USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 686 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 Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2.6!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -9:sc= -2.06 USER MOD Single : A 12 HIS : no HD1:sc= -0.525 X(o=-0.52,f=-0.21) USER MOD Single : A 23 THR OG1 : rot -90:sc= -0.627 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -171:sc= -1.52 USER MOD Single : A 31 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.6!) USER MOD Single : A 38 LYS NZ :NH3+ 146:sc= 0.899 (180deg=0.262) USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= 0.0975 (180deg=0.0579) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -125:sc= -0.0232 (180deg=-0.515) USER MOD Single : A 51 THR OG1 : rot 129:sc= -2.67 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 85:sc= -0.832 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.0655 X(o=-0.065,f=-0.15) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 79.030 12.915 -3.436 1.00 0.40 N ATOM 33 CA VAL A 3 78.043 11.814 -3.286 1.00 0.33 C ATOM 34 C VAL A 3 76.915 11.994 -4.310 1.00 0.31 C ATOM 35 O VAL A 3 76.476 13.101 -4.568 1.00 0.37 O ATOM 36 CB VAL A 3 77.550 11.915 -1.824 1.00 0.36 C ATOM 37 CG1 VAL A 3 76.533 13.056 -1.631 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.901 10.590 -1.420 1.00 0.30 C ATOM 0 HA VAL A 3 78.461 10.825 -3.476 1.00 0.33 H new ATOM 0 HB VAL A 3 78.414 12.131 -1.196 1.00 0.36 H new ATOM 0 HG11 VAL A 3 76.215 13.088 -0.589 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.997 14.006 -1.898 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.666 12.883 -2.269 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.551 10.655 -0.390 1.00 0.30 H new ATOM 0 HG22 VAL A 3 76.056 10.383 -2.077 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.632 9.786 -1.505 1.00 0.30 H new ATOM 48 N LEU A 4 76.498 10.928 -4.929 1.00 0.26 N ATOM 49 CA LEU A 4 75.451 11.034 -5.991 1.00 0.28 C ATOM 50 C LEU A 4 74.046 11.013 -5.365 1.00 0.28 C ATOM 51 O LEU A 4 73.091 11.461 -5.972 1.00 0.30 O ATOM 52 CB LEU A 4 75.670 9.816 -6.912 1.00 0.27 C ATOM 53 CG LEU A 4 77.154 9.683 -7.339 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.284 8.578 -8.387 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.678 11.006 -7.929 1.00 0.37 C ATOM 0 H LEU A 4 76.836 9.983 -4.748 1.00 0.26 H new ATOM 0 HA LEU A 4 75.527 11.968 -6.547 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.356 8.908 -6.396 1.00 0.27 H new ATOM 0 HB3 LEU A 4 75.043 9.912 -7.798 1.00 0.27 H new ATOM 0 HG LEU A 4 77.746 9.437 -6.457 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.327 8.483 -8.688 1.00 0.36 H new ATOM 0 HD12 LEU A 4 76.941 7.634 -7.964 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.676 8.828 -9.257 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.721 10.886 -8.221 1.00 0.37 H new ATOM 0 HD22 LEU A 4 77.085 11.274 -8.803 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.599 11.795 -7.181 1.00 0.37 H new ATOM 67 N ALA A 5 73.924 10.556 -4.135 1.00 0.25 N ATOM 68 CA ALA A 5 72.598 10.577 -3.439 1.00 0.25 C ATOM 69 C ALA A 5 72.782 10.180 -1.972 1.00 0.23 C ATOM 70 O ALA A 5 73.727 9.498 -1.625 1.00 0.25 O ATOM 71 CB ALA A 5 71.733 9.544 -4.168 1.00 0.26 C ATOM 0 H ALA A 5 74.691 10.169 -3.585 1.00 0.25 H new ATOM 0 HA ALA A 5 72.138 11.565 -3.457 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.745 9.507 -3.709 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.635 9.826 -5.216 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.202 8.563 -4.098 1.00 0.26 H new ATOM 77 N LYS A 6 71.884 10.600 -1.115 1.00 0.22 N ATOM 78 CA LYS A 6 71.995 10.248 0.334 1.00 0.22 C ATOM 79 C LYS A 6 70.645 9.754 0.861 1.00 0.21 C ATOM 80 O LYS A 6 69.639 10.428 0.727 1.00 0.23 O ATOM 81 CB LYS A 6 72.392 11.554 1.025 1.00 0.24 C ATOM 82 CG LYS A 6 72.604 11.302 2.519 1.00 1.40 C ATOM 83 CD LYS A 6 72.703 12.641 3.254 1.00 1.50 C ATOM 84 CE LYS A 6 74.012 13.338 2.875 1.00 1.79 C ATOM 85 NZ LYS A 6 73.670 14.786 2.808 1.00 2.30 N ATOM 0 H LYS A 6 71.076 11.173 -1.358 1.00 0.22 H new ATOM 0 HA LYS A 6 72.718 9.452 0.514 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.305 11.950 0.580 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.615 12.305 0.879 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.778 10.715 2.920 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.513 10.721 2.675 1.00 1.40 H new ATOM 0 HD2 LYS A 6 71.854 13.273 2.995 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.663 12.480 4.331 1.00 1.50 H new ATOM 0 HE2 LYS A 6 74.789 13.149 3.616 1.00 1.79 H new ATOM 0 HE3 LYS A 6 74.389 12.977 1.918 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 74.518 15.332 2.553 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 72.933 14.936 2.090 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 73.320 15.103 3.735 1.00 2.30 H new ATOM 99 N PHE A 7 70.620 8.594 1.476 1.00 0.19 N ATOM 100 CA PHE A 7 69.337 8.067 2.037 1.00 0.19 C ATOM 101 C PHE A 7 69.602 7.192 3.270 1.00 0.17 C ATOM 102 O PHE A 7 70.722 6.798 3.525 1.00 0.16 O ATOM 103 CB PHE A 7 68.709 7.262 0.890 1.00 0.20 C ATOM 104 CG PHE A 7 69.585 6.087 0.511 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.809 6.303 -0.206 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.188 4.755 0.866 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.637 5.187 -0.566 1.00 0.19 C ATOM 108 CE2 PHE A 7 70.016 3.639 0.506 1.00 0.20 C ATOM 109 CZ PHE A 7 71.239 3.854 -0.209 1.00 0.20 C ATOM 0 H PHE A 7 71.432 7.992 1.613 1.00 0.19 H new ATOM 0 HA PHE A 7 68.672 8.861 2.378 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.723 6.905 1.188 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.565 7.908 0.024 1.00 0.20 H new ATOM 0 HD1 PHE A 7 71.107 7.306 -0.475 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.266 4.592 1.404 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.559 5.350 -1.105 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.717 2.637 0.774 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.861 3.014 -0.479 1.00 0.20 H new ATOM 119 N HIS A 8 68.591 6.951 4.068 1.00 0.18 N ATOM 120 CA HIS A 8 68.786 6.171 5.332 1.00 0.18 C ATOM 121 C HIS A 8 68.053 4.828 5.247 1.00 0.17 C ATOM 122 O HIS A 8 66.926 4.752 4.794 1.00 0.18 O ATOM 123 CB HIS A 8 68.174 7.043 6.428 1.00 0.20 C ATOM 124 CG HIS A 8 68.945 8.329 6.539 1.00 0.77 C ATOM 125 ND1 HIS A 8 68.598 9.462 5.820 1.00 1.41 N ATOM 126 CD2 HIS A 8 70.045 8.678 7.282 1.00 1.61 C ATOM 127 CE1 HIS A 8 69.475 10.431 6.143 1.00 1.81 C ATOM 128 NE2 HIS A 8 70.378 10.006 7.030 1.00 1.99 N ATOM 0 H HIS A 8 67.634 7.262 3.898 1.00 0.18 H new ATOM 0 HA HIS A 8 69.836 5.948 5.522 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.129 7.252 6.199 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.192 6.513 7.380 1.00 0.20 H new ATOM 0 HD2 HIS A 8 70.572 8.022 7.959 1.00 1.61 H new ATOM 0 HE1 HIS A 8 69.451 11.430 5.734 1.00 1.81 H new ATOM 0 HE2 HIS A 8 71.147 10.540 7.436 1.00 1.99 H new ATOM 136 N THR A 9 68.674 3.781 5.727 1.00 0.16 N ATOM 137 CA THR A 9 68.016 2.437 5.739 1.00 0.17 C ATOM 138 C THR A 9 68.553 1.610 6.918 1.00 0.16 C ATOM 139 O THR A 9 69.618 1.895 7.431 1.00 0.15 O ATOM 140 CB THR A 9 68.365 1.802 4.375 1.00 0.17 C ATOM 141 OG1 THR A 9 67.615 0.608 4.209 1.00 0.18 O ATOM 142 CG2 THR A 9 69.863 1.479 4.288 1.00 0.17 C ATOM 0 H THR A 9 69.617 3.799 6.115 1.00 0.16 H new ATOM 0 HA THR A 9 66.935 2.491 5.871 1.00 0.17 H new ATOM 0 HB THR A 9 68.119 2.513 3.587 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.832 0.203 3.344 1.00 0.18 H new ATOM 0 HG21 THR A 9 70.083 1.033 3.318 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.440 2.396 4.405 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.131 0.778 5.079 1.00 0.17 H new ATOM 150 N THR A 10 67.862 0.564 7.307 1.00 0.17 N ATOM 151 CA THR A 10 68.387 -0.308 8.407 1.00 0.17 C ATOM 152 C THR A 10 68.806 -1.673 7.841 1.00 0.17 C ATOM 153 O THR A 10 68.412 -2.047 6.751 1.00 0.17 O ATOM 154 CB THR A 10 67.243 -0.417 9.451 1.00 0.17 C ATOM 155 OG1 THR A 10 67.771 -0.897 10.675 1.00 0.17 O ATOM 156 CG2 THR A 10 66.136 -1.376 8.997 1.00 0.17 C ATOM 0 H THR A 10 66.965 0.278 6.915 1.00 0.17 H new ATOM 0 HA THR A 10 69.279 0.105 8.878 1.00 0.17 H new ATOM 0 HB THR A 10 66.812 0.577 9.567 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.697 -1.187 10.540 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.358 -1.420 9.759 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.707 -1.019 8.060 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.555 -2.371 8.848 1.00 0.17 H new ATOM 164 N VAL A 11 69.650 -2.377 8.549 1.00 0.17 N ATOM 165 CA VAL A 11 70.163 -3.682 8.030 1.00 0.17 C ATOM 166 C VAL A 11 69.123 -4.785 8.243 1.00 0.17 C ATOM 167 O VAL A 11 68.595 -4.950 9.324 1.00 0.17 O ATOM 168 CB VAL A 11 71.436 -3.975 8.841 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.061 -5.292 8.363 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.445 -2.833 8.651 1.00 0.49 C ATOM 0 H VAL A 11 70.007 -2.105 9.465 1.00 0.17 H new ATOM 0 HA VAL A 11 70.368 -3.642 6.960 1.00 0.17 H new ATOM 0 HB VAL A 11 71.177 -4.058 9.896 1.00 0.21 H new ATOM 0 HG11 VAL A 11 72.963 -5.497 8.940 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.348 -6.105 8.503 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.316 -5.211 7.306 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.346 -3.044 9.227 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.702 -2.746 7.595 1.00 0.49 H new ATOM 0 HG23 VAL A 11 72.005 -1.897 8.996 1.00 0.49 H new ATOM 180 N HIS A 12 68.922 -5.600 7.244 1.00 0.21 N ATOM 181 CA HIS A 12 68.029 -6.787 7.390 1.00 0.25 C ATOM 182 C HIS A 12 68.848 -8.063 7.234 1.00 0.25 C ATOM 183 O HIS A 12 70.032 -8.022 6.962 1.00 0.25 O ATOM 184 CB HIS A 12 66.987 -6.684 6.279 1.00 0.26 C ATOM 185 CG HIS A 12 65.856 -5.808 6.739 1.00 0.31 C ATOM 186 ND1 HIS A 12 66.033 -4.465 7.031 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.528 -6.070 6.972 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.842 -3.974 7.418 