USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 678 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 28 TYR OH : rot 180:sc= 0.76 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 54 LYS NZ :NH3+ -119:sc= 1.1 (180deg=-2.1!) USER MOD Set 2.1: A 29 SER OG : rot -85:sc= 0.723 USER MOD Set 2.2: A 30 HIS : no HE2:sc= 0.401 K(o=1.1,f=-11!) USER MOD Single : A 7 LYS NZ :NH3+ -119:sc= 1.22 (180deg=-0.515) USER MOD Single : A 13 LYS NZ :NH3+ -137:sc= -0.936 (180deg=-3.5!) USER MOD Single : A 14 HIS : no HE2:sc= -0.784! C(o=-0.78!,f=-5.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.09 K(o=-2.1,f=-2.9!) USER MOD Single : A 35 THR OG1 : rot -78:sc= 0.857 USER MOD Single : A 40 ASN : amide:sc= -0.371 K(o=-0.37,f=-1.7) USER MOD Single : A 41 THR OG1 : rot -173:sc= 0.891 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -133:sc= 1.18 (180deg=-1.02) USER MOD Single : A 52 LYS NZ :NH3+ -121:sc= 2.66 (180deg=-0.56) USER MOD Single : A 59 ASN : amide:sc= -0.679 K(o=-0.68,f=-4.9!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 75:sc= 1.16 USER MOD Single : A 65 SER OG : rot 155:sc= 0.707 USER MOD Single : A 66 LYS NZ :NH3+ 158:sc= -0.0678 (180deg=-0.57) USER MOD Single : A 70 MET CE :methyl -104:sc= -0.381 (180deg=-5.26!) USER MOD Single : A 71 LYS NZ :NH3+ -127:sc= 1.17 (180deg=-0.242) USER MOD Single : A 73 TYR OH : rot 82:sc= -1.52! USER MOD Single : A 76 LYS NZ :NH3+ 150:sc= -4.24! (180deg=-4.3!) USER MOD Single : A 81 LYS NZ :NH3+ 166:sc= -0.641! (180deg=-0.696!) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.232) USER MOD Single : A 83 LYS NZ :NH3+ -136:sc= -0.664 (180deg=-7.21!) USER MOD Single : A 84 TYR OH : rot 150:sc= -1.2 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 3.337 3.610 -3.033 1.00 0.55 N ATOM 32 CA ALA A 3 4.444 4.132 -2.167 1.00 0.66 C ATOM 33 C ALA A 3 5.543 3.118 -1.802 1.00 0.77 C ATOM 34 O ALA A 3 6.706 3.368 -2.039 1.00 1.06 O ATOM 35 CB ALA A 3 3.803 4.690 -0.885 1.00 0.83 C ATOM 0 HA ALA A 3 4.965 4.892 -2.749 1.00 0.66 H new ATOM 0 HB1 ALA A 3 4.581 5.080 -0.229 1.00 0.83 H new ATOM 0 HB2 ALA A 3 3.111 5.492 -1.143 1.00 0.83 H new ATOM 0 HB3 ALA A 3 3.262 3.895 -0.373 1.00 0.83 H new ATOM 41 N GLU A 4 5.157 2.012 -1.214 1.00 0.74 N ATOM 42 CA GLU A 4 6.115 0.957 -0.811 1.00 0.85 C ATOM 43 C GLU A 4 7.303 0.805 -1.672 1.00 0.76 C ATOM 44 O GLU A 4 8.391 0.510 -1.235 1.00 0.85 O ATOM 45 CB GLU A 4 5.287 -0.324 -0.681 1.00 0.78 C ATOM 46 CG GLU A 4 4.792 -0.437 0.808 1.00 1.37 C ATOM 47 CD GLU A 4 3.979 0.785 1.242 1.00 3.24 C ATOM 48 OE1 GLU A 4 4.606 1.818 1.409 1.00 4.85 O ATOM 49 OE2 GLU A 4 2.786 0.618 1.380 1.00 3.91 O ATOM 0 H GLU A 4 4.184 1.799 -0.994 1.00 0.74 H new ATOM 0 HA GLU A 4 6.583 1.236 0.133 1.00 0.85 H new ATOM 0 HB2 GLU A 4 4.438 -0.299 -1.364 1.00 0.78 H new ATOM 0 HB3 GLU A 4 5.887 -1.194 -0.950 1.00 0.78 H new ATOM 0 HG2 GLU A 4 4.183 -1.334 0.919 1.00 1.37 H new ATOM 0 HG3 GLU A 4 5.652 -0.552 1.467 1.00 1.37 H new ATOM 56 N PHE A 5 7.073 1.031 -2.898 1.00 0.73 N ATOM 57 CA PHE A 5 8.177 0.916 -3.845 1.00 0.69 C ATOM 58 C PHE A 5 9.172 2.088 -3.613 1.00 0.74 C ATOM 59 O PHE A 5 10.331 1.880 -3.315 1.00 0.68 O ATOM 60 CB PHE A 5 7.467 0.939 -5.092 1.00 0.70 C ATOM 61 CG PHE A 5 8.556 1.043 -6.153 1.00 0.68 C ATOM 62 CD1 PHE A 5 9.360 -0.002 -6.571 1.00 2.79 C ATOM 63 CD2 PHE A 5 8.757 2.283 -6.671 1.00 2.08 C ATOM 64 CE1 PHE A 5 10.355 0.228 -7.508 1.00 3.03 C ATOM 65 CE2 PHE A 5 9.721 2.515 -7.578 1.00 1.85 C ATOM 66 CZ PHE A 5 10.527 1.503 -8.008 1.00 0.95 C ATOM 0 H PHE A 5 6.170 1.291 -3.295 1.00 0.73 H new ATOM 0 HA PHE A 5 8.813 0.034 -3.772 1.00 0.69 H new ATOM 0 HB2 PHE A 5 6.869 0.037 -5.225 1.00 0.70 H new ATOM 0 HB3 PHE A 5 6.782 1.785 -5.143 1.00 0.70 H new ATOM 0 HD1 PHE A 5 9.213 -0.993 -6.169 1.00 2.79 H new ATOM 0 HD2 PHE A 5 8.129 3.099 -6.347 1.00 2.08 H new ATOM 0 HE1 PHE A 5 10.988 -0.580 -7.843 1.00 3.03 H new ATOM 0 HE2 PHE A 5 9.858 3.512 -7.970 1.00 1.85 H new ATOM 0 HZ PHE A 5 11.298 1.698 -8.738 1.00 0.95 H new ATOM 76 N ASP A 6 8.701 3.291 -3.763 1.00 0.94 N ATOM 77 CA ASP A 6 9.538 4.495 -3.561 1.00 1.13 C ATOM 78 C ASP A 6 10.218 4.386 -2.205 1.00 0.95 C ATOM 79 O ASP A 6 11.398 4.581 -2.010 1.00 1.03 O ATOM 80 CB ASP A 6 8.584 5.653 -3.646 1.00 1.44 C ATOM 81 CG ASP A 6 8.010 5.783 -5.037 1.00 1.97 C ATOM 82 OD1 ASP A 6 7.244 4.904 -5.385 1.00 2.16 O ATOM 83 OD2 ASP A 6 8.380 6.756 -5.656 1.00 2.36 O ATOM 0 H ASP A 6 7.736 3.492 -4.026 1.00 0.94 H new ATOM 0 HA ASP A 6 10.332 4.616 -4.298 1.00 1.13 H new ATOM 0 HB2 ASP A 6 7.776 5.516 -2.927 1.00 1.44 H new ATOM 0 HB3 ASP A 6 9.100 6.574 -3.374 1.00 1.44 H new ATOM 88 N LYS A 7 9.371 4.022 -1.296 1.00 0.76 N ATOM 89 CA LYS A 7 9.797 3.849 0.115 1.00 0.62 C ATOM 90 C LYS A 7 10.929 2.822 0.147 1.00 0.60 C ATOM 91 O LYS A 7 11.949 3.024 0.770 1.00 0.66 O ATOM 92 CB LYS A 7 8.608 3.347 0.927 1.00 0.83 C ATOM 93 CG LYS A 7 9.061 3.147 2.380 1.00 1.04 C ATOM 94 CD LYS A 7 7.876 2.542 3.157 1.00 1.94 C ATOM 95 CE LYS A 7 8.319 2.242 4.590 1.00 2.18 C ATOM 96 NZ LYS A 7 9.219 1.053 4.542 1.00 3.88 N ATOM 0 H LYS A 7 8.384 3.833 -1.471 1.00 0.76 H new ATOM 0 HA LYS A 7 10.145 4.791 0.538 1.00 0.62 H new ATOM 0 HB2 LYS A 7 7.788 4.064 0.881 1.00 0.83 H new ATOM 0 HB3 LYS A 7 8.236 2.410 0.514 1.00 0.83 H new ATOM 0 HG2 LYS A 7 9.926 2.485 2.424 1.00 1.04 H new ATOM 0 HG3 LYS A 7 9.364 4.097 2.821 1.00 1.04 H new ATOM 0 HD2 LYS A 7 7.035 3.236 3.161 1.00 1.94 H new ATOM 0 HD3 LYS A 7 7.534 1.629 2.670 1.00 1.94 H new ATOM 0 HE2 LYS A 7 8.839 3.099 5.018 1.00 2.18 H new