 971 CG ASP A 82 -6.459 15.362 -6.686 1.00 0.00 C ATOM 972 OD1 ASP A 82 -6.730 15.358 -5.465 1.00 0.00 O ATOM 973 OD2 ASP A 82 -6.837 16.212 -7.520 1.00 0.00 O ATOM 0 H ASP A 82 -4.435 11.751 -7.152 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.971 14.335 -5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.969 14.598 -8.025 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.228 13.447 -7.621 1.00 0.00 H new ATOM 978 N TYR A 83 -5.309 13.543 -3.839 1.00 0.00 N ATOM 979 CA TYR A 83 -6.068 13.106 -2.680 1.00 0.00 C ATOM 980 C TYR A 83 -7.400 13.853 -2.583 1.00 0.00 C ATOM 981 O TYR A 83 -7.566 14.914 -3.183 1.00 0.00 O ATOM 982 CB TYR A 83 -5.212 13.456 -1.461 1.00 0.00 C ATOM 983 CG TYR A 83 -4.513 12.253 -0.825 1.00 0.00 C ATOM 984 CD1 TYR A 83 -3.722 11.427 -1.597 1.00 0.00 C ATOM 985 CD2 TYR A 83 -4.674 11.993 0.521 1.00 0.00 C ATOM 986 CE1 TYR A 83 -3.063 10.295 -0.999 1.00 0.00 C ATOM 987 CE2 TYR A 83 -4.016 10.860 1.119 1.00 0.00 C ATOM 988 CZ TYR A 83 -3.243 10.067 0.330 1.00 0.00 C ATOM 989 OH TYR A 83 -2.622 8.998 0.896 1.00 0.00 O ATOM 0 H TYR A 83 -4.608 14.258 -3.646 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.289 12.041 -2.745 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.459 14.186 -1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.843 13.934 -0.712 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.597 11.630 -2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -5.293 12.639 1.126 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -2.440 9.642 -1.592 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -4.134 10.645 2.171 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.841 8.960 1.851 1.00 0.00 H new ATOM 1044 N ASP A 88 -9.731 15.026 4.864 1.00 0.00 N ATOM 1045 CA ASP A 88 -8.422 15.357 5.403 1.00 0.00 C ATOM 1046 C ASP A 88 -7.410 14.297 4.961 1.00 0.00 C ATOM 1047 O ASP A 88 -7.416 13.178 5.470 1.00 0.00 O ATOM 1048 CB ASP A 88 -8.444 15.380 6.933 1.00 0.00 C ATOM 1049 CG ASP A 88 -8.721 16.750 7.554 1.00 0.00 C ATOM 1050 OD1 ASP A 88 -8.411 17.753 6.878 1.00 0.00 O ATOM 1051 OD2 ASP A 88 -9.238 16.762 8.693 1.00 0.00 O ATOM 0 HA ASP A 88 -8.145 16.344 5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.203 14.680 7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.484 15.018 7.301 1.00 0.00 H new ATOM 1056 N LYS A 89 -6.567 14.688 4.016 1.00 0.00 N ATOM 1057 CA LYS A 89 -5.553 13.785 3.499 1.00 0.00 C ATOM 1058 C LYS A 89 -4.802 13.144 4.669 1.00 0.00 C ATOM 1059 O LYS A 89 -4.245 12.056 4.533 1.00 0.00 O ATOM 1060 CB LYS A 89 -4.641 14.513 2.511 1.00 0.00 C ATOM 1061 CG LYS A 89 -3.971 15.721 3.169 1.00 0.00 C ATOM 1062 CD LYS A 89 -3.065 16.455 2.178 1.00 0.00 C ATOM 1063 CE LYS A 89 -3.246 17.970 2.286 1.00 0.00 C ATOM 1064 NZ LYS A 89 -1.946 18.660 2.137 1.00 0.00 N ATOM 0 H LYS A 89 -6.566 15.617 3.595 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.017 12.976 2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.879 13.827 2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.221 14.840 1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -4.733 16.404 3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -3.386 15.393 4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.024 16.195 2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.292 16.130 1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.938 18.315 1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.689 18.221 3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.088 19.688 2.