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.890 -4.910 7.400 1.00 0.56 N ATOM 0 H HIS A 12 69.343 -5.493 6.321 1.00 0.21 H new ATOM 0 HA HIS A 12 67.551 -6.814 8.369 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.439 -6.270 5.378 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.613 -7.675 6.022 1.00 0.26 H new ATOM 0 HD2 HIS A 12 64.051 -7.030 6.843 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.676 -2.947 7.708 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.907 -4.799 7.647 1.00 0.56 H new ATOM 197 N ARG A 13 68.244 -9.194 7.495 1.00 0.29 N ATOM 198 CA ARG A 13 68.989 -10.503 7.466 1.00 0.32 C ATOM 199 C ARG A 13 69.875 -10.636 6.213 1.00 0.29 C ATOM 200 O ARG A 13 69.653 -9.987 5.210 1.00 0.24 O ATOM 201 CB ARG A 13 67.887 -11.561 7.440 1.00 0.36 C ATOM 202 CG ARG A 13 67.175 -11.596 8.794 1.00 0.72 C ATOM 203 CD ARG A 13 66.145 -12.729 8.802 1.00 1.16 C ATOM 204 NE ARG A 13 65.364 -12.540 10.066 1.00 1.81 N ATOM 205 CZ ARG A 13 64.155 -13.052 10.221 1.00 2.39 C ATOM 206 NH1 ARG A 13 63.571 -13.758 9.276 1.00 2.96 N ATOM 207 NH2 ARG A 13 63.522 -12.853 11.343 1.00 2.76 N ATOM 0 H ARG A 13 67.255 -9.274 7.730 1.00 0.29 H new ATOM 0 HA ARG A 13 69.662 -10.598 8.318 1.00 0.32 H new ATOM 0 HB2 ARG A 13 67.172 -11.337 6.648 1.00 0.36 H new ATOM 0 HB3 ARG A 13 68.313 -12.539 7.217 1.00 0.36 H new ATOM 0 HG2 ARG A 13 67.900 -11.744 9.594 1.00 0.72 H new ATOM 0 HG3 ARG A 13 66.683 -10.642 8.983 1.00 0.72 H new ATOM 0 HD2 ARG A 13 65.497 -12.678 7.927 1.00 1.16 H new ATOM 0 HD3 ARG A 13 66.632 -13.704 8.782 1.00 1.16 H new ATOM 0 HE ARG A 13 65.776 -12.002 10.828 1.00 1.81 H new ATOM 0 HH11 ARG A 13 64.052 -13.924 8.392 1.00 2.96 H new ATOM 0 HH12 ARG A 13 62.637 -14.139 9.428 1.00 2.96 H new ATOM 0 HH21 ARG A 13 63.960 -12.309 12.086 1.00 2.76 H new ATOM 0 HH22 ARG A 13 62.589 -13.241 11.478 1.00 2.76 H new ATOM 221 N ILE A 14 70.945 -11.395 6.318 1.00 0.34 N ATOM 222 CA ILE A 14 71.958 -11.523 5.203 1.00 0.34 C ATOM 223 C ILE A 14 72.651 -10.183 4.873 1.00 0.28 C ATOM 224 O ILE A 14 73.400 -10.108 3.915 1.00 0.29 O ATOM 225 CB ILE A 14 71.199 -12.036 3.963 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.426 -13.314 4.304 1.00 0.31 C ATOM 227 CG2 ILE A 14 72.201 -12.344 2.851 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.449 -13.627 3.169 1.00 0.36 C ATOM 0 H ILE A 14 71.167 -11.945 7.147 1.00 0.34 H new ATOM 0 HA ILE A 14 72.747 -12.208 5.513 1.00 0.34 H new ATOM 0 HB ILE A 14 70.497 -11.269 3.636 1.00 0.36 H new ATOM 0 HG12 ILE A 14 71.117 -14.145 4.445 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.885 -13.187 5.242 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.669 -12.707 1.972 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.750 -11.438 2.594 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.900 -13.107 3.193 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.896 -14.536 3.406 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.751 -12.798 3.050 1.00 0.36 H new ATOM 0 HD13 ILE A 14 70.003 -13.771 2.241 1.00 0.36 H new ATOM 240 N GLY A 15 72.431 -9.136 5.645 1.00 0.24 N ATOM 241 CA GLY A 15 73.105 -7.832 5.352 1.00 0.20 C ATOM 242 C GLY A 15 72.404 -7.116 4.188 1.00 0.17 C ATOM 243 O GLY A 15 72.977 -6.236 3.569 1.00 0.15 O ATOM 0 H GLY A 15 71.817 -9.133 6.459 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.088 -7.199 6.239 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.152 -8.004 5.103 1.00 0.20 H new ATOM 247 N ARG A 16 71.200 -7.521 3.841 1.00 0.18 N ATOM 248 CA ARG A 16 70.500 -6.902 2.674 1.00 0.18 C ATOM 249 C ARG A 16 69.772 -5.626 3.107 1.00 0.19 C ATOM 250 O ARG A 16 69.157 -5.585 4.154 1.00 0.24 O ATOM 251 CB ARG A 16 69.504 -7.968 2.205 1.00 0.26 C ATOM 252 CG ARG A 16 68.739 -7.464 0.978 1.00 0.26 C ATOM 253 CD ARG A 16 67.873 -8.596 0.419 1.00 0.76 C ATOM 254 NE ARG A 16 66.853 -8.862 1.482 1.00 0.91 N ATOM 255 CZ ARG A 16 65.793 -8.090 1.640 1.00 1.31 C ATOM 256 NH1 ARG A 16 65.573 -7.044 0.874 1.00 1.96 N ATOM 257 NH2 ARG A 16 64.938 -8.373 2.585 1.00 1.41 N ATOM 0 H ARG A 16 70.676 -8.254 4.319 1.00 0.18 H new ATOM 0 HA ARG A 16 71.189 -6.612 1.880 1.00 0.18 H new ATOM 0 HB2 ARG A 16 70.033 -8.890 1.961 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.806 -8.204 3.008 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.114 -6.613 1.249 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.438 -7.116 0.217 1.00 0.26 H new ATOM 0 HD2 ARG A 16 67.400 -8.305 -0.519 1.00 0.76 H new ATOM 0 HD3 ARG A 16 68.469 -9.485 0.213 1.00 0.76 H new ATOM 0 HE ARG A 16 66.980 -9.662 2.102 1.00 0.91 H new ATOM 0 HH11 ARG A 16 66.231 -6.808 0.131 1.00 1.96 H new ATOM 0 HH12 ARG A 16 64.744 -6.468 1.023 1.00 1.96 H new ATOM 0 HH21 ARG A 16 65.094 -9.180 3.188 1.00 1.41 H new ATOM 0 HH22 ARG A 16 64.114 -7.787 2.720 1.00 1.41 H new ATOM 271 N ILE A 17 69.753 -4.630 2.257 1.00 0.18 N ATOM 272 CA ILE A 17 68.951 -3.400 2.543 1.00 0.21 C ATOM 273 C ILE A 17 68.143 -3.015 1.300 1.00 0.19 C ATOM 274 O ILE A 17 68.531 -3.329 0.190 1.00 0.15 O ATOM 275 CB ILE A 17 69.973 -2.310 2.905 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.928 -2.064 1.727 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.783 -2.750 4.127 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.727 -0.774 1.959 1.00 0.30 C ATOM 0 H ILE A 17 70.261 -4.616 1.373 1.00 0.18 H new ATOM 0 HA ILE A 17 68.239 -3.546 3.355 1.00 0.21 H new ATOM 0 HB ILE A 17 69.437 -1.388 3.130 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.609 -2.908 1.618 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.362 -1.989 0.799 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.507 -1.976 4.382 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.111 -2.910 4.970 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.309 -3.678 3.900 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.401 -0.608 1.119 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.041 0.068 2.046 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.307 -0.865 2.877 1.00 0.30 H new ATOM 290 N ILE A 18 67.075 -2.275 1.470 1.00 0.23 N ATOM 291 CA ILE A 18 66.297 -1.795 0.285 1.00 0.20 C ATOM 292 C ILE A 18 66.346 -0.271 0.212 1.00 0.20 C ATOM 293 O ILE A 18 65.998 0.410 1.160 1.00 0.22 O ATOM 294 CB ILE A 18 64.851 -2.263 0.506 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.799 -3.788 0.722 1.00 0.25 C ATOM 296 CG2 ILE A 18 64.005 -1.890 -0.718 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.411 -4.523 -0.476 1.00 0.24 C ATOM 0 H ILE A 18 66.709 -1.983 2.376 1.00 0.23 H new ATOM 0 HA ILE A 18 66.706 -2.186 -0.647 1.00 0.20 H new ATOM 0 HB ILE A 18 64.456 -1.773 1.396 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.339 -4.051 1.632 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.766 -4.106 0.862 1.00 0.25 H new ATOM 0 HG21 ILE A 18 62.978 -2.221 -0.565 1.00 0.22 H new ATOM 0 HG22 ILE A 18 64.021 -0.809 -0.856 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.414 -2.375 -1.604 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.365 -5.599 -0.305 1.00 0.24 H new ATOM 0 HD12 ILE A 18 64.853 -4.275 -1.379 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.451 -4.219 -0.597 1.00 0.24 H new ATOM 309 N ILE A 19 66.686 0.263 -0.934 1.00 0.17 N ATOM 310 CA ILE A 19 66.653 1.749 -1.105 1.00 0.17 C ATOM 311 C ILE A 19 65.206 2.202 -1.345 1.00 0.19 C ATOM 312 O ILE A 19 64.477 1.535 -2.048 1.00 0.17 O ATOM 313 CB ILE A 19 67.533 2.050 -2.329 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.957 1.510 -2.058 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.564 3.573 -2.553 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.938 1.936 -3.157 1.00 0.23 C ATOM 0 H ILE A 19 66.984 -0.262 -1.756 1.00 0.17 H new ATOM 0 HA ILE A 19 67.019 2.277 -0.224 1.00 0.17 H new ATOM 0 HB ILE A 19 67.135 1.569 -3.223 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.309 1.876 -1.093 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.929 0.422 -1.995 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.185 3.801 -3.419 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.551 3.936 -2.728 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.978 4.062 -1.671 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.929 1.539 -2.934 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.599 1.548 -4.118 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.985 3.024 -3.201 1.00 0.23 H new ATOM 328 N PRO A 20 64.854 3.371 -0.847 1.00 0.24 N ATOM 329 CA PRO A 20 63.506 3.930 -1.145 1.00 0.28 C ATOM 330 C PRO A 20 63.373 4.185 -2.638 1.00 0.26 C ATOM 331 O PRO A 20 64.318 4.585 -3.292 1.00 0.25 O ATOM 332 CB PRO A 20 63.488 5.241 -0.369 1.00 0.34 C ATOM 333 CG PRO A 20 64.934 5.592 -0.246 1.00 0.35 C ATOM 334 CD PRO A 20 65.627 4.287 0.012 1.00 0.29 C ATOM 0 HA PRO A 20 62.687 3.266 -0.868 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.931 6.014 -0.899 1.00 0.34 H new ATOM 0 HB3 PRO A 20 63.019 5.123 0.608 1.00 0.34 H new ATOM 0 HG2 PRO A 20 65.305 6.063 -1.156 1.00 0.35 H new ATOM 0 HG3 PRO A 20 65.102 6.296 0.569 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.680 4.320 -0.266 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.583 4.000 1.063 1.00 0.29 H new ATOM 342 N ALA A 21 62.209 3.949 -3.182 1.00 0.28 N ATOM 343 CA ALA A 21 62.003 4.152 -4.651 1.00 0.29 C ATOM 344 C ALA A 21 62.335 5.597 -5.044 1.00 0.31 C ATOM 345 O ALA A 21 62.694 5.874 -6.175 1.00 0.32 O ATOM 346 CB ALA A 21 60.520 3.861 -4.898 1.00 0.33 C ATOM 0 H ALA A 21 61.387 3.623 -2.673 1.00 0.28 H new ATOM 0 HA ALA A 21 62.649 3.504 -5.244 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.295 3.990 -5.957 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.296 2.836 -4.602 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.912 4.549 -4.311 1.00 0.33 H new ATOM 352 N GLY A 22 62.207 6.519 -4.117 1.00 0.34 N ATOM 353 CA GLY A 22 62.497 7.951 -4.435 1.00 0.38 C ATOM 354 C GLY A 22 63.974 8.120 -4.789 1.00 0.37 C ATOM 355 O GLY A 22 64.317 8.795 -5.746 1.00 0.39 O ATOM 0 H GLY A 22 61.915 6.340 -3.156 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.875 