ATOM 0 HE3 LYS A 7 7.455 2.044 5.225 1.00 2.18 H new ATOM 0 HZ1 LYS A 7 8.805 0.282 5.104 1.00 3.88 H new ATOM 0 HZ2 LYS A 7 9.331 0.742 3.556 1.00 3.88 H new ATOM 0 HZ3 LYS A 7 10.149 1.306 4.933 1.00 3.88 H new ATOM 110 N ALA A 8 10.716 1.749 -0.567 1.00 0.59 N ATOM 111 CA ALA A 8 11.751 0.679 -0.595 1.00 0.57 C ATOM 112 C ALA A 8 13.013 1.323 -1.205 1.00 0.64 C ATOM 113 O ALA A 8 14.100 1.216 -0.672 1.00 0.54 O ATOM 114 CB ALA A 8 11.174 -0.486 -1.435 1.00 0.52 C ATOM 0 H ALA A 8 9.881 1.569 -1.125 1.00 0.59 H new ATOM 0 HA ALA A 8 12.016 0.272 0.381 1.00 0.57 H new ATOM 0 HB1 ALA A 8 11.902 -1.296 -1.482 1.00 0.52 H new ATOM 0 HB2 ALA A 8 10.257 -0.849 -0.971 1.00 0.52 H new ATOM 0 HB3 ALA A 8 10.956 -0.134 -2.443 1.00 0.52 H new ATOM 120 N ALA A 9 12.874 2.002 -2.313 1.00 0.84 N ATOM 121 CA ALA A 9 14.056 2.657 -2.956 1.00 0.91 C ATOM 122 C ALA A 9 14.770 3.562 -1.953 1.00 0.82 C ATOM 123 O ALA A 9 15.970 3.423 -1.794 1.00 0.83 O ATOM 124 CB ALA A 9 13.547 3.445 -4.183 1.00 1.06 C ATOM 0 H ALA A 9 11.990 2.133 -2.804 1.00 0.84 H new ATOM 0 HA ALA A 9 14.784 1.914 -3.282 1.00 0.91 H new ATOM 0 HB1 ALA A 9 14.387 3.935 -4.675 1.00 1.06 H new ATOM 0 HB2 ALA A 9 13.067 2.760 -4.882 1.00 1.06 H new ATOM 0 HB3 ALA A 9 12.827 4.197 -3.860 1.00 1.06 H new ATOM 130 N GLU A 10 14.042 4.449 -1.318 1.00 0.80 N ATOM 131 CA GLU A 10 14.664 5.358 -0.314 1.00 0.74 C ATOM 132 C GLU A 10 15.447 4.466 0.639 1.00 0.53 C ATOM 133 O GLU A 10 16.641 4.620 0.820 1.00 0.48 O ATOM 134 CB GLU A 10 13.592 6.125 0.500 1.00 0.79 C ATOM 135 CG GLU A 10 12.749 7.031 -0.419 1.00 1.17 C ATOM 136 CD GLU A 10 12.024 8.099 0.403 1.00 1.30 C ATOM 137 OE1 GLU A 10 11.188 7.729 1.215 1.00 1.48 O ATOM 138 OE2 GLU A 10 12.376 9.239 0.153 1.00 3.27 O ATOM 0 H GLU A 10 13.040 4.580 -1.455 1.00 0.80 H new ATOM 0 HA GLU A 10 15.290 6.095 -0.817 1.00 0.74 H new ATOM 0 HB2 GLU A 10 12.943 5.416 1.013 1.00 0.79 H new ATOM 0 HB3 GLU A 10 14.075 6.728 1.268 1.00 0.79 H new ATOM 0 HG2 GLU A 10 13.392 7.507 -1.159 1.00 1.17 H new ATOM 0 HG3 GLU A 10 12.023 6.430 -0.966 1.00 1.17 H new ATOM 145 N GLU A 11 14.736 3.539 1.204 1.00 0.44 N ATOM 146 CA GLU A 11 15.375 2.600 2.166 1.00 0.25 C ATOM 147 C GLU A 11 16.615 1.891 1.566 1.00 0.36 C ATOM 148 O GLU A 11 17.619 1.773 2.241 1.00 0.60 O ATOM 149 CB GLU A 11 14.272 1.627 2.609 1.00 0.18 C ATOM 150 CG GLU A 11 13.233 2.488 3.441 1.00 0.14 C ATOM 151 CD GLU A 11 13.020 2.018 4.880 1.00 0.18 C ATOM 152 OE1 GLU A 11 14.001 1.996 5.598 1.00 2.10 O ATOM 153 OE2 GLU A 11 11.870 1.709 5.172 1.00 1.73 O ATOM 0 H GLU A 11 13.740 3.388 1.044 1.00 0.44 H new ATOM 0 HA GLU A 11 15.776 3.132 3.028 1.00 0.25 H new ATOM 0 HB2 GLU A 11 13.792 1.164 1.747 1.00 0.18 H new ATOM 0 HB3 GLU A 11 14.684 0.821 3.216 1.00 0.18 H new