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.297 18.344 2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.538 18.435 1.207 1.00 0.00 H new ATOM 1078 N LEU A 90 -4.813 13.846 5.793 1.00 0.00 N ATOM 1079 CA LEU A 90 -4.141 13.359 6.987 1.00 0.00 C ATOM 1080 C LEU A 90 -4.983 12.253 7.625 1.00 0.00 C ATOM 1081 O LEU A 90 -4.443 11.278 8.145 1.00 0.00 O ATOM 1082 CB LEU A 90 -3.827 14.519 7.935 1.00 0.00 C ATOM 1083 CG LEU A 90 -2.441 15.148 7.787 1.00 0.00 C ATOM 1084 CD1 LEU A 90 -2.535 16.533 7.142 1.00 0.00 C ATOM 1085 CD2 LEU A 90 -1.712 15.190 9.131 1.00 0.00 C ATOM 0 H LEU A 90 -5.276 14.748 5.902 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.178 12.918 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.575 15.297 7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.936 14.164 8.960 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.850 14.521 7.120 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.536 16.959 7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.986 16.444 6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.150 17.183 7.764 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.729 15.642 8.998 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.290 15.782 9.840 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.596 14.176 9.514 1.00 0.00 H new ATOM 1097 N ALA A 91 -6.293 12.440 7.564 1.00 0.00 N ATOM 1098 CA ALA A 91 -7.216 11.470 8.129 1.00 0.00 C ATOM 1099 C ALA A 91 -7.264 10.233 7.229 1.00 0.00 C ATOM 1100 O ALA A 91 -7.118 9.109 7.706 1.00 0.00 O ATOM 1101 CB ALA A 91 -8.591 12.116 8.307 1.00 0.00 C ATOM 0 H ALA A 91 -6.738 13.250 7.132 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.878 11.148 9.114 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.283 11.388 8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.507 12.971 8.978 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.964 12.450 7.339 1.00 0.00 H new ATOM 1107 N VAL A 92 -7.471 10.485 5.945 1.00 0.00 N ATOM 1108 CA VAL A 92 -7.540 9.405 4.974 1.00 0.00 C ATOM 1109 C VAL A 92 -6.236 8.608 5.009 1.00 0.00 C ATOM 1110 O VAL A 92 -6.235 7.399 4.782 1.00 0.00 O ATOM 1111 CB VAL A 92 -7.860 9.969 3.588 1.00 0.00 C ATOM 1112 CG1 VAL A 92 -9.052 10.926 3.646 1.00 0.00 C ATOM 1113 CG2 VAL A 92 -6.636 10.655 2.979 1.00 0.00 C ATOM 0 H VAL A 92 -7.593 11.419 5.554 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.347 8.716 5.225 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.132 9.134 2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.258 11.312 2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.928 10.394 4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.821 11.755 4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.891 11.047 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.319 11.474 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.825 9.934 2.883 1.00 0.00 H new ATOM 1123 N VAL A 93 -5.154 9.318 5.297 1.00 0.00 N ATOM 1124 CA VAL A 93 -3.845 8.692 5.365 1.00 0.00 C ATOM 1125 C VAL A 93 -3.909 7.486 6.305 1.00 0.00 C ATOM 1126 O VAL A 93 -3.214 6.493 6.096 1.00 0.00 O ATOM 1127 CB VAL A 93 -2.792 9.721 5.783 1.00 0.00 C ATOM 1128 CG1 VAL A 93 -1.682 9.067 6.607 1.00 0.00 C ATOM 1129 CG2 VAL A 93 -2.216 10.443 4.564 1.00 0.00 C ATOM 0 H VAL A 93 -5.158 10.320 5.486 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.547 