8.280 -5.268 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.245 8.580 -3.581 1.00 0.38 H new ATOM 359 N THR A 23 64.848 7.519 -4.023 1.00 0.34 N ATOM 360 CA THR A 23 66.312 7.653 -4.301 1.00 0.34 C ATOM 361 C THR A 23 66.668 6.901 -5.586 1.00 0.30 C ATOM 362 O THR A 23 67.467 7.366 -6.376 1.00 0.32 O ATOM 363 CB THR A 23 67.024 7.040 -3.086 1.00 0.34 C ATOM 364 OG1 THR A 23 66.668 7.758 -1.908 1.00 0.39 O ATOM 365 CG2 THR A 23 68.544 7.115 -3.278 1.00 0.37 C ATOM 0 H THR A 23 64.612 6.941 -3.216 1.00 0.34 H new ATOM 0 HA THR A 23 66.611 8.691 -4.447 1.00 0.34 H new ATOM 0 HB THR A 23 66.720 5.998 -2.988 1.00 0.34 H new ATOM 0 HG1 THR A 23 67.302 8.492 -1.768 1.00 0.39 H new ATOM 0 HG21 THR A 23 69.042 6.678 -2.412 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.825 6.563 -4.175 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.846 8.157 -3.383 1.00 0.37 H new ATOM 373 N ARG A 24 66.054 5.762 -5.824 1.00 0.26 N ATOM 374 CA ARG A 24 66.334 5.000 -7.096 1.00 0.25 C ATOM 375 C ARG A 24 66.071 5.899 -8.308 1.00 0.28 C ATOM 376 O ARG A 24 66.796 5.870 -9.283 1.00 0.29 O ATOM 377 CB ARG A 24 65.364 3.808 -7.151 1.00 0.25 C ATOM 378 CG ARG A 24 65.325 3.041 -5.826 1.00 0.23 C ATOM 379 CD ARG A 24 64.961 1.582 -6.095 1.00 0.24 C ATOM 380 NE ARG A 24 64.230 1.131 -4.872 1.00 0.27 N ATOM 381 CZ ARG A 24 63.388 0.113 -4.899 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.146 -0.567 -5.999 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.779 -0.227 -3.798 1.00 0.39 N ATOM 0 H ARG A 24 65.375 5.327 -5.199 1.00 0.26 H new ATOM 0 HA ARG A 24 67.372 4.667 -7.113 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.363 4.165 -7.393 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.664 3.133 -7.952 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.294 3.100 -5.330 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.595 3.491 -5.154 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.337 1.489 -6.984 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.852 0.979 -6.266 1.00 0.24 H new ATOM 0 HE ARG A 24 64.385 1.623 -3.992 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.615 -0.314 -6.869 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.489 -1.347 -5.982 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.956 0.290 -2.937 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.125 -1.010 -3.798 1.00 0.39 H new ATOM 397 N LYS A 25 64.994 6.647 -8.264 1.00 0.32 N ATOM 398 CA LYS A 25 64.621 7.505 -9.433 1.00 0.37 C ATOM 399 C LYS A 25 65.653 8.615 -9.626 1.00 0.38 C ATOM 400 O LYS A 25 66.162 8.823 -10.711 1.00 0.40 O ATOM 401 CB LYS A 25 63.244 8.094 -9.076 1.00 0.42 C ATOM 402 CG LYS A 25 62.761 9.038 -10.184 1.00 1.08 C ATOM 403 CD LYS A 25 62.596 8.256 -11.484 1.00 1.68 C ATOM 404 CE LYS A 25 62.016 9.169 -12.566 1.00 2.42 C ATOM 405 NZ LYS A 25 61.389 8.246 -13.553 1.00 2.97 N ATOM 0 H LYS A 25 64.357 6.700 -7.469 1.00 0.32 H new ATOM 0 HA LYS A 25 64.589 6.941 -10.365 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.523 7.289 -8.936 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.307 8.634 -8.131 1.00 0.42 H new ATOM 0 HG2 LYS A 25 61.813 9.495 -9.899 1.00 1.08 H new ATOM 0 HG3 LYS A 25 63.476 9.848 -10.323 1.00 1.08 H new ATOM 0 HD2 LYS A 25 63.559 7.861 -11.806 1.00 1.68 H new ATOM 0 HD3 LYS A 25 61.938 7.402 -11.325 1.00 1.68 H new ATOM 0 HE2 LYS A 25 61.282 9.859 -12.149 1.00 2.42 H new ATOM 0 HE3 LYS A 25 62.794 9.774 -13.031 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 60.969 8.799 -14.327 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 62.113 7.606 -13.938 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 60.647 7.688 -13.084 1.00 2.97 H new ATOM 419 N PHE A 26 65.960 9.322 -8.575 1.00 0.38 N ATOM 420 CA PHE A 26 66.951 10.448 -8.668 1.00 0.42 C ATOM 421 C PHE A 26 68.294 9.942 -9.205 1.00 0.42 C ATOM 422 O PHE A 26 68.996 10.646 -9.908 1.00 0.46 O ATOM 423 CB PHE A 26 67.107 10.964 -7.234 1.00 0.43 C ATOM 424 CG PHE A 26 68.023 12.165 -7.219 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.519 13.459 -7.578 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.401 12.009 -6.848 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.391 14.598 -7.564 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.273 13.148 -6.835 1.00 0.64 C ATOM 429 CZ PHE A 26 69.768 14.443 -7.193 1.00 0.67 C ATOM 0 H PHE A 26 65.568 9.173 -7.645 1.00 0.38 H new ATOM 0 HA PHE A 26 66.615 11.230 -9.350 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.132 11.233 -6.827 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.513 10.178 -6.597 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.483 13.576 -7.859 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.781 11.035 -6.579 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.011 15.572 -7.833 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.310 13.031 -6.556 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.425 15.300 -7.183 1.00 0.67 H new ATOM 439 N TYR A 27 68.677 8.757 -8.817 1.00 0.39 N ATOM 440 CA TYR A 27 70.012 8.214 -9.227 1.00 0.42 C ATOM 441 C TYR A 27 69.926 7.481 -10.580 1.00 0.35 C ATOM 442 O TYR A 27 70.935 7.245 -11.219 1.00 0.37 O ATOM 443 CB TYR A 27 70.371 7.242 -8.099 1.00 0.46 C ATOM 444 CG TYR A 27 71.788 6.735 -8.245 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.118 5.772 -9.259 1.00 0.85 C ATOM 446 CD2 TYR A 27 72.799 7.195 -7.341 1.00 0.95 C ATOM 447 CE1 TYR A 27 73.460 5.277 -9.368 1.00 1.10 C ATOM 448 CE2 TYR A 27 74.137 6.692 -7.446 1.00 1.16 C ATOM 449 CZ TYR A 27 74.467 5.734 -8.457 1.00 1.18 C ATOM 450 OH TYR A 27 75.751 5.247 -8.548 1.00 1.44 O ATOM 0 H TYR A 27 68.122 8.134 -8.230 1.00 0.39 H new ATOM 0 HA TYR A 27 70.758 8.997 -9.365 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.258 7.740 -7.136 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.678 6.401 -8.106 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.356 5.421 -9.939 1.00 0.85 H new ATOM 0 HD2 TYR A 27 72.553 7.921 -6.580 1.00 0.95 H new ATOM 0 HE1 TYR A 27 73.711 4.560 -10.136 1.00 1.10 H new ATOM 0 HE2 TYR A 27 74.898 7.036 -6.761 1.00 1.16 H new ATOM 0 HH TYR A 27 76.271 5.548 -7.774 1.00 1.44 H new ATOM 460 N GLY A 28 68.734 7.168 -11.051 1.00 0.31 N ATOM 461 CA GLY A 28 68.602 6.501 -12.383 1.00 0.29 C ATOM 462 C GLY A 28 69.004 5.026 -12.261 1.00 0.26 C ATOM 463 O GLY A 28 69.742 4.512 -13.083 1.00 0.27 O ATOM 0 H GLY A 28 67.854 7.347 -10.568 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.575 6.580 -12.741 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.235 7.002 -13.116 1.00 0.29 H new ATOM 467 N ILE A 29 68.582 4.365 -11.208 1.00 0.24 N ATOM 468 CA ILE A 29 69.001 2.943 -10.987 1.00 0.23 C ATOM 469 C ILE A 29 68.017 1.980 -11.656 1.00 0.20 C ATOM 470 O ILE A 29 66.836 1.976 -11.356 1.00 0.22 O ATOM 471 CB ILE A 29 68.998 2.738 -9.463 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.972 3.723 -8.817 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.431 1.305 -9.128 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.902 3.622 -7.289 1.00 0.42 C ATOM 0 H ILE A 29 67.965 4.749 -10.492 1.00 0.24 H new ATOM 0 HA ILE A 29 69.982 2.745 -11.419 1.00 0.23 H new ATOM 0 HB ILE A 29 67.992 2.909 -9.081 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.987 3.515 -9.155 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.733 4.739 -9.132 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.427 1.167 -8.047 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.739 0.599 -9.587 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.436 1.129 -9.512 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.602 4.330 -6.845 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.891 3.854 -6.955 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.164 2.610 -6.979 1.00 0.42 H new ATOM 486 N GLU A 30 68.534 1.062 -12.431 1.00 0.17 N ATOM 487 CA GLU A 30 67.688 -0.036 -12.982 1.00 0.18 C ATOM 488 C GLU A 30 68.353 -1.381 -12.683 1.00 0.17 C ATOM 489 O GLU A 30 69.542 -1.443 -12.421 1.00 0.18 O ATOM 490 CB GLU A 30 67.630 0.215 -14.491 1.00 0.22 C ATOM 491 CG GLU A 30 66.980 1.579 -14.759 1.00 1.06 C ATOM 492 CD GLU A 30 66.843 1.818 -16.272 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.537 1.161 -17.034 1.00 1.37 O ATOM 494 OE2 GLU A 30 66.048 2.666 -16.641 1.00 1.82 O ATOM 0 H GLU A 30 69.515 1.027 -12.708 1.00 0.17 H new ATOM 0 HA GLU A 30 66.689 -0.058 -12.546 1.00 0.18 H new ATOM 0 HB2 GLU A 30 68.635 0.190 -14.913 1.00 0.22 H new ATOM 0 HB3 GLU A 30 67.059 -0.574 -14.980 1.00 0.22 H new ATOM 0 HG2 GLU A 30 65.998 1.620 -14.287 1.00 1.06 H new ATOM 0 HG3 GLU A 30 67.582 2.370 -14.312 1.00 1.06 H new ATOM 501 N GLN A 31 67.602 -2.456 -12.710 1.00 0.20 N ATOM 502 CA GLN A 31 68.199 -3.801 -12.412 1.00 0.20 C ATOM 503 C GLN A 31 69.351 -4.102 -13.377 1.00 0.19 C ATOM 504 O GLN A 31 69.263 -3.842 -14.563 1.00 0.20 O ATOM 505 CB GLN A 31 67.061 -4.805 -12.610 1.00 0.25 C ATOM 506 CG GLN A 31 65.997 -4.592 -11.528 1.00 1.08 C ATOM 507 CD GLN A 31 64.797 -5.519 -11.775 1.00 1.10 C ATOM 508 OE1 GLN A 31 64.773 -6.278 -12.725 1.00 0.70 O ATOM 509 NE2 GLN A 31 63.786 -5.482 -10.950 1.00 1.99 N ATOM 0 H GLN A 31 66.605 -2.463 -12.924 1.00 0.20 H new ATOM 0 HA GLN A 31 68.609 -3.847 -11.403 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.619 -4.680 -13.599 1.00 0.25 H new ATOM 0 HB3 GLN A 31 67.447 -5.823 -12.560 1.00 0.25 H new ATOM 0 HG2 GLN A 31 66.423 -4.791 -10.545 1.00 1.08 H new ATOM 0 HG3 GLN A 31 65.669 -3.552 -11.529 1.00 1.08 H new ATOM 0 HE21 GLN A 31 63.802 -4.847 -10.152 1.00 1.99 H new ATOM 0 HE22 GLN A 31 62.980 -6.088 -11.103 1.00 1.99 H new ATOM 518 N GLY A 32 70.423 -4.663 -12.871 1.00 0.18 N ATOM 519 CA GLY A 32 71.585 -5.003 -13.746 1.00 0.19 C ATOM 520 C GLY A 32 72.633 -3.878 -13.726 1.00 0.17 C ATOM 521 O GLY A 32 73.775 -4.100 -14.090 1.00 0.18 O ATOM 0 H GLY A 32 70.542 -4.900 -11.886 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.039 -5.935 -13.409 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.241 -5.167 -14.767 1.00 0.19 H new ATOM 525 N ASP A 33 