ATOM 0 HG2 GLU A 11 13.572 3.524 3.458 1.00 0.14 H new ATOM 0 HG3 GLU A 11 12.274 2.475 2.923 1.00 0.14 H new ATOM 160 N VAL A 12 16.571 1.443 0.333 1.00 0.35 N ATOM 161 CA VAL A 12 17.769 0.750 -0.251 1.00 0.50 C ATOM 162 C VAL A 12 18.878 1.815 -0.345 1.00 0.53 C ATOM 163 O VAL A 12 19.984 1.578 0.094 1.00 0.63 O ATOM 164 CB VAL A 12 17.386 0.142 -1.651 1.00 0.68 C ATOM 165 CG1 VAL A 12 17.798 0.983 -2.867 1.00 0.91 C ATOM 166 CG2 VAL A 12 18.076 -1.218 -1.819 1.00 0.79 C ATOM 0 H VAL A 12 15.768 1.525 -0.290 1.00 0.35 H new ATOM 0 HA VAL A 12 18.118 -0.083 0.360 1.00 0.50 H new ATOM 0 HB VAL A 12 16.297 0.088 -1.637 1.00 0.68 H new ATOM 0 HG11 VAL A 12 17.488 0.477 -3.781 1.00 0.91 H new ATOM 0 HG12 VAL A 12 17.318 1.960 -2.813 1.00 0.91 H new ATOM 0 HG13 VAL A 12 18.881 1.110 -2.871 1.00 0.91 H new ATOM 0 HG21 VAL A 12 17.813 -1.642 -2.788 1.00 0.79 H new ATOM 0 HG22 VAL A 12 19.157 -1.087 -1.761 1.00 0.79 H new ATOM 0 HG23 VAL A 12 17.749 -1.892 -1.027 1.00 0.79 H new ATOM 176 N LYS A 13 18.572 2.962 -0.905 1.00 0.52 N ATOM 177 CA LYS A 13 19.566 4.078 -1.037 1.00 0.47 C ATOM 178 C LYS A 13 20.210 4.346 0.356 1.00 0.38 C ATOM 179 O LYS A 13 21.361 4.708 0.467 1.00 0.77 O ATOM 180 CB LYS A 13 18.804 5.333 -1.590 1.00 0.42 C ATOM 181 CG LYS A 13 19.433 5.738 -2.959 1.00 1.51 C ATOM 182 CD LYS A 13 18.686 6.883 -3.755 1.00 1.21 C ATOM 183 CE LYS A 13 18.616 8.260 -3.049 1.00 0.90 C ATOM 184 NZ LYS A 13 17.705 8.147 -1.858 1.00 2.67 N ATOM 0 H LYS A 13 17.651 3.177 -1.286 1.00 0.52 H new ATOM 0 HA LYS A 13 20.372 3.828 -1.727 1.00 0.47 H new ATOM 0 HB2 LYS A 13 17.745 5.108 -1.713 1.00 0.42 H new ATOM 0 HB3 LYS A 13 18.874 6.159 -0.883 1.00 0.42 H new ATOM 0 HG2 LYS A 13 20.461 6.056 -2.784 1.00 1.51 H new ATOM 0 HG3 LYS A 13 19.477 4.852 -3.592 1.00 1.51 H new ATOM 0 HD2 LYS A 13 19.182 7.014 -4.717 1.00 1.21 H new ATOM 0 HD3 LYS A 13 17.669 6.551 -3.963 1.00 1.21 H new ATOM 0 HE2 LYS A 13 19.611 8.574 -2.735 1.00 0.90 H new ATOM 0 HE3 LYS A 13 18.245 9.019 -3.738 1.00 0.90 H new ATOM 0 HZ1 LYS A 13 17.087 8.982 -1.814 1.00 2.67 H new ATOM 0 HZ2 LYS A 13 17.123 7.290 -1.946 1.00 2.67 H new ATOM 0 HZ3 LYS A 13 18.274 8.091 -0.989 1.00 2.67 H new ATOM 198 N HIS A 14 19.415 4.145 1.367 1.00 0.40 N ATOM 199 CA HIS A 14 19.868 4.355 2.786 1.00 0.72 C ATOM 200 C HIS A 14 20.616 3.147 3.405 1.00 0.99 C ATOM 201 O HIS A 14 21.078 3.244 4.526 1.00 1.24 O ATOM 202 CB HIS A 14 18.637 4.701 3.662 1.00 0.80 C ATOM 203 CG HIS A 14 18.141 6.108 3.325 1.00 0.78 C ATOM 204 ND1 HIS A 14 17.081 6.347 2.644 1.00 0.72 N ATOM 205 CD2 HIS A 14 18.637 7.363 3.627 1.00 0.92 C ATOM 206 CE1 HIS A 14 16.905 7.625 2.513 1.00 0.89 C ATOM 207 NE2 HIS A 14 17.858 8.295 3.112 1.00 1.00 N ATOM 0 H HIS A 14 18.447 3.837 1.276 1.00 0.40 H new