8.324 4.383 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.282 10.464 6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.947 9.821 6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.110 8.621 7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.196 8.292 6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.470 11.168 4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.750 9.717 3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.017 10.959 4.035 1.00 0.00 H new ATOM 1139 N ARG A 94 -4.748 7.613 7.321 1.00 0.00 N ATOM 1140 CA ARG A 94 -4.913 6.547 8.295 1.00 0.00 C ATOM 1141 C ARG A 94 -5.560 5.325 7.640 1.00 0.00 C ATOM 1142 O ARG A 94 -5.318 4.193 8.056 1.00 0.00 O ATOM 1143 CB ARG A 94 -5.777 7.004 9.472 1.00 0.00 C ATOM 1144 CG ARG A 94 -7.262 6.781 9.181 1.00 0.00 C ATOM 1145 CD ARG A 94 -7.678 5.346 9.519 1.00 0.00 C ATOM 1146 NE ARG A 94 -8.431 5.324 10.793 1.00 0.00 N ATOM 1147 CZ ARG A 94 -9.058 4.244 11.276 1.00 0.00 C ATOM 1148 NH1 ARG A 94 -9.024 3.090 10.595 1.00 0.00 N ATOM 1149 NH2 ARG A 94 -9.718 4.316 12.439 1.00 0.00 N ATOM 0 H ARG A 94 -5.322 8.439 7.492 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.923 6.283 8.667 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.493 6.457 10.371 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.596 8.060 9.672 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.860 7.483 9.762 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.465 6.984 8.129 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.293 4.938 8.717 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.795 4.712 9.598 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.475 6.186 11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.521 3.035 9.710 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.501 2.267 10.962 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.743 5.194 12.958 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.195 3.493 12.806 1.00 0.00 H new ATOM 1163 N THR A 95 -6.370 5.596 6.628 1.00 0.00 N ATOM 1164 CA THR A 95 -7.054 4.533 5.911 1.00 0.00 C ATOM 1165 C THR A 95 -6.148 3.955 4.823 1.00 0.00 C ATOM 1166 O THR A 95 -6.222 2.766 4.516 1.00 0.00 O ATOM 1167 CB THR A 95 -8.370 5.098 5.371 1.00 0.00 C ATOM 1168 OG1 THR A 95 -9.221 5.150 6.513 1.00 0.00 O ATOM 1169 CG2 THR A 95 -9.078 4.127 4.424 1.00 0.00 C ATOM 0 H THR A 95 -6.568 6.537 6.287 1.00 0.00 H new ATOM 0 HA THR A 95 -7.289 3.698 6.571 1.00 0.00 H new ATOM 0 HB THR A 95 -8.176 6.037 4.852 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.096 5.507 6.253 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.006 4.576 4.069 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.431 3.911 3.574 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.302 3.201 4.953 1.00 0.00 H new ATOM 1177 N TYR A 96 -5.314 4.822 4.269 1.00 0.00 N ATOM 1178 CA TYR A 96 -4.394 4.413 3.222 1.00 0.00 C ATOM 1179 C TYR A 96 -3.236 3.596 3.797 1.00 0.00 C ATOM 1180 O TYR A 96 -2.768 2.648 3.169 1.00 0.00 O ATOM 1181 CB TYR A 96 -3.841 5.705 2.618 1.00 0.00 C ATOM 1182 CG TYR A 96 -2.603 5.502 1.743 1.00 0.00 C ATOM 1183 CD1 TYR A 96 -2.743 5.242 0.395 1.00 0.00 C ATOM 1184 CD2 TYR A 96 -1.342 5.580 2.303 1.00 0.00 C ATOM 1185 CE1 TYR A 96 -1.578 5.051 -0.428 1.00 0.00 C ATOM 1186 CE2 TYR A 96 -0.176 5.389 1.479 1.00 0.00 C ATOM 1187 CZ TYR A 96 -0.351 5.134 0.154 1.00 0.00 C ATOM 1188 OH TYR A 96 0.749 4.953 -0.623 1.00 0.00 O ATOM 0 H TYR A 96 -5.256 5.807 4.526 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.903 3.792 2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.621 6.178 2.022 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.594 6.395 3.425 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.728 5.182 -0.043 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.231 5.784 3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.675 4.846 -1.484 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.815 5.447 1.904 1.00 0.00 H new ATOM 0 HH TYR A 96 0.566 5.278 -1.529 1.00 0.00 H new ATOM 1198 N ASN A 97 -2.807 3.993 4.986 1.00 0.00 N ATOM 1199 CA ASN A 97 -1.712 3.310 5.653 1.00 0.00 C ATOM 1200 C ASN A 97 -2.206 1.963 6.185 1.00 0.00 C ATOM 1201 O ASN A 97 -1.499 0.960 6.098 1.00 0.00 O ATOM 1202 CB ASN A 97 -1.195 4.125 6.840 1.00 0.00 C ATOM 1203 CG ASN A 97 0.256 4.558 6.619 1.00 0.00 C ATOM 1204 OD1 ASN A 97 1.122 3.767 6.288 1.00 0.00 O ATOM 1205 ND2 ASN A 97 0.468 5.856 6.818 1.00 0.00 N ATOM 0 H ASN A 97 -3.198 4.779 5.505 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.908 3.177 4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.823 5.005 6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.266 3.532 7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.403 6.245 6.694 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.304 6.462 7.095 1.00 0.00 H new ATOM 1212 N ASP A 98 -3.417 1.982 6.723 1.00 0.00 N ATOM 1213 CA ASP A 98 -4.014 0.775 7.268 1.00 0.00 C ATOM 1214 C ASP A 98 -4.134 -0.274 6.160 1.00 0.00 C ATOM 1215 O ASP A 98 -3.924 -1.462 6.401 1.00 0.00 O ATOM 1216 CB ASP A 98 -5.417 1.051 7.812 1.00 0.00 C ATOM 1217 CG ASP A 98 -5.957 -0.008 8.775 1.00 0.00 C ATOM 1218 OD1 ASP A 98 -5.282 -0.237 9.802 1.00 0.00 O ATOM 1219 OD2 ASP A 98 -7.032 -0.564 8.462 1.00 0.00 O ATOM 0 H ASP A 98 -4.001 2.815 6.793 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.377 0.420 8.078 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.410 2.014 8.322 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.105 1.141 6.971 1.00 0.00 H new ATOM 1224 N PHE A 99 -4.470 0.203 4.971 1.00 0.00 N ATOM 1225 CA PHE A 99 -4.621 -0.679 3.826 1.00 0.00 C ATOM 1226 C PHE A 99 -3.291 -1.342 3.467 1.00 0.00 C ATOM 1227 O PHE A 99 -3.245 -2.540 3.193 1.00 0.00 O ATOM 1228 CB PHE A 99 -5.081 0.187 2.652 1.00 0.00 C ATOM 1229 CG PHE A 99 -5.008 -0.514 1.295 1.00 0.00 C ATOM 1230 CD1 PHE A 99 -3.862 -0.466 0.564 1.00 0.00 C ATOM 1231 CD2 PHE A 99 -6.090 -1.189 0.820 1.00 0.00 C ATOM 1232 CE1 PHE A 99 -3.796 -1.118 -0.695 1.00 0.00 C ATOM 1233 CE2 PHE A 99 -6.022 -1.841 -0.440 1.00 0.00 C ATOM 1234 CZ PHE A 99 -4.877 -1.792 -1.171 1.00 0.00 C ATOM 0 H PHE A 99 -4.642 1.189 4.775 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.338 -1.467 4.055 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.108 0.506 2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.469 1.088 2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.003 0.068 0.941 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.000 -1.229 1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.886 -1.079 -1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.881 -2.376 -0.818 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.826 -2.288 -2.129 1.00 0.00 H new ATOM 1244 N ILE A 100 -2.241 -0.534 3.477 1.00 0.00 N ATOM 1245 CA ILE A 100 -0.912 -1.028 3.156 1.00 0.00 C