72.283 -2.692 -13.264 1.00 0.15 N ATOM 526 CA ASP A 33 73.299 -1.592 -13.180 1.00 0.14 C ATOM 527 C ASP A 33 74.210 -1.812 -11.973 1.00 0.13 C ATOM 528 O ASP A 33 73.807 -2.415 -10.996 1.00 0.14 O ATOM 529 CB ASP A 33 72.491 -0.303 -13.007 1.00 0.13 C ATOM 530 CG ASP A 33 71.695 -0.002 -14.281 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.095 -0.455 -15.342 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.697 0.687 -14.169 1.00 1.07 O ATOM 0 H ASP A 33 71.346 -2.444 -12.945 1.00 0.15 H new ATOM 0 HA ASP A 33 73.935 -1.555 -14.064 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.812 -0.402 -12.160 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.161 0.527 -12.783 1.00 0.13 H new ATOM 537 N PHE A 34 75.393 -1.242 -11.992 1.00 0.12 N ATOM 538 CA PHE A 34 76.281 -1.321 -10.797 1.00 0.11 C ATOM 539 C PHE A 34 76.415 0.060 -10.166 1.00 0.10 C ATOM 540 O PHE A 34 76.637 1.036 -10.854 1.00 0.11 O ATOM 541 CB PHE A 34 77.631 -1.800 -11.328 1.00 0.12 C ATOM 542 CG PHE A 34 77.537 -3.257 -11.711 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.147 -3.627 -13.042 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.838 -4.272 -10.742 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.059 -5.014 -13.403 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.750 -5.658 -11.104 1.00 0.20 C ATOM 547 CZ PHE A 34 77.360 -6.028 -12.434 1.00 0.21 C ATOM 0 H PHE A 34 75.777 -0.727 -12.784 1.00 0.12 H new ATOM 0 HA PHE A 34 75.890 -1.992 -10.032 1.00 0.11 H new ATOM 0 HB2 PHE A 34 77.925 -1.205 -12.192 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.401 -1.662 -10.569 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.920 -2.863 -13.771 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.131 -3.993 -9.741 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.766 -5.294 -14.404 1.00 0.20 H new ATOM 0 HE2 PHE A 34 77.977 -6.422 -10.375 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.293 -7.071 -12.706 1.00 0.21 H new ATOM 557 N VAL A 35 76.387 0.131 -8.861 1.00 0.09 N ATOM 558 CA VAL A 35 76.634 1.431 -8.174 1.00 0.09 C ATOM 559 C VAL A 35 77.677 1.230 -7.073 1.00 0.10 C ATOM 560 O VAL A 35 77.855 0.133 -6.578 1.00 0.10 O ATOM 561 CB VAL A 35 75.275 1.865 -7.607 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.275 2.038 -8.756 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.743 0.806 -6.637 1.00 0.15 C ATOM 0 H VAL A 35 76.203 -0.658 -8.241 1.00 0.09 H new ATOM 0 HA VAL A 35 77.027 2.197 -8.842 1.00 0.09 H new ATOM 0 HB VAL A 35 75.400 2.808 -7.075 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.310 2.346 -8.355 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.641 2.799 -9.445 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.162 1.092 -9.286 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.779 1.126 -6.242 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.624 -0.141 -7.162 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.448 0.679 -5.815 1.00 0.15 H new ATOM 573 N GLU A 36 78.377 2.272 -6.703 1.00 0.12 N ATOM 574 CA GLU A 36 79.427 2.144 -5.650 1.00 0.13 C ATOM 575 C GLU A 36 79.029 3.011 -4.475 1.00 0.13 C ATOM 576 O GLU A 36 78.601 4.132 -4.667 1.00 0.13 O ATOM 577 CB GLU A 36 80.713 2.659 -6.297 1.00 0.14 C ATOM 578 CG GLU A 36 81.885 2.466 -5.329 1.00 0.15 C ATOM 579 CD GLU A 36 83.158 3.078 -5.923 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.044 4.042 -6.665 1.00 1.03 O ATOM 581 OE2 GLU A 36 84.228 2.571 -5.626 1.00 1.09 O ATOM 0 H GLU A 36 78.265 3.210 -7.087 1.00 0.12 H new ATOM 0 HA GLU A 36 79.555 1.124 -5.289 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.904 2.124 -7.227 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.608 3.714 -6.551 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.658 2.935 -4.371 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.037 1.404 -5.136 1.00 0.15 H new ATOM 588 N ILE A 37 78.931 2.425 -3.310 1.00 0.12 N ATOM 589 CA ILE A 37 78.272 3.139 -2.182 1.00 0.11 C ATOM 590 C ILE A 37 79.020 2.898 -0.866 1.00 0.11 C ATOM 591 O ILE A 37 79.705 1.905 -0.704 1.00 0.12 O ATOM 592 CB ILE A 37 76.857 2.548 -2.150 1.00 0.12 C ATOM 593 CG1 ILE A 37 76.028 3.241 -1.068 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.915 1.042 -1.865 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.534 3.092 -1.386 1.00 0.14 C ATOM 0 H ILE A 37 79.277 1.490 -3.094 1.00 0.12 H new ATOM 0 HA ILE A 37 78.263 4.221 -2.311 1.00 0.11 H new ATOM 0 HB ILE A 37 76.391 2.708 -3.122 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.247 2.805 -0.093 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.294 4.296 -1.012 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.904 0.636 -1.845 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.490 0.546 -2.647 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.393 0.872 -0.900 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.946 3.587 -0.613 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.320 3.549 -2.352 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.273 2.034 -1.419 1.00 0.14 H new ATOM 607 N LYS A 38 78.850 3.781 0.085 1.00 0.12 N ATOM 608 CA LYS A 38 79.496 3.598 1.418 1.00 0.13 C ATOM 609 C LYS A 38 78.483 3.838 2.540 1.00 0.13 C ATOM 610 O LYS A 38 77.612 4.675 2.427 1.00 0.14 O ATOM 611 CB LYS A 38 80.605 4.644 1.477 1.00 0.13 C ATOM 612 CG LYS A 38 81.518 4.326 2.659 1.00 0.18 C ATOM 613 CD LYS A 38 82.664 5.338 2.713 1.00 0.25 C ATOM 614 CE LYS A 38 83.642 4.949 3.826 1.00 1.03 C ATOM 615 NZ LYS A 38 84.025 6.237 4.467 1.00 1.11 N ATOM 0 H LYS A 38 78.287 4.627 -0.007 1.00 0.12 H new ATOM 0 HA LYS A 38 79.881 2.586 1.545 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.175 4.642 0.548 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.178 5.641 1.587 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.949 4.356 3.588 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.916 3.316 2.562 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.182 5.368 1.754 1.00 0.25 H new ATOM 0 HD3 LYS A 38 82.271 6.338 2.894 1.00 0.25 H new ATOM 0 HE2 LYS A 38 83.176 4.274 4.544 1.00 1.03 H new ATOM 0 HE3 LYS A 38 84.514 4.433 3.423 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 84.177 6.087 5.485 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 84.902 6.593 4.035 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 83.264 6.933 4.330 1.00 1.11 H new ATOM 629 N ILE A 39 78.611 3.120 3.627 1.00 0.14 N ATOM 630 CA ILE A 39 77.673 3.312 4.781 1.00 0.14 C ATOM 631 C ILE A 39 78.423 3.848 6.000 1.00 0.13 C ATOM 632 O ILE A 39 79.582 3.538 6.210 1.00 0.13 O ATOM 633 CB ILE A 39 77.095 1.925 5.094 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.234 0.929 5.364 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.249 1.439 3.918 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.672 -0.331 6.021 1.00 0.20 C ATOM 0 H ILE A 39 79.326 2.406 3.768 1.00 0.14 H new ATOM 0 HA ILE A 39 76.892 4.031 4.536 1.00 0.14 H new ATOM 0 HB ILE A 39 76.467 1.995 5.982 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.734 0.672 4.430 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.983 1.385 6.011 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.841 0.454 4.146 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.432 2.139 3.744 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.870 1.377 3.024 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.482 -1.035 6.211 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.192 -0.067 6.964 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.940 -0.791 5.358 1.00 0.20 H new ATOM 648 N VAL A 40 77.740 4.589 6.835 1.00 0.13 N ATOM 649 CA VAL A 40 78.365 5.089 8.096 1.00 0.12 C ATOM 650 C VAL A 40 77.369 4.961 9.252 1.00 0.16 C ATOM 651 O VAL A 40 76.277 5.497 9.204 1.00 0.20 O ATOM 652 CB VAL A 40 78.694 6.564 7.830 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.372 7.171 9.064 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.641 6.679 6.631 1.00 0.16 C ATOM 0 H VAL A 40 76.770 4.871 6.696 1.00 0.13 H new ATOM 0 HA VAL A 40 79.256 4.523 8.370 1.00 0.12 H new ATOM 0 HB VAL A 40 77.769 7.100 7.616 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.605 8.219 8.873 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.701 7.099 9.920 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.293 6.628 9.277 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.870 7.729 6.448 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.563 6.138 6.842 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.164 6.252 5.749 1.00 0.16 H new ATOM 664 N LYS A 41 77.775 4.322 10.318 1.00 0.17 N ATOM 665 CA LYS A 41 76.906 4.226 11.529 1.00 0.22 C ATOM 666 C LYS A 41 77.749 4.437 12.783 1.00 0.21 C ATOM 667 O LYS A 41 78.922 4.123 12.808 1.00 0.22 O ATOM 668 CB LYS A 41 76.314 2.813 11.498 1.00 0.28 C ATOM 669 CG LYS A 41 75.406 2.594 12.718 1.00 0.54 C ATOM 670 CD LYS A 41 74.224 3.566 12.673 1.00 1.11 C ATOM 671 CE LYS A 41 73.172 3.141 13.700 1.00 1.50 C ATOM 672 NZ LYS A 41 72.535 4.412 14.145 1.00 1.98 N ATOM 0 H LYS A 41 78.680 3.858 10.402 1.00 0.17 H new ATOM 0 HA LYS A 41 76.120 4.982 11.539 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.744 2.669 10.580 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.116 2.074 11.494 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.042 1.567 12.731 1.00 0.54 H new ATOM 0 HG3 LYS A 41 75.975 2.742 13.636 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.565 4.579 12.885 1.00 1.11 H new ATOM 0 HD3 LYS A 41 73.788 3.578 11.674 1.00 1.11 H new ATOM 0 HE2 LYS A 41 72.439 2.465 13.259 1.00 1.50 H new ATOM 0 HE3 LYS A 41 73.628 2.613 14.538 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 71.899 4.220 14.945 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 73.271 5.084 14.441 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 71.989 4.820 13.360 1.00 1.98 H new ATOM 686 N TYR A 42 77.171 5.025 13.795 1.00 0.20 N ATOM 687 CA TYR A 42 77.949 5.331 15.034 1.00 0.20 C ATOM 688 C TYR A 42 77.632 4.309 16.128 1.00 0.27 C ATOM 689 O TYR A 42 76.481 4.074 16.449 1.00 0.33 O ATOM 690 CB TYR