ATOM 0 HA HIS A 14 20.588 5.173 2.761 1.00 0.72 H new ATOM 0 HB2 HIS A 14 17.842 3.975 3.492 1.00 0.80 H new ATOM 0 HB3 HIS A 14 18.902 4.642 4.718 1.00 0.80 H new ATOM 0 HD1 HIS A 14 16.463 5.632 2.259 1.00 0.72 H new ATOM 0 HD2 HIS A 14 19.532 7.553 4.201 1.00 0.92 H new ATOM 0 HE1 HIS A 14 16.081 8.077 1.980 1.00 0.89 H new ATOM 215 N LEU A 15 20.722 2.039 2.708 1.00 1.00 N ATOM 216 CA LEU A 15 21.459 0.859 3.275 1.00 1.31 C ATOM 217 C LEU A 15 22.896 1.278 3.611 1.00 1.64 C ATOM 218 O LEU A 15 23.463 2.142 2.973 1.00 2.29 O ATOM 219 CB LEU A 15 21.562 -0.289 2.249 1.00 1.25 C ATOM 220 CG LEU A 15 20.253 -1.028 2.015 1.00 0.73 C ATOM 221 CD1 LEU A 15 20.536 -2.106 0.967 1.00 1.04 C ATOM 222 CD2 LEU A 15 19.785 -1.736 3.278 1.00 1.23 C ATOM 0 H LEU A 15 20.333 1.899 1.776 1.00 1.00 H new ATOM 0 HA LEU A 15 20.911 0.523 4.155 1.00 1.31 H new ATOM 0 HB2 LEU A 15 21.914 0.116 1.300 1.00 1.25 H new ATOM 0 HB3 LEU A 15 22.314 -1.001 2.590 1.00 1.25 H new ATOM 0 HG LEU A 15 19.487 -0.318 1.705 1.00 0.73 H new ATOM 0 HD11 LEU A 15 19.623 -2.666 0.765 1.00 1.04 H new ATOM 0 HD12 LEU A 15 20.885 -1.637 0.047 1.00 1.04 H new ATOM 0 HD13 LEU A 15 21.302 -2.785 1.341 1.00 1.04 H new ATOM 0 HD21 LEU A 15 18.847 -2.255 3.078 1.00 1.23 H new ATOM 0 HD22 LEU A 15 20.539 -2.458 3.591 1.00 1.23 H new ATOM 0 HD23 LEU A 15 19.633 -1.003 4.071 1.00 1.23 H new ATOM 234 N LYS A 16 23.482 0.664 4.600 1.00 1.42 N ATOM 235 CA LYS A 16 24.896 1.048 4.951 1.00 1.52 C ATOM 236 C LYS A 16 25.822 0.747 3.752 1.00 1.14 C ATOM 237 O LYS A 16 26.775 1.450 3.481 1.00 1.35 O ATOM 238 CB LYS A 16 25.333 0.236 6.220 1.00 1.68 C ATOM 239 CG LYS A 16 26.532 0.895 7.008 1.00 2.74 C ATOM 240 CD LYS A 16 27.842 0.992 6.157 1.00 3.59 C ATOM 241 CE LYS A 16 29.036 1.465 6.995 1.00 5.23 C ATOM 242 NZ LYS A 16 30.241 1.555 6.096 1.00 7.29 N ATOM 0 H LYS A 16 23.065 -0.069 5.173 1.00 1.42 H new ATOM 0 HA LYS A 16 24.963 2.113 5.172 1.00 1.52 H new ATOM 0 HB2 LYS A 16 24.479 0.137 6.890 1.00 1.68 H new ATOM 0 HB3 LYS A 16 25.618 -0.771 5.916 1.00 1.68 H new ATOM 0 HG2 LYS A 16 26.241 1.894 7.332 1.00 2.74 H new ATOM 0 HG3 LYS A 16 26.732 0.313 7.908 1.00 2.74 H new ATOM 0 HD2 LYS A 16 28.066 0.017 5.724 1.00 3.59 H new ATOM 0 HD3 LYS A 16 27.685 1.681 5.327 1.00 3.59 H new ATOM 0 HE2 LYS A 16 28.824 2.436 7.443 1.00 5.23 H new ATOM 0 HE3 LYS A 16 29.224 0.770 7.813 1.00 5.23 H new ATOM 0 HZ1 LYS A 16 31.063 1.875 6.648 1.00 7.29 H new ATOM 0 HZ2 LYS A 16 30.441 0.619 5.688 1.00 7.29 H new ATOM 0 HZ3 LYS A 16 30.053 2.233 5.330 1.00 7.29 H new ATOM 256 N THR A 17 25.490 -0.311 3.079 1.00 1.05 N ATOM 257 CA THR A 17 26.291 -0.749 1.889 1.00 1.21 C ATOM 258 C THR A 17 25.633 -0.800 0.517 1.00 1.73 C ATOM 259 O THR A 17 24.444 -0.926 0.335 1.00 2.94 O ATOM 260 CB