ATOM 1246 C ILE A 100 -0.369 -1.828 4.341 1.00 0.00 C ATOM 1247 O ILE A 100 0.299 -2.843 4.155 1.00 0.00 O ATOM 1248 CB ILE A 100 -0.003 0.125 2.724 1.00 0.00 C ATOM 1249 CG1 ILE A 100 -0.642 0.934 1.593 1.00 0.00 C ATOM 1250 CG2 ILE A 100 1.389 -0.388 2.347 1.00 0.00 C ATOM 1251 CD1 ILE A 100 -0.677 0.126 0.294 1.00 0.00 C ATOM 0 H ILE A 100 -2.283 0.460 3.702 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.953 -1.708 2.305 1.00 0.00 H new ATOM 0 HB ILE A 100 0.120 0.800 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.655 1.222 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.081 1.855 1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.016 0.450 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.839 -0.885 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.305 -1.095 1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.136 0.723 -0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.339 -0.139 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.260 -0.783 0.446 1.00 0.00 H new ATOM 1263 N GLU A 101 -0.677 -1.341 5.534 1.00 0.00 N ATOM 1264 CA GLU A 101 -0.228 -1.999 6.749 1.00 0.00 C ATOM 1265 C GLU A 101 -0.667 -3.463 6.754 1.00 0.00 C ATOM 1266 O GLU A 101 0.047 -4.329 7.258 1.00 0.00 O ATOM 1267 CB GLU A 101 -0.744 -1.268 7.991 1.00 0.00 C ATOM 1268 CG GLU A 101 0.394 -0.547 8.716 1.00 0.00 C ATOM 1269 CD GLU A 101 -0.070 0.810 9.251 1.00 0.00 C ATOM 1270 OE1 GLU A 101 -0.743 1.525 8.477 1.00 0.00 O ATOM 1271 OE2 GLU A 101 0.260 1.101 10.421 1.00 0.00 O ATOM 0 H GLU A 101 -1.232 -0.499 5.685 1.00 0.00 H new ATOM 0 HA GLU A 101 0.861 -1.967 6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.509 -0.548 7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.216 -1.981 8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.753 -1.163 9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 101 1.233 -0.406 8.034 1.00 0.00 H new ATOM 1278 N LYS A 102 -1.841 -3.699 6.183 1.00 0.00 N ATOM 1279 CA LYS A 102 -2.383 -5.045 6.114 1.00 0.00 C ATOM 1280 C LYS A 102 -1.907 -5.717 4.826 1.00 0.00 C ATOM 1281 O LYS A 102 -1.973 -6.938 4.697 1.00 0.00 O ATOM 1282 CB LYS A 102 -3.906 -5.017 6.268 1.00 0.00 C ATOM 1283 CG LYS A 102 -4.346 -5.803 7.504 1.00 0.00 C ATOM 1284 CD LYS A 102 -4.517 -4.878 8.710 1.00 0.00 C ATOM 1285 CE LYS A 102 -5.847 -4.124 8.637 1.00 0.00 C ATOM 1286 NZ LYS A 102 -6.457 -4.019 9.983 1.00 0.00 N ATOM 0 H LYS A 102 -2.431 -2.980 5.764 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.013 -5.648 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.248 -3.985 6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.373 -5.440 5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.286 -6.315 7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -3.608 -6.571 7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.476 -5.462 9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.692 -4.166 8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.685 -3.128 8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.529 -4.641 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.359 -3.505 9.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.629 -4.972 10.