A 42 77.496 6.729 15.453 1.00 0.22 C ATOM 691 CG TYR A 42 78.455 7.279 16.480 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.679 7.894 16.054 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.146 7.186 17.877 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.595 8.416 17.025 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.062 7.710 18.851 1.00 0.25 C ATOM 696 CZ TYR A 42 80.287 8.325 18.424 1.00 0.28 C ATOM 697 OH TYR A 42 81.169 8.828 19.359 1.00 0.33 O ATOM 0 H TYR A 42 76.191 5.308 13.819 1.00 0.20 H new ATOM 0 HA TYR A 42 79.025 5.287 14.866 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.459 7.387 14.585 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.488 6.688 15.865 1.00 0.22 H new ATOM 0 HD1 TYR A 42 79.910 7.964 15.001 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.225 6.722 18.197 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.517 8.878 16.704 1.00 0.28 H new ATOM 0 HE2 TYR A 42 78.830 7.642 19.903 1.00 0.25 H new ATOM 0 HH TYR A 42 80.808 8.686 20.259 1.00 0.33 H new ATOM 759 N PRO A 47 82.725 6.131 15.506 1.00 0.25 N ATOM 760 CA PRO A 47 81.979 5.849 14.257 1.00 0.21 C ATOM 761 C PRO A 47 82.644 4.694 13.494 1.00 0.27 C ATOM 762 O PRO A 47 83.856 4.644 13.379 1.00 0.34 O ATOM 763 CB PRO A 47 82.060 7.153 13.452 1.00 0.24 C ATOM 764 CG PRO A 47 82.838 8.126 14.288 1.00 0.33 C ATOM 765 CD PRO A 47 83.526 7.356 15.381 1.00 0.31 C ATOM 0 HA PRO A 47 80.948 5.549 14.443 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.551 6.987 12.493 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.063 7.538 13.237 1.00 0.24 H new ATOM 0 HG2 PRO A 47 83.569 8.654 13.676 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.174 8.879 14.713 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.561 7.132 15.122 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.545 7.918 16.315 1.00 0.31 H new ATOM 773 N LYS A 48 81.859 3.870 12.841 1.00 0.26 N ATOM 774 CA LYS A 48 82.438 2.835 11.930 1.00 0.35 C ATOM 775 C LYS A 48 81.878 3.005 10.519 1.00 0.28 C ATOM 776 O LYS A 48 80.780 3.497 10.334 1.00 0.24 O ATOM 777 CB LYS A 48 82.025 1.486 12.510 1.00 0.45 C ATOM 778 CG LYS A 48 82.700 1.289 13.866 1.00 0.60 C ATOM 779 CD LYS A 48 82.998 -0.195 14.069 1.00 0.47 C ATOM 780 CE LYS A 48 83.691 -0.402 15.418 1.00 0.48 C ATOM 781 NZ LYS A 48 85.072 0.122 15.224 1.00 1.10 N ATOM 0 H LYS A 48 80.841 3.871 12.901 1.00 0.26 H new ATOM 0 HA LYS A 48 83.522 2.921 11.860 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.942 1.442 12.621 1.00 0.45 H new ATOM 0 HB3 LYS A 48 82.309 0.683 11.830 1.00 0.45 H new ATOM 0 HG2 LYS A 48 83.623 1.867 13.913 1.00 0.60 H new ATOM 0 HG3 LYS A 48 82.053 1.655 14.664 1.00 0.60 H new ATOM 0 HD2 LYS A 48 82.073 -0.770 14.033 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.633 -0.562 13.263 1.00 0.47 H new ATOM 0 HE2 LYS A 48 83.174 0.133 16.214 1.00 0.48 H new ATOM 0 HE3 LYS A 48 83.704 -1.455 15.698 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 85.761 -0.615 15.475 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 85.203 0.395 14.229 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 85.217 0.953 15.833 1.00 1.10 H new ATOM 795 N GLU A 49 82.656 2.661 9.523 1.00 0.26 N ATOM 796 CA GLU A 49 82.215 2.868 8.110 1.00 0.20 C ATOM 797 C GLU A 49 82.551 1.648 7.251 1.00 0.19 C ATOM 798 O GLU A 49 83.327 0.796 7.643 1.00 0.21 O ATOM 799 CB GLU A 49 82.996 4.093 7.628 1.00 0.25 C ATOM 800 CG GLU A 49 82.622 5.310 8.481 1.00 0.80 C ATOM 801 CD GLU A 49 83.338 6.568 7.962 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.328 6.430 7.258 1.00 1.42 O ATOM 803 OE2 GLU A 49 82.886 7.653 8.290 1.00 0.96 O ATOM 0 H GLU A 49 83.581 2.244 9.629 1.00 0.26 H new ATOM 0 HA GLU A 49 81.137 3.011 8.038 1.00 0.20 H new ATOM 0 HB2 GLU A 49 84.067 3.904 7.696 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.773 4.289 6.579 1.00 0.25 H new ATOM 0 HG2 GLU A 49 81.543 5.462 8.456 1.00 0.80 H new ATOM 0 HG3 GLU A 49 82.895 5.131 9.521 1.00 0.80 H new ATOM 810 N GLY A 50 82.005 1.592 6.063 1.00 0.16 N ATOM 811 CA GLY A 50 82.317 0.467 5.134 1.00 0.16 C ATOM 812 C GLY A 50 82.007 0.890 3.699 1.00 0.15 C ATOM 813 O GLY A 50 80.967 1.457 3.429 1.00 0.17 O ATOM 0 H GLY A 50 81.352 2.283 5.695 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.367 0.188 5.223 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.730 -0.412 5.400 1.00 0.16 H new ATOM 817 N THR A 51 82.885 0.586 2.773 1.00 0.14 N ATOM 818 CA THR A 51 82.627 0.934 1.342 1.00 0.14 C ATOM 819 C THR A 51 82.681 -0.327 0.480 1.00 0.13 C ATOM 820 O THR A 51 83.584 -1.134 0.618 1.00 0.15 O ATOM 821 CB THR A 51 83.758 1.885 0.941 1.00 0.16 C ATOM 822 OG1 THR A 51 84.008 2.804 1.994 1.00 0.18 O ATOM 823 CG2 THR A 51 83.356 2.651 -0.323 1.00 0.21 C ATOM 0 H THR A 51 83.770 0.111 2.948 1.00 0.14 H new ATOM 0 HA THR A 51 81.645 1.387 1.206 1.00 0.14 H new ATOM 0 HB THR A 51 84.662 1.308 0.746 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.966 2.810 2.203 1.00 0.18 H new ATOM 0 HG21 THR A 51 84.161 3.328 -0.609 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.171 1.945 -1.133 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.450 3.225 -0.128 1.00 0.21 H new ATOM 831 N PHE A 52 81.773 -0.462 -0.458 1.00 0.12 N ATOM 832 CA PHE A 52 81.834 -1.631 -1.392 1.00 0.13 C ATOM 833 C PHE A 52 81.103 -1.318 -2.713 1.00 0.11 C ATOM 834 O PHE A 52 80.374 -0.348 -2.814 1.00 0.10 O ATOM 835 CB PHE A 52 81.183 -2.801 -0.616 1.00 0.14 C ATOM 836 CG PHE A 52 79.672 -2.662 -0.547 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.067 -1.686 0.314 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.848 -3.508 -1.362 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.637 -1.559 0.359 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.423 -3.381 -1.318 1.00 0.14 C ATOM 841 CZ PHE A 52 76.815 -2.407 -0.460 1.00 0.15 C ATOM 0 H PHE A 52 80.998 0.182 -0.616 1.00 0.12 H new ATOM 0 HA PHE A 52 82.854 -1.879 -1.685 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.439 -3.744 -1.099 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.591 -2.839 0.394 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.686 -1.048 0.927 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.304 -4.242 -2.010 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.180 -0.827 1.008 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.805 -4.020 -1.932 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.740 -2.310 -0.429 1.00 0.15 H new ATOM 851 N THR A 53 81.205 -2.206 -3.672 1.00 0.12 N ATOM 852 CA THR A 53 80.418 -2.054 -4.934 1.00 0.11 C ATOM 853 C THR A 53 79.284 -3.079 -4.954 1.00 0.11 C ATOM 854 O THR A 53 79.431 -4.182 -4.457 1.00 0.12 O ATOM 855 CB THR A 53 81.414 -2.332 -6.062 1.00 0.11 C ATOM 856 OG1 THR A 53 82.525 -1.455 -5.937 1.00 0.13 O ATOM 857 CG2 THR A 53 80.732 -2.109 -7.413 1.00 0.11 C ATOM 0 H THR A 53 81.802 -3.032 -3.634 1.00 0.12 H new ATOM 0 HA THR A 53 79.967 -1.066 -5.031 1.00 0.11 H new ATOM 0 HB THR A 53 81.758 -3.364 -5.999 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.165 -1.633 -6.658 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.442 -2.307 -8.216 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.881 -2.783 -7.507 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.387 -1.077 -7.480 1.00 0.11 H new ATOM 865 N ALA A 54 78.129 -2.693 -5.440 1.00 0.11 N ATOM 866 CA ALA A 54 76.949 -3.608 -5.398 1.00 0.13 C ATOM 867 C ALA A 54 76.129 -3.494 -6.683 1.00 0.13 C ATOM 868 O ALA A 54 75.958 -2.418 -7.223 1.00 0.11 O ATOM 869 CB ALA A 54 76.128 -3.137 -4.193 1.00 0.14 C ATOM 0 H ALA A 54 77.954 -1.782 -5.864 1.00 0.11 H new ATOM 0 HA ALA A 54 77.246 -4.653 -5.311 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.240 -3.760 -4.092 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.731 -3.216 -3.289 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.828 -2.099 -4.340 1.00 0.14 H new ATOM 875 N ARG A 55 75.548 -4.585 -7.115 1.00 0.15 N ATOM 876 CA ARG A 55 74.643 -4.543 -8.300 1.00 0.15 C ATOM 877 C ARG A 55 73.198 -4.360 -7.835 1.00 0.15 C ATOM 878 O ARG A 55 72.804 -4.872 -6.802 1.00 0.16 O ATOM 879 CB ARG A 55 74.814 -5.896 -8.987 1.00 0.19 C ATOM 880 CG ARG A 55 74.205 -5.835 -10.390 1.00 0.27 C ATOM 881 CD ARG A 55 74.230 -7.231 -11.019 1.00 0.45 C ATOM 882 NE ARG A 55 73.889 -7.018 -12.462 1.00 0.90 N ATOM 883 CZ ARG A 55 73.421 -7.996 -13.218 1.00 1.48 C ATOM 884 NH1 ARG A 55 73.233 -9.211 -12.750 1.00 1.67 N ATOM 885 NH2 ARG A 55 73.140 -7.749 -14.469 1.00 2.21 N ATOM 0 H ARG A 55 75.663 -5.507 -6.694 1.00 0.15 H new ATOM 0 HA ARG A 55 74.878 -3.719 -8.973 1.00 0.15 H new ATOM 0 HB2 ARG A 55 75.871 -6.154 -9.049 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.329 -6.677 -8.402 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.181 -5.466 -10.338 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.764 -5.135 -11.011 1.00 0.27 H new ATOM 0 HD2 ARG A 55 75.211 -7.694 -10.910 1.00 0.45 H new ATOM 0 HD3 ARG A 55 73.510 -7.893 -10.538 1.00 0.45 H new ATOM 0 HE ARG A 55 74.022 -6.094 -12.872 1.00 0.90 H new ATOM 0 HH11 ARG A 55 73.450 -9.422 -11.776 1.00 1.67 H new ATOM 0 HH12 ARG A 55 72.870 -9.942 -13.361 1.00 1.67 H new ATOM 0 HH21 ARG A 55 73.283 -6.813 -14.849 1.00 2.21 H new ATOM 0 HH22 ARG A 55 72.778 -8.492 -15.067 1.00 2.21 H new ATOM 899 N VAL A 56 72.411 -3.643 -8.593 1.00 0.14 N ATOM 900 CA VAL A 56 70.983 -3.427 -8.209 1.00 0.14 C ATOM 901 C VAL A 56 70.159 -4.662 -8.564 1.00 0.15 C ATOM 902 O VAL A 56 70.129 -5.097 -9.701 1.00 0.17 O ATOM 903 CB VAL A 56 70.534 -2.203 -9.018 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.043 -1.912 -8.770 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.368 -0.993 -8.590 1.00 0.17 C ATOM 0 H VAL A 56 72.696 -3.196 -9.464 1.00 0.14 H new ATOM 0 HA VAL A 56 70.853 -3.263 -7.139 1.00 0.14 H new ATOM 0 HB VAL A 56 70.678 -2.402 -10.080 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.741 -1.041 -9.351 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.449 -2.774 -9.073 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.882 -1.715 -7.710 