THR A 17 26.872 -2.150 2.225 1.00 0.85 C ATOM 261 OG1 THR A 17 28.135 -1.803 2.756 1.00 1.36 O ATOM 262 CG2 THR A 17 27.334 -3.014 1.061 1.00 1.63 C ATOM 0 H THR A 17 24.690 -0.905 3.298 1.00 1.05 H new ATOM 0 HA THR A 17 27.024 0.047 1.755 1.00 1.21 H new ATOM 0 HB THR A 17 26.108 -2.688 2.787 1.00 0.85 H new ATOM 0 HG1 THR A 17 28.616 -2.617 3.016 1.00 1.36 H new ATOM 0 HG21 THR A 17 27.716 -3.962 1.440 1.00 1.63 H new ATOM 0 HG22 THR A 17 26.494 -3.203 0.392 1.00 1.63 H new ATOM 0 HG23 THR A 17 28.124 -2.497 0.515 1.00 1.63 H new ATOM 270 N LYS A 18 26.523 -0.715 -0.420 1.00 0.78 N ATOM 271 CA LYS A 18 26.244 -0.745 -1.861 1.00 0.98 C ATOM 272 C LYS A 18 26.293 -2.272 -2.064 1.00 0.96 C ATOM 273 O LYS A 18 27.373 -2.830 -1.995 1.00 1.30 O ATOM 274 CB LYS A 18 27.400 -0.033 -2.620 1.00 1.05 C ATOM 275 CG LYS A 18 28.108 1.028 -1.717 1.00 2.67 C ATOM 276 CD LYS A 18 29.391 0.397 -1.101 1.00 3.08 C ATOM 277 CE LYS A 18 30.605 0.691 -2.011 1.00 2.79 C ATOM 278 NZ LYS A 18 31.802 -0.035 -1.480 1.00 1.07 N ATOM 0 H LYS A 18 27.517 -0.618 -0.214 1.00 0.78 H new ATOM 0 HA LYS A 18 25.330 -0.260 -2.204 1.00 0.98 H new ATOM 0 HB2 LYS A 18 28.128 -0.773 -2.954 1.00 1.05 H new ATOM 0 HB3 LYS A 18 27.006 0.452 -3.513 1.00 1.05 H new ATOM 0 HG2 LYS A 18 28.367 1.909 -2.304 1.00 2.67 H new ATOM 0 HG3 LYS A 18 27.434 1.359 -0.926 1.00 2.67 H new ATOM 0 HD2 LYS A 18 29.565 0.803 -0.104 1.00 3.08 H new ATOM 0 HD3 LYS A 18 29.261 -0.679 -0.989 1.00 3.08 H new ATOM 0 HE2 LYS A 18 30.395 0.373 -3.032 1.00 2.79 H new ATOM 0 HE3 LYS A 18 30.799 1.763 -2.044 1.00 2.79 H new ATOM 0 HZ1 LYS A 18 32.623 0.158 -2.088 1.00 1.07 H new ATOM 0 HZ2 LYS A 18 32.004 0.289 -0.512 1.00 1.07 H new ATOM 0 HZ3 LYS A 18 31.612 -1.057 -1.470 1.00 1.07 H new ATOM 292 N PRO A 19 25.186 -2.937 -2.279 1.00 0.70 N ATOM 293 CA PRO A 19 25.231 -4.408 -2.474 1.00 0.60 C ATOM 294 C PRO A 19 26.071 -4.771 -3.722 1.00 0.74 C ATOM 295 O PRO A 19 26.593 -3.907 -4.403 1.00 1.05 O ATOM 296 CB PRO A 19 23.712 -4.763 -2.499 1.00 0.37 C ATOM 297 CG PRO A 19 23.067 -3.574 -1.715 1.00 0.67 C ATOM 298 CD PRO A 19 23.797 -2.400 -2.331 1.00 0.78 C ATOM 0 HA PRO A 19 25.741 -4.993 -1.709 1.00 0.60 H new ATOM 0 HB2 PRO A 19 23.329 -4.831 -3.517 1.00 0.37 H new ATOM 0 HB3 PRO A 19 23.512 -5.721 -2.018 1.00 0.37 H new ATOM 0 HG2 PRO A 19 21.989 -3.516 -1.866 1.00 0.67 H new ATOM 0 HG3 PRO A 19 23.235 -3.648 -0.641 1.00 0.67 H new ATOM 0 HD2 PRO A 19 23.466 -2.185 -3.347 1.00 0.78 H new ATOM 0 HD3 PRO A 19 23.679 -1.482 -1.756 1.00 0.78 H new ATOM 306 N ALA A 20 26.190 -6.033 -4.030 1.00 0.64 N ATOM 307 CA ALA A 20 27.001 -6.434 -5.226 1.00 1.08 C ATOM 308 C ALA A 20 26.240 -6.130 -6.536 1.00 0.76 C ATOM 309 O ALA A 20 25.029 -5.991 -6.534 1.00 0.62 O ATOM 310 CB ALA A 20 