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.812 -3.506 10.617 1.00 0.00 H new ATOM 1300 N LEU A 103 -1.438 -4.889 3.903 1.00 0.00 N ATOM 1301 CA LEU A 103 -0.952 -5.387 2.629 1.00 0.00 C ATOM 1302 C LEU A 103 0.544 -5.690 2.741 1.00 0.00 C ATOM 1303 O LEU A 103 1.104 -6.393 1.901 1.00 0.00 O ATOM 1304 CB LEU A 103 -1.299 -4.412 1.502 1.00 0.00 C ATOM 1305 CG LEU A 103 -2.259 -4.936 0.432 1.00 0.00 C ATOM 1306 CD1 LEU A 103 -3.665 -5.130 1.005 1.00 0.00 C ATOM 1307 CD2 LEU A 103 -2.261 -4.023 -0.796 1.00 0.00 C ATOM 0 H LEU A 103 -1.385 -3.876 4.013 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.449 -6.322 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.734 -3.516 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.373 -4.108 1.014 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.907 -5.914 0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.328 -5.503 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.628 -5.849 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.042 -4.177 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.951 -4.418 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.576 -3.021 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.257 -3.979 -1.218 1.00 0.00 H new ATOM 1319 N THR A 104 1.149 -5.142 3.785 1.00 0.00 N ATOM 1320 CA THR A 104 2.568 -5.342 4.018 1.00 0.00 C ATOM 1321 C THR A 104 2.800 -5.958 5.399 1.00 0.00 C ATOM 1322 O THR A 104 3.615 -6.866 5.549 1.00 0.00 O ATOM 1323 CB THR A 104 3.274 -3.999 3.825 1.00 0.00 C ATOM 1324 OG1 THR A 104 2.599 -3.120 4.720 1.00 0.00 O ATOM 1325 CG2 THR A 104 3.016 -3.395 2.444 1.00 0.00 C ATOM 0 H THR A 104 0.681 -4.559 4.479 1.00 0.00 H new ATOM 0 HA THR A 104 2.989 -6.051 3.305 1.00 0.00 H new ATOM 0 HB THR A 104 4.347 -4.129 3.969 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.775 -2.796 4.300 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.540 -2.443 2.360 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.378 -4.078 1.675 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.946 -3.233 2.312 1.00 0.00 H new ATOM 1333 N GLY A 105 2.067 -5.438 6.374 1.00 0.00 N ATOM 1334 CA GLY A 105 2.183 -5.925 7.739 1.00 0.00 C ATOM 1335 C GLY A 105 3.013 -4.967 8.593 1.00 0.00 C ATOM 1336 O GLY A 105 2.754 -4.809 9.785 1.00 0.00 O ATOM 0 H GLY A 105 1.391 -4.685 6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.190 -6.039 8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.646 -6.912 7.739 1.00 0.00 H new ATOM 1340 N TYR A 106 3.996 -4.351 7.951 1.00 0.00 N ATOM 1341 CA TYR A 106 4.866 -3.413 8.639 1.00 0.00 C ATOM 1342 C TYR A 106 4.078 -2.203 9.143 1.00 0.00 C ATOM 1343 O TYR A 106 3.100 -1.793 8.523 1.00 0.00 O ATOM 1344 CB TYR A 106 5.887 -2.944 7.600 1.00 0.00 C ATOM 1345 CG TYR A 106 7.056 -3.910 7.396 1.00 0.00 C ATOM 1346 CD1 TYR A 106 6.886 -5.049 6.636 1.00 0.00 C ATOM 1347 CD2 TYR A 106 8.281 -3.639 7.971 1.00 0.00 C ATOM 1348 CE1 TYR A 106 7.987 -5.957 6.445 1.00 0.00 C ATOM 1349 CE2 TYR A 106 9.382 -4.548 7.780 1.00 0.00 C ATOM 1350 CZ TYR A 106 9.181 -5.661 7.025 1.00 0.00 C ATOM 1351 OH TYR A 106 10.220 -6.519 6.846 1.00 0.00 O ATOM 0 H TYR A 106 4.208 -4.484 6.962 1.00 0.00 H new ATOM 0 HA TYR A 106 5.335 -3.887 9.502 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.379 -2.798 6.647 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.280 -1.974 7.904 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.928 -5.259 6.185 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.414 -2.746 8.564 1.00 0.00 H new ATOM 0 HE1 TYR A 106 7.867 -6.853 5.854 1.00 0.00 H new ATOM 0 HE2 TYR A 106 10.345 -4.350 8.226 1.00 0.00 H new ATOM 0 HH TYR A 106 11.010 -6.179 7.317 1.00 0.00 H new