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.057 -0.117 -9.159 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.219 -0.806 -7.526 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.423 -1.193 -8.779 1.00 0.17 H new ATOM 915 N GLY A 57 69.471 -5.201 -7.596 1.00 0.16 N ATOM 916 CA GLY A 57 68.607 -6.389 -7.845 1.00 0.19 C ATOM 917 C GLY A 57 67.140 -5.969 -7.901 1.00 0.18 C ATOM 918 O GLY A 57 66.812 -4.796 -7.993 1.00 0.16 O ATOM 0 H GLY A 57 69.471 -4.865 -6.633 1.00 0.16 H new ATOM 0 HA2 GLY A 57 68.893 -6.866 -8.783 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.752 -7.126 -7.055 1.00 0.19 H new ATOM 922 N GLU A 58 66.256 -6.927 -7.843 1.00 0.21 N ATOM 923 CA GLU A 58 64.795 -6.616 -7.897 1.00 0.22 C ATOM 924 C GLU A 58 64.397 -5.743 -6.704 1.00 0.22 C ATOM 925 O GLU A 58 65.029 -5.762 -5.667 1.00 0.24 O ATOM 926 CB GLU A 58 64.089 -7.976 -7.829 1.00 0.27 C ATOM 927 CG GLU A 58 62.579 -7.784 -8.027 1.00 0.81 C ATOM 928 CD GLU A 58 61.836 -9.126 -7.890 1.00 0.80 C ATOM 929 OE1 GLU A 58 62.470 -10.124 -7.571 1.00 1.28 O ATOM 930 OE2 GLU A 58 60.635 -9.131 -8.106 1.00 1.39 O ATOM 0 H GLU A 58 66.482 -7.918 -7.760 1.00 0.21 H new ATOM 0 HA GLU A 58 64.525 -6.066 -8.799 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.485 -8.641 -8.597 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.282 -8.449 -6.866 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.198 -7.075 -7.292 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.388 -7.356 -9.011 1.00 0.81 H new ATOM 937 N GLN A 59 63.355 -4.963 -6.859 1.00 0.25 N ATOM 938 CA GLN A 59 62.888 -4.062 -5.756 1.00 0.30 C ATOM 939 C GLN A 59 64.016 -3.164 -5.224 1.00 0.23 C ATOM 940 O GLN A 59 63.864 -2.552 -4.181 1.00 0.23 O ATOM 941 CB GLN A 59 62.380 -4.994 -4.650 1.00 0.37 C ATOM 942 CG GLN A 59 61.017 -5.563 -5.048 1.00 0.46 C ATOM 943 CD GLN A 59 60.545 -6.551 -3.982 1.00 0.56 C ATOM 944 OE1 GLN A 59 60.041 -6.155 -2.950 1.00 0.82 O ATOM 945 NE2 GLN A 59 60.686 -7.831 -4.192 1.00 0.81 N ATOM 0 H GLN A 59 62.800 -4.911 -7.714 1.00 0.25 H new ATOM 0 HA GLN A 59 62.114 -3.385 -6.116 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.091 -5.804 -4.488 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.298 -4.449 -3.710 1.00 0.37 H new ATOM 0 HG2 GLN A 59 60.292 -4.756 -5.157 1.00 0.46 H new ATOM 0 HG3 GLN A 59 61.088 -6.061 -6.015 1.00 0.46 H new ATOM 0 HE21 GLN A 59 61.109 -8.162 -5.059 1.00 0.81 H new ATOM 0 HE22 GLN A 59 60.373 -8.501 -3.489 1.00 0.81 H new ATOM 954 N GLY A 60 65.066 -2.946 -5.995 1.00 0.19 N ATOM 955 CA GLY A 60 66.089 -1.927 -5.586 1.00 0.16 C ATOM 956 C GLY A 60 66.955 -2.457 -4.437 1.00 0.12 C ATOM 957 O GLY A 60 67.501 -1.682 -3.668 1.00 0.12 O ATOM 0 H GLY A 60 65.254 -3.424 -6.876 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.721 -1.677 -6.438 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.591 -1.008 -5.278 1.00 0.16 H new ATOM 961 N SER A 61 67.006 -3.755 -4.252 1.00 0.14 N ATOM 962 CA SER A 61 67.757 -4.320 -3.088 1.00 0.16 C ATOM 963 C SER A 61 69.264 -4.309 -3.367 1.00 0.15 C ATOM 964 O SER A 61 69.700 -4.585 -4.470 1.00 0.18 O ATOM 965 CB SER A 61 67.254 -5.758 -2.938 1.00 0.21 C ATOM 966 OG SER A 61 65.834 -5.755 -2.891 1.00 1.30 O ATOM 0 H SER A 61 66.561 -4.446 -4.856 1.00 0.14 H new ATOM 0 HA SER A 61 67.596 -3.737 -2.181 1.00 0.16 H new ATOM 0 HB2 SER A 61 67.601 -6.366 -3.774 1.00 0.21 H new ATOM 0 HB3 SER A 61 67.659 -6.204 -2.030 1.00 0.21 H new ATOM 0 HG SER A 61 65.476 -5.755 -3.803 1.00 1.30 H new ATOM 972 N VAL A 62 70.055 -4.085 -2.349 1.00 0.14 N ATOM 973 CA VAL A 62 71.541 -4.163 -2.500 1.00 0.15 C ATOM 974 C VAL A 62 72.148 -4.873 -1.279 1.00 0.14 C ATOM 975 O VAL A 62 71.593 -4.827 -0.198 1.00 0.14 O ATOM 976 CB VAL A 62 72.012 -2.704 -2.594 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.623 -1.939 -1.326 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.533 -2.669 -2.759 1.00 0.21 C ATOM 0 H VAL A 62 69.732 -3.849 -1.411 1.00 0.14 H new ATOM 0 HA VAL A 62 71.848 -4.732 -3.378 1.00 0.15 H new ATOM 0 HB VAL A 62 71.535 -2.234 -3.454 1.00 0.17 H new ATOM 0 HG11 VAL A 62 71.963 -0.906 -1.405 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.540 -1.957 -1.208 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.090 -2.409 -0.460 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.868 -1.634 -2.826 1.00 0.21 H new ATOM 0 HG22 VAL A 62 74.003 -3.148 -1.900 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.813 -3.200 -3.669 1.00 0.21 H new ATOM 988 N ILE A 63 73.218 -5.612 -1.471 1.00 0.16 N ATOM 989 CA ILE A 63 73.786 -6.426 -0.345 1.00 0.17 C ATOM 990 C ILE A 63 75.144 -5.868 0.099 1.00 0.16 C ATOM 991 O ILE A 63 76.101 -5.879 -0.653 1.00 0.19 O ATOM 992 CB ILE A 63 73.953 -7.845 -0.913 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.610 -8.376 -1.456 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.462 -8.783 0.187 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.549 -8.392 -0.347 1.00 0.34 C ATOM 0 H ILE A 63 73.721 -5.687 -2.355 1.00 0.16 H new ATOM 0 HA ILE A 63 73.137 -6.408 0.530 1.00 0.17 H new ATOM 0 HB ILE A 63 74.673 -7.808 -1.731 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.272 -7.750 -2.282 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.744 -9.382 -1.853 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.580 -9.788 -0.218 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.424 -8.425 0.554 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.745 -8.804 1.008 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.609 -8.769 -0.749 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.882 -9.038 0.466 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.402 -7.380 0.031 1.00 0.34 H new ATOM 1007 N ILE A 64 75.264 -5.521 1.360 1.00 0.15 N ATOM 1008 CA ILE A 64 76.597 -5.124 1.917 1.00 0.16 C ATOM 1009 C ILE A 64 77.431 -6.386 2.213 1.00 0.18 C ATOM 1010 O ILE A 64 76.883 -7.388 2.618 1.00 0.20 O ATOM 1011 CB ILE A 64 76.278 -4.365 3.211 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.429 -3.132 2.886 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.579 -3.915 3.885 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.778 -2.606 4.167 1.00 0.32 C ATOM 0 H ILE A 64 74.494 -5.496 2.028 1.00 0.15 H new ATOM 0 HA ILE A 64 77.176 -4.511 1.226 1.00 0.16 H new ATOM 0 HB ILE A 64 75.729 -5.024 3.884 1.00 0.19 H new ATOM 0 HG12 ILE A 64 76.051 -2.357 2.437 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.662 -3.388 2.155 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.346 -3.376 4.803 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.187 -4.788 4.121 1.00 0.34 H new ATOM 0 HG23 ILE A 64 78.130 -3.260 3.211 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.174 -1.729 3.935 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.143 -3.380 4.597 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.553 -2.334 4.884 1.00 0.32 H new ATOM 1026 N PRO A 65 78.732 -6.313 2.007 1.00 0.19 N ATOM 1027 CA PRO A 65 79.605 -7.499 2.264 1.00 0.23 C ATOM 1028 C PRO A 65 79.606 -7.863 3.753 1.00 0.26 C ATOM 1029 O PRO A 65 79.747 -7.013 4.612 1.00 0.23 O ATOM 1030 CB PRO A 65 80.982 -7.016 1.812 1.00 0.26 C ATOM 1031 CG PRO A 65 80.907 -5.539 1.987 1.00 0.24 C ATOM 1032 CD PRO A 65 79.527 -5.163 1.540 1.00 0.21 C ATOM 0 HA PRO A 65 79.277 -8.399 1.744 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.778 -7.452 2.416 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.182 -7.288 0.776 1.00 0.26 H new ATOM 0 HG2 PRO A 65 81.076 -5.256 3.026 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.666 -5.032 1.391 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.193 -4.227 1.988 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.468 -5.038 0.459 1.00 0.21 H new ATOM 1040 N LYS A 66 79.465 -9.131 4.060 1.00 0.41 N ATOM 1041 CA LYS A 66 79.465 -9.580 5.494 1.00 0.51 C ATOM 1042 C LYS A 66 80.734 -9.109 6.212 1.00 0.44 C ATOM 1043 O LYS A 66 80.718 -8.820 7.394 1.00 0.42 O ATOM 1044 CB LYS A 66 79.423 -11.111 5.441 1.00 0.69 C ATOM 1045 CG LYS A 66 79.282 -11.667 6.859 1.00 0.96 C ATOM 1046 CD LYS A 66 79.300 -13.195 6.813 1.00 1.31 C ATOM 1047 CE LYS A 66 78.997 -13.752 8.206 1.00 1.89 C ATOM 1048 NZ LYS A 66 79.498 -15.155 8.175 1.00 2.62 N ATOM 0 H LYS A 66 79.349 -9.880 3.377 1.00 0.41 H new ATOM 0 HA LYS A 66 78.620 -9.165 6.043 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.587 -11.441 4.825 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.332 -11.494 4.977 1.00 0.69 H new ATOM 0 HG2 LYS A 66 80.095 -11.302 7.486 1.00 0.96 H new ATOM 0 HG3 LYS A 66 78.352 -11.317 7.307 1.00 0.96 H new ATOM 0 HD2 LYS A 66 78.562 -13.556 6.097 1.00 1.31 H new ATOM 0 HD3 LYS A 66 80.274 -13.548 6.473 1.00 1.31 H new ATOM 0 HE2 LYS A 66 79.497 -13.171 8.981 1.00 1.89 H new ATOM 0 HE3 LYS A 66 77.929 -13.718 8.421 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 79.326 -15.605 9.097 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 79.000 -15.685 7.432 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 80.519 -15.155 7.975 1.00 2.62 H new ATOM 1062 N ALA A 67 81.836 -9.058 5.505 1.00 0.43 N ATOM 1063 CA ALA A 67 83.129 -8.638 6.141 1.00 0.40 C ATOM 1064 C ALA A 67 82.999 -7.231 6.731 1.00 0.30 C ATOM 1065 O ALA A 67 83.508 -6.945 7.803 1.00 0.28 O ATOM 1066 CB ALA A 67 84.161 -8.649 5.010 1.00 0.45 C ATOM 0 H ALA A 67 81.899 -9.289 4.513 1.00 0.43 H new ATOM 0 HA ALA A 67 83.415 -9.302 6.957 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.134 -8.351 5.402 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.231 -9.653 4.591 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.855 -7.951 4.231 1.00 0.45 H new ATOM 1072 N LEU A 68 82.285 -6.366 6.055 1.00 0.27 N ATOM 1073 CA LEU A 68 82.083 -4.982 6.580 1.00 0.23 C ATOM 1074 C LEU A 68 81.039 -4.980 7.696 1.00 0.22 C ATOM 1075 O LEU A 68 81.141 -4.214 8.636 1.00 0.22 O ATOM 1076 CB LEU A 68 81.611 -4.143 5.385 1.00 0.28 C ATOM 1077 CG LEU A 68 82.757 -3.967 4.374 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.268 -3.125 3.193 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.940 -3.249 5.036 1.00 1.82 C ATOM 0 H LEU A 68 81.833 -6.559 5.161 1.00 0.27 H new ATOM 0 HA LEU A 68 83.000 -4.577 7.008 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.762 -4.628 4.903 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.267 -3.168 5.729 1.00 0.28 H new ATOM 0 HG LEU A 68 83.076 -4.950 4.029 1.00 0.99 H new ATOM 0 HD11 LEU A 68 83.079 -2.999 2.475 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.430 -3.628 2.710 1.00 1.24 H new ATOM 0 HD13 LEU A 68 81.946 -2.147 3.552 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.745 -3.130 4.311 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.620 -2.268 5.387 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.297 -3.838 5.881 1.00 1.82 H new ATOM 1091 N ARG A 69 80.053 -5.851 7.626 1.00 0.25 N ATOM 1092 CA ARG A 69 79.022 -5.910 8.720 1.00 0.28 C ATOM 1093 C ARG A 69 79.704 -6.180 10.063 1.00 0.25 C ATOM 1094 O ARG A 69 79.360 -5.598 11.076 1.00 0.26 O ATOM 1095 CB ARG A 69 78.118 -7.108 8.405 1.00 0.35 C ATOM 1096 CG ARG A 69 77.489 -7.008 7.013 1.00 0.46 C ATOM 1097 CD ARG A 69 76.440 -8.120 6.888 1.00 0.56 C ATOM 1098 NE ARG A 69 76.399 -8.490 5.436 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.983 -9.684 5.036 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.554 -10.595 5.882 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.988 -9.960 3.762 1.00 2.30 N ATOM 0 H ARG A 69 79.918 -6.518 6.866 1.00 0.25 H new ATOM 0 HA ARG A 69 78.469 -4.972 8.776 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.699 -8.028 8.474 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.329 -7.173 9.154 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.027 -6.031 6.872 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.251 -7.114 6.241 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.708 -8.980 7.502 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.464 -7.776 7.230 1.00 0.56 H new ATOM 0 HE ARG A 69 76.698 -7.808 4.739 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.534 -10.393 6.882 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.241 -11.503 5.538 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.309 -9.263 3.090 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.671 -10.873 3.437 1.00 2.30 H new ATOM 1115 N ASP A 70 80.604 -7.132 10.079 1.00 0.25 N ATOM 1116 CA ASP A 70 81.252 -7.543 11.363 1.00 0.25 C ATOM 1117 C ASP A 70 82.184 -6.443 11.865 1.00 0.22 C ATOM 1118 O ASP A 70 82.164 -6.091 13.029 1.00 0.22 O ATOM 1119 CB ASP A 70 82.048 -8.809 11.032 1.00 0.27 C ATOM 1120 CG ASP A 70 81.094 -9.927 10.595 1.00 0.91 C ATOM 1121 OD1 ASP A 70 79.962 -9.932 11.052 1.00 1.68 O ATOM 1122 OD2 ASP A 70 81.514 -10.760 9.810 1.00 1.56 O ATOM 0 H ASP A 70 80.919 -7.644 9.255 1.00 0.25 H new ATOM 0 HA ASP A 70 80.518 -7.721 12.149 1.00 0.25 H new ATOM 0 HB2 ASP A 70 82.765 -8.601 10.238 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.620 -9.127 11.903 1.00 0.27 H new ATOM 1127 N VAL A 71 83.005 -5.903 10.996 1.00 0.21 N ATOM 1128 CA VAL A 71 83.970 -4.839 11.430 1.00 0.21 C ATOM 1129 C VAL A 71 83.203 -3.631 11.984 1.00 0.21 C ATOM 1130 O VAL A 71 83.642 -2.982 12.915 1.00 0.22 O ATOM 1131 CB VAL A 71 84.745 -4.463 10.155 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.707 -3.305 10.436 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.544 -5.677 9.674 1.00 0.28 C ATOM 0 H VAL A 71 83.050 -6.151 10.008 1.00 0.21 H new ATOM 0 HA VAL A 71 84.639 -5.176 12.222 1.00 0.21 H new ATOM 0 HB VAL A 71 84.035 -4.154 9.388 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.247 -3.051 9.524 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.142 -2.437 10.776 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.417 -3.601 11.208 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.095 -5.415 8.771 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.245 -5.982 10.451 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.862 -6.499 9.458 1.00 0.28 H new ATOM 1143 N ILE A 72 82.099 -3.297 11.373 1.00 0.21 N ATOM 1144 CA ILE A 72 81.328 -2.091 11.802 1.00 0.22 C ATOM 1145 C ILE A 72 80.417 -2.413 13.001 1.00 0.22 C ATOM 1146 O ILE A 72 79.994 -1.515 13.708 1.00 0.23 O ATOM 1147 CB ILE A 72 80.497 -1.685 10.576 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.433 -1.379 9.401 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.679 -0.430 10.901 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.606 -1.136 8.139 1.00 0.28 C ATOM 0 H ILE A 72 81.694 -3.810 10.590 1.00 0.21 H new ATOM 0 HA ILE A 72 81.987 -1.287 12.130 1.00 0.22 H new ATOM 0 HB ILE A 72 79.827 -2.503 10.311 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.040 -0.502 9.625 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.120 -2.210 9.244 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.090 -0.144 10.030 1.00 0.27 H new ATOM 0 HG22 ILE A 72 79.012 -0.637 11.738 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.353 0.385 11.167 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.272 -0.918 7.304 1.00 0.28 H new ATOM 0 HD12 ILE A 72 80.018 -2.026 7.912 1.00 0.28 H new ATOM 0 HD13 ILE A 72 79.937 -0.290 8.299 1.00 0.28 H new ATOM 1162 N GLY A 73 80.163 -3.677 13.278 1.00 0.21 N ATOM 1163 CA GLY A 73 79.343 -4.033 14.479 1.00 0.21 C ATOM 1164 C GLY A 73 77.864 -3.750 14.203 1.00 0.20 C ATOM 1165 O GLY A 73 77.152 -3.262 15.062 1.00 0.22 O ATOM 0 H GLY A 73 80.488 -4.470 12.725 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.481 -5.086 14.725 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.677 -3.457 15.342 1.00 0.21 H new ATOM 1169 N ILE A 74 77.425 -3.957 12.984 1.00 0.20 N ATOM 1170 CA ILE A 74 76.018 -3.592 12.612 1.00 0.21 C ATOM 1171 C ILE A 74 75.074 -4.779 12.842 1.00 0.21 C ATOM 1172 O ILE A 74 75.441 -5.924 12.655 1.00 0.23 O ATOM 1173 CB ILE A 74 76.075 -3.222 11.122 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.075 -2.071 10.896 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.683 -2.790 10.646 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.666 -0.832 11.706 1.00 0.77 C ATOM 0 H ILE A 74 77.979 -4.363 12.230 1.00 0.20 H new ATOM 0 HA ILE A 74 75.637 -2.770 13.218 1.00 0.21 H new ATOM 0 HB ILE A 74 76.403 -4.093 10.555 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.076 -2.389 11.188 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.117 -1.821 9.836 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.725 -2.528 9.589 1.00 0.27 H new ATOM 0 HG22 ILE A 74 73.979 -3.610 10.789 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.354 -1.925 11.222 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.384 -0.031 11.533 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.674 -0.504 11.394 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.648 -1.081 12.767 1.00 0.77 H new ATOM 1188 N LYS A 75 73.878 -4.503 13.302 1.00 0.22 N ATOM 1189 CA LYS A 75 72.908 -5.597 13.617 1.00 0.24 C ATOM 1190 C LYS A 75 71.549 -5.330 12.936 1.00 0.24 C ATOM 1191 O LYS A 75 71.231 -4.198 12.626 1.00 0.23 O ATOM 1192 CB LYS A 75 72.757 -5.560 15.138 1.00 0.29 C ATOM 1193 CG LYS A 75 74.064 -6.011 15.792 1.00 1.19 C ATOM 1194 CD LYS A 75 74.270 -5.247 17.102 1.00 1.71 C ATOM 1195 CE LYS A 75 75.004 -6.140 18.104 1.00 2.52 C ATOM 1196 NZ LYS A 75 74.465 -5.746 19.436 1.00 3.21 N ATOM 0 H LYS A 75 73.530 -3.560 13.474 1.00 0.22 H new ATOM 0 HA LYS A 75 73.253 -6.567 13.259 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.504 -4.551 15.464 1.00 0.29 H new ATOM 0 HB3 LYS A 75 71.939 -6.210 15.449 1.00 0.29 H new ATOM 0 HG2 LYS A 75 74.035 -7.083 15.985 1.00 1.19 H new ATOM 0 HG3 LYS A 75 74.901 -5.831 15.118 1.00 1.19 H new ATOM 0 HD2 LYS A 75 74.845 -4.339 16.919 1.00 1.71 H new ATOM 0 HD3 LYS A 75 73.308 -4.939 17.511 1.00 1.71 H new ATOM 0 HE2 LYS A 75 74.821 -7.195 17.900 1.00 2.52 H new ATOM 0 HE3 LYS A 75 76.082 -5.987 18.053 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 74.921 -6.316 20.177 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 74.659 -4.738 19.605 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 73.438 -5.909 19.457 1.00 3.21 H new ATOM 1210 N PRO A 76 70.758 -6.377 12.758 1.00 0.25 N ATOM 1211 CA PRO A 76 69.407 -6.208 12.152 1.00 0.26 C ATOM 1212 C PRO A 76 68.575 -5.164 12.916 1.00 0.24 C ATOM 1213 O PRO A 76 68.461 -5.217 14.127 1.00 0.23 O ATOM 1214 CB PRO A 76 68.764 -7.589 12.273 1.00 0.29 C ATOM 1215 CG PRO A 76 69.892 -8.550 12.475 1.00 0.50 C ATOM 1216 CD PRO A 76 71.036 -7.788 13.088 1.00 0.28 C ATOM 0 HA PRO A 76 69.465 -5.854 11.123 1.00 0.26 H new ATOM 0 HB2 PRO A 76 68.067 -7.623 13.110 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.197 -7.836 11.376 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.585 -9.369 13.126 1.00 0.50 H new ATOM 0 HG3 PRO A 76 70.192 -8.993 11.525 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.083 -7.942 14.166 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.993 -8.111 12.678 1.00 0.28 H new ATOM 1224 N GLY A 77 67.930 -4.273 12.201 1.00 0.24 N ATOM 1225 CA GLY A 77 67.024 -3.279 12.856 1.00 0.24 C ATOM 1226 C GLY A 77 67.774 -1.977 13.195 1.00 0.22 C ATOM 1227 O GLY A 77 67.184 -1.048 13.715 1.00 0.24 O ATOM 0 H GLY A 77 67.993 -4.192 11.186 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.186 -3.057 12.195 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.607 -3.709 13.767 1.00 0.24 H new ATOM 1231 N GLU A 78 69.057 -1.889 12.899 1.00 0.20 N ATOM 1232 CA GLU A 78 69.819 -0.634 13.197 1.00 0.20 C ATOM 1233 C GLU A 78 69.913 0.243 11.954 1.00 0.18 C ATOM 1234 O GLU A 78 70.139 -0.247 10.863 1.00 0.18 O ATOM 1235 CB GLU A 78 71.204 -1.089 13.649 1.00 0.20 C ATOM 1236 CG GLU A 78 71.204 -1.256 15.171 1.00 0.22 C ATOM 1237 CD GLU A 78 72.622 -1.563 15.671 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.404 -2.093 14.898 1.00 1.07 O ATOM 1239 OE2 GLU A 78 72.900 -1.260 16.819 1.00 1.11 O ATOM 0 H GLU A 78 69.604 -2.633 12.465 1.00 0.20 H new ATOM 0 HA GLU A 78 69.327 -0.036 13.964 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.466 -2.031 13.167 1.00 0.20 H new ATOM 0 HB3 GLU A 78 71.956 -0.358 13.351 1.00 0.20 H new ATOM 0 HG2 GLU A 78 70.833 -0.347 15.644 1.00 0.22 H new ATOM 0 HG3 GLU A 78 70.528 -2.062 15.456 1.00 0.22 H new ATOM 1246 N VAL A 79 69.647 1.515 12.103 1.00 0.19 N ATOM 1247 CA VAL A 79 69.596 2.419 10.915 1.00 0.18 C ATOM 1248 C VAL A 79 70.962 3.065 10.654 1.00 0.18 C ATOM 1249 O VAL A 79 71.559 3.662 11.528 1.00 0.19 O ATOM 1250 CB VAL A 79 68.542 3.479 11.269 1.00 0.20 C ATOM 1251 CG1 VAL A 79 68.973 4.273 12.516 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.361 4.432 10.081 1.00 0.21 C ATOM 0 H VAL A 79 69.462 1.968 12.998 1.00 0.19 H new ATOM 0 HA VAL A 79 69.341 1.879 10.003 1.00 0.18 H new ATOM 0 HB VAL A 79 67.597 2.981 11.487 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.215 5.019 12.752 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.087 3.592 13.359 1.00 0.24 H new ATOM 0 HG13 VAL A 79 69.923 4.770 12.320 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.613 5.185 10.329 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.309 4.921 9.859 1.00 0.21 H new ATOM 0 HG23 VAL A 79 68.031 3.868 9.209 1.00 0.21 H new ATOM 1262 N ILE A 80 71.406 3.010 9.426 1.00 0.17 N ATOM 1263 CA ILE A 80 72.678 3.679 9.033 1.00 0.17 C ATOM 1264 C ILE A 80 72.384 4.737 7.960 1.00 0.17 C ATOM 1265 O ILE A 80 71.419 4.626 7.224 1.00 0.17 O ATOM 1266 CB ILE A 80 73.573 2.557 8.472 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.899 1.909 7.257 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.808 1.494 9.549 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.855 0.903 6.612 1.00 0.18 C ATOM 0 H ILE A 80 70.932 2.521 8.667 1.00 0.17 H new ATOM 0 HA ILE A 80 73.162 4.188 9.866 1.00 0.17 H new ATOM 0 HB ILE A 80 74.528 2.985 8.169 1.00 0.17 H new ATOM 0 HG12 ILE A 80 71.981 1.408 7.563 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.619 2.674 6.533 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.441 0.703 9.147 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.298 1.950 10.409 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.852 1.072 9.858 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.373 0.444 5.749 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.761 1.417 6.291 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.113 0.130 7.336 1.00 0.18 H new ATOM 1281 N GLU A 81 73.269 5.682 7.796 1.00 0.18 N ATOM 1282 CA GLU A 81 73.126 6.672 6.690 1.00 0.18 C ATOM 1283 C GLU A 81 74.000 6.234 5.519 1.00 0.17 C ATOM 1284 O GLU A 81 75.105 5.758 5.712 1.00 0.19 O ATOM 1285 CB GLU A 81 73.620 7.997 7.270 1.00 0.20 C ATOM 1286 CG GLU A 81 73.425 9.111 6.237 1.00 0.21 C ATOM 1287 CD GLU A 81 74.012 10.422 6.769 1.00 0.23 C ATOM 1288 OE1 GLU A 81 74.970 10.361 7.523 1.00 1.14 O ATOM 1289 OE2 GLU A 81 73.492 11.466 6.412 1.00 1.04 O ATOM 0 H GLU A 81 74.091 5.812 8.385 1.00 0.18 H new ATOM 0 HA GLU A 81 72.102 6.759 6.325 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.073 8.233 8.183 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.673 7.918 7.541 1.00 0.20 H new ATOM 0 HG2 GLU A 81 73.910 8.839 5.300 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.364 9.238 6.022 1.00 0.21 H new ATOM 1296 N VAL A 82 73.443 6.224 4.338 1.00 0.16 N ATOM 1297 CA VAL A 82 74.153 5.621 3.173 1.00 0.17 C ATOM 1298 C VAL A 82 74.464 6.695 2.128 1.00 0.16 C ATOM 1299 O VAL A 82 73.599 7.444 1.713 1.00 0.17 O ATOM 1300 CB VAL A 82 73.175 4.575 2.621 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.777 3.897 1.391 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.909 3.515 3.692 1.00 0.19 C ATOM 0 H VAL A 82 72.522 6.610 4.129 1.00 0.16 H new ATOM 0 HA VAL A 82 75.109 5.175 3.448 1.00 0.17 H new ATOM 0 HB VAL A 82 72.244 5.069 2.344 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.077 3.156 1.005 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.974 4.645 0.623 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.710 3.406 1.667 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.214 2.771 3.303 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.846 3.030 3.964 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.477 3.989 4.573 1.00 0.19 H new ATOM 1312 N LEU A 83 75.695 6.752 1.698 1.00 0.16 N ATOM 1313 CA LEU A 83 76.105 7.752 0.667 1.00 0.17 C ATOM 1314 C LEU A 83 76.527 7.019 -0.608 1.00 0.15 C ATOM 1315 O LEU A 83 77.400 6.175 -0.564 1.00 0.12 O ATOM 1316 CB LEU A 83 77.330 8.481 1.252 1.00 0.21 C ATOM 1317 CG LEU A 83 77.058 8.987 2.674 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.312 9.677 3.211 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.893 9.976 2.652 1.00 0.20 C ATOM 0 H LEU A 83 76.445 6.141 2.021 1.00 0.16 H new ATOM 0 HA LEU A 83 75.294 8.440 0.426 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.186 7.806 1.263 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.595 9.321 0.610 1.00 0.21 H new ATOM 0 HG LEU A 83 76.801 8.147 3.319 1.00 0.20 H new ATOM 0 HD11 LEU A 83 78.124 10.039 4.222 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.139 8.967 3.228 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.569 10.518 2.567 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.701 10.335 3.663 1.00 0.20 H new ATOM 0 HD22 LEU A 83 76.144 10.820 2.009 1.00 0.20 H new ATOM 0 HD23 LEU A 83 75.002 9.480 2.268 1.00 0.20 H new ATOM 1331 N LEU A 84 76.022 7.419 -1.749 1.00 0.16 N ATOM 1332 CA LEU A 84 76.523 6.836 -3.034 1.00 0.15 C ATOM 1333 C LEU A 84 77.834 7.510 -3.439 1.00 0.15 C ATOM 1334 O LEU A 84 78.012 8.698 -3.249 1.00 0.17 O ATOM 1335 CB LEU A 84 75.432 7.107 -4.060 1.00 0.18 C ATOM 1336 CG LEU A 84 74.410 5.969 -4.019 1.00 0.21 C ATOM 1337 CD1 LEU A 84 73.016 6.489 -4.408 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.852 4.875 -4.999 1.00 0.28 C ATOM 0 H LEU A 84 75.288 8.121 -1.847 1.00 0.16 H new ATOM 0 HA LEU A 84 76.728 5.769 -2.948 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.944 8.058 -3.847 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.865 7.187 -5.057 1.00 0.18 H new ATOM 0 HG LEU A 84 74.355 5.564 -3.009 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.299 5.669 -4.374 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.710 7.267 -3.709 1.00 0.20 H new ATOM 0 HD13 LEU A 84 73.050 6.900 -5.417 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.132 4.057 -4.980 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.905 5.288 -6.006 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.834 4.501 -4.708 1.00 0.28 H new ATOM 1350 N LEU A 85 78.768 6.744 -3.940 1.00 0.14 N ATOM 1351 CA LEU A 85 80.101 7.308 -4.299 1.00 0.17 C ATOM 1352 C LEU A 85 80.256 7.415 -5.820 1.00 0.18 C ATOM 1353 O LEU A 85 80.906 8.319 -6.314 1.00 0.24 O ATOM 1354 CB LEU A 85 81.115 6.321 -3.718 1.00 0.22 C ATOM 1355 CG LEU A 85 81.470 6.739 -2.291 1.00 0.89 C ATOM 1356 CD1 LEU A 85 82.112 5.560 -1.558 1.00 1.13 C ATOM 1357 CD2 LEU A 85 82.455 7.910 -2.334 1.00 1.60 C ATOM 0 H LEU A 85 78.663 5.745 -4.117 1.00 0.14 H new ATOM 0 HA LEU A 85 80.238 8.315 -3.906 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.701 5.313 -3.721 1.00 0.22 H new ATOM 0 HB3 LEU A 85 82.013 6.299 -4.336 1.00 0.22 H new ATOM 0 HG LEU A 85 80.565 7.043 -1.766 1.00 0.89 H new ATOM 0 HD11 LEU A 85 82.365 5.858 -0.541 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.412 4.725 -1.528 1.00 1.13 H new ATOM 0 HD13 LEU A 85 83.018 5.255 -2.082 1.00 1.13 H new ATOM 0 HD21 LEU A 85 82.709 8.209 -1.317 1.00 1.60 H new ATOM 0 HD22 LEU A 85 83.360 7.605 -2.859 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.998 8.751 -2.856 1.00 1.60 H new ATOM 1369 N GLY A 86 79.723 6.466 -6.557 1.00 0.16 N ATOM 1370 CA GLY A 86 79.911 6.484 -8.047 1.00 0.20 C ATOM 1371 C GLY A 86 78.993 5.463 -8.727 1.00 0.17 C ATOM 1372 O GLY A 86 78.158 4.851 -8.093 1.00 0.15 O ATOM 0 H GLY A 86 79.171 5.687 -6.197 1.00 0.16 H new ATOM 0 HA2 GLY A 86 79.700 7.482 -8.432 1.00 0.20 H new ATOM 0 HA3 GLY A 86 80.950 6.262 -8.289 1.00 0.20 H new ATOM 1376 N HIS A 87 79.126 5.306 -10.027 1.00 0.20 N ATOM 1377 CA HIS A 87 78.237 4.361 -10.779 1.00 0.19 C ATOM 1378 C HIS A 87 79.015 3.663 -11.907 1.00 0.19 C ATOM 1379 O HIS A 87 79.940 4.224 -12.466 1.00 0.24 O ATOM 1380 CB HIS A 87 77.116 5.239 -11.362 1.00 0.28 C ATOM 1381 CG HIS A 87 77.694 6.307 -12.260 1.00 0.76 C ATOM 1382 ND1 HIS A 87 77.806 6.139 -13.631 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.195 7.557 -11.994 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.354 7.260 -14.135 1.00 1.57 C ATOM 1385 NE2 HIS A 87 78.611 8.157 -13.179 1.00 1.89 N ATOM 0 H HIS A 87 79.815 5.794 -10.599 1.00 0.20 H new ATOM 0 HA HIS A 87 77.847 3.573 -10.135 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.417 4.621 -11.926 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.551 5.702 -10.553 1.00 0.28 H new ATOM 0 HD2 HIS A 87 78.257 8.007 -11.014 1.00 1.72 H new ATOM 0 HE1 HIS A 87 78.561 7.415 -15.184 1.00 1.57 H new ATOM 0 HE2 HIS A 87 79.024 9.083 -13.293 1.00 1.89 H new ATOM 1393 N TYR A 88 78.591 2.480 -12.294 1.00 0.16 N ATOM 1394 CA TYR A 88 79.240 1.781 -13.443 1.00 0.19 C ATOM 1395 C TYR A 88 78.175 1.215 -14.388 1.00 0.21 C ATOM 1396 O TYR A 88 77.174 0.671 -13.955 1.00 0.17 O ATOM 1397 CB TYR A 88 80.060 0.655 -12.815 1.00 0.21 C ATOM 1398 CG TYR A 88 81.203 1.248 -12.029 1.00 0.32 C ATOM 1399 CD1 TYR A 88 81.025 1.592 -10.647 1.00 0.59 C ATOM 1400 CD2 TYR A 88 82.470 1.472 -12.665 1.00 0.66 C ATOM 1401 CE1 TYR A 88 82.112 2.159 -9.901 1.00 0.70 C ATOM 1402 CE2 TYR A 88 83.558 2.037 -11.920 1.00 0.77 C ATOM 1403 CZ TYR A 88 83.379 2.382 -10.538 1.00 0.65 C ATOM 1404 OH TYR A 88 84.425 2.925 -9.821 1.00 0.80 O ATOM 0 H TYR A 88 77.821 1.971 -11.860 1.00 0.16 H new ATOM 0 HA TYR A 88 79.863 2.451 -14.035 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.430 0.051 -12.162 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.443 -0.008 -13.591 1.00 0.21 H new ATOM 0 HD1 TYR A 88 80.072 1.424 -10.168 1.00 0.59 H new ATOM 0 HD2 TYR A 88 82.604 1.215 -13.705 1.00 0.66 H new ATOM 0 HE1 TYR A 88 81.977 2.418 -8.861 1.00 0.70 H new ATOM 0 HE2 TYR A 88 84.512 2.203 -12.399 1.00 0.77 H new ATOM 0 HH TYR A 88 85.211 3.009 -10.401 1.00 0.80 H new