27.290 -7.937 -5.078 1.00 1.49 C ATOM 0 H ALA A 20 25.766 -6.803 -3.513 1.00 0.64 H new ATOM 0 HA ALA A 20 27.932 -5.869 -5.277 1.00 1.08 H new ATOM 0 HB1 ALA A 20 27.881 -8.279 -5.928 1.00 1.49 H new ATOM 0 HB2 ALA A 20 27.845 -8.112 -4.156 1.00 1.49 H new ATOM 0 HB3 ALA A 20 26.349 -8.487 -5.045 1.00 1.49 H new ATOM 316 N ASP A 21 26.965 -6.026 -7.613 1.00 0.65 N ATOM 317 CA ASP A 21 26.342 -5.738 -8.925 1.00 0.38 C ATOM 318 C ASP A 21 25.068 -6.568 -9.168 1.00 0.37 C ATOM 319 O ASP A 21 24.030 -5.979 -9.335 1.00 0.33 O ATOM 320 CB ASP A 21 27.475 -5.980 -9.954 1.00 0.39 C ATOM 321 CG ASP A 21 28.595 -4.949 -9.741 1.00 0.52 C ATOM 322 OD1 ASP A 21 29.314 -5.169 -8.773 1.00 1.90 O ATOM 323 OD2 ASP A 21 28.664 -4.016 -10.533 1.00 2.60 O ATOM 0 H ASP A 21 27.979 -6.131 -7.636 1.00 0.65 H new ATOM 0 HA ASP A 21 25.969 -4.716 -8.999 1.00 0.38 H new ATOM 0 HB2 ASP A 21 27.871 -6.990 -9.843 1.00 0.39 H new ATOM 0 HB3 ASP A 21 27.082 -5.901 -10.968 1.00 0.39 H new ATOM 328 N GLU A 22 25.085 -7.869 -9.190 1.00 0.38 N ATOM 329 CA GLU A 22 23.807 -8.637 -9.428 1.00 0.40 C ATOM 330 C GLU A 22 22.563 -8.091 -8.647 1.00 0.44 C ATOM 331 O GLU A 22 21.465 -7.926 -9.158 1.00 0.65 O ATOM 332 CB GLU A 22 24.030 -10.127 -9.038 1.00 0.36 C ATOM 333 CG GLU A 22 25.309 -10.736 -9.723 1.00 0.63 C ATOM 334 CD GLU A 22 26.631 -10.503 -8.960 1.00 2.58 C ATOM 335 OE1 GLU A 22 26.618 -9.808 -7.957 1.00 3.43 O ATOM 336 OE2 GLU A 22 27.593 -11.060 -9.460 1.00 4.10 O ATOM 0 H GLU A 22 25.918 -8.443 -9.056 1.00 0.38 H new ATOM 0 HA GLU A 22 23.578 -8.520 -10.487 1.00 0.40 H new ATOM 0 HB2 GLU A 22 24.127 -10.207 -7.955 1.00 0.36 H new ATOM 0 HB3 GLU A 22 23.155 -10.710 -9.323 1.00 0.36 H new ATOM 0 HG2 GLU A 22 25.161 -11.809 -9.845 1.00 0.63 H new ATOM 0 HG3 GLU A 22 25.404 -10.312 -10.723 1.00 0.63 H new ATOM 343 N GLU A 23 22.773 -7.800 -7.392 1.00 0.43 N ATOM 344 CA GLU A 23 21.641 -7.276 -6.564 1.00 0.44 C ATOM 345 C GLU A 23 21.381 -5.833 -7.079 1.00 0.43 C ATOM 346 O GLU A 23 20.233 -5.517 -7.354 1.00 0.44 O ATOM 347 CB GLU A 23 22.117 -7.401 -5.080 1.00 0.46 C ATOM 348 CG GLU A 23 22.177 -8.961 -4.658 1.00 0.50 C ATOM 349 CD GLU A 23 20.844 -9.539 -4.096 1.00 1.39 C ATOM 350 OE1 GLU A 23 20.093 -8.839 -3.446 1.00 0.83 O ATOM 351 OE2 GLU A 23 20.511 -10.699 -4.269 1.00 3.39 O ATOM 0 H GLU A 23 23.665 -7.899 -6.907 1.00 0.43 H new ATOM 0 HA GLU A 23 20.691 -7.806 -6.633 1.00 0.44 H new ATOM 0 HB2 GLU A 23 23.100 -6.944 -4.963 1.00 0.46 H new ATOM 0 HB3 GLU A 23 21.435 -6.862 -4.422 1.00 0.46 H new ATOM 0 HG2 GLU A 23 22.472 -9.547 -5.528 1.00 0.50 H new ATOM 0 HG3 GLU A 23 22.957 -9.090 -3.908 1.00 0.50 H new ATOM 358 N MET A 24 22.425 -5.040 -7.188 1.00 0.38 N ATOM 359 CA MET A 24 22.337 -3.622 -7.692 1.00 0.33 C ATOM 360 C MET A 24 21.484 -3.614 -8.980 1.00 0.35 C ATOM 361 O MET A 24 20.618 -2.798 -9.184 1.00 0.41 O ATOM 362 CB MET A 24 23.769 -3.169 -7.959 1.00 0.16 C ATOM 363 CG MET A 24 24.554 -3.079 -6.639 1.00 0.24 C ATOM 364 SD MET A 24 24.226 -1.631 -5.614 1.00 0.31 S ATOM 365 CE MET A 24 25.434 -0.558 -6.425 1.00 0.61 C ATOM 0 H MET A 24 23.371 -5.327 -6.939 1.00 0.38 H new ATOM 0 HA MET A 24 21.866 -2.946 -6.978 1.00 0.33 H new ATOM 0 HB2 MET A 24 24.259 -3.870 -8.635 1.00 0.16 H new ATOM 0 HB3 MET A 24 23.764 -2.198 -8.454 1.00 0.16 H new ATOM 0 HG2 MET A 24 24.338 -3.971 -6.051 1.00 0.24 H new ATOM 0 HG3 MET A 24 25.619 -3.100 -6.871 1.00 0.24 H new ATOM 0 HE1 MET A 24 25.420 0.425 -5.955 1.00 0.61 H new ATOM 0 HE2 MET A 24 26.429 -0.992 -6.329 1.00 0.61 H new ATOM 0 HE3 MET A 24 25.182 -0.459 -7.481 1.00 0.61 H new ATOM 375 N LEU A 25 21.822 -4.566 -9.805 1.00 0.38 N ATOM 376 CA LEU A 25 21.235 -4.887 -11.124 1.00 0.42 C ATOM 377 C LEU A 25 19.734 -5.155 -11.012 1.00 0.55 C ATOM 378 O LEU A 25 18.923 -4.457 -11.593 1.00 0.71 O ATOM 379 CB LEU A 25 21.974 -6.122 -11.659 1.00 0.24 C ATOM 380 CG LEU A 25 23.230 -5.810 -12.466 1.00 0.29 C ATOM 381 CD1 LEU A 25 23.769 -7.111 -13.049 1.00 0.28 C ATOM 382 CD2 LEU A 25 22.889 -4.880 -13.650 1.00 0.54 C ATOM 0 H LEU A 25 22.580 -5.207 -9.573 1.00 0.38 H new ATOM 0 HA LEU A 25 21.350 -4.044 -11.806 1.00 0.42 H new ATOM 0 HB2 LEU A 25 22.247 -6.758 -10.817 1.00 0.24 H new ATOM 0 HB3 LEU A 25 21.290 -6.696 -12.284 1.00 0.24 H new ATOM 0 HG LEU A 25 23.958 -5.330 -11.812 1.00 0.29 H new ATOM 0 HD11 LEU A 25 24.668 -6.905 -13.630 1.00 0.28 H new ATOM 0 HD12 LEU A 25 24.010 -7.800 -12.240 1.00 0.28 H new ATOM 0 HD13 LEU A 25 23.015 -7.560 -13.695 1.00 0.28 H new ATOM 0 HD21 LEU A 25 23.795 -4.666 -14.217 1.00 0.54 H new ATOM 0 HD22 LEU A 25 22.162 -5.368 -14.299 1.00 0.54 H new ATOM 0 HD23 LEU A 25 22.469 -3.948 -13.271 1.00 0.54 H new ATOM 394 N PHE A 26 19.382 -6.172 -10.261 1.00 0.63 N ATOM 395 CA PHE A 26 17.924 -6.489 -10.104 1.00 0.69 C ATOM 396 C PHE A 26 17.212 -5.223 -9.623 1.00 0.67 C ATOM 397 O PHE A 26 16.264 -4.744 -10.219 1.00 0.73 O ATOM 398 CB PHE A 26 17.771 -7.609 -9.075 1.00 0.64 C ATOM 399 CG PHE A 26 16.288 -7.986 -8.900 1.00 0.68 C ATOM 400 CD1 PHE A 26 15.369 -7.099 -8.358 1.00 2.06 C ATOM 401 CD2 PHE A 26 15.850 -9.239 -9.280 1.00 2.79 C ATOM 402 CE1 PHE A 26 14.053 -7.460 -8.202 1.00 2.07 C ATOM 403 CE2 PHE A 26 14.528 -9.603 -9.124 1.00 2.83 C ATOM 404 CZ PHE A 26 13.636 -8.708 -8.585 1.00 0.84 C ATOM 0 H PHE A 26 20.024 -6.785 -9.759 1.00 0.63 H new ATOM 0 HA PHE A 26 17.489 -6.816 -11.048 1.00 0.69 H new ATOM 0 HB2 PHE A 26 18.339 -8.483 -9.394 1.00 0.64 H new ATOM 0 HB3 PHE A 26 18.186 -7.291 -8.119 1.00 0.64 H new ATOM 0 HD1 PHE A 26 15.692 -6.114 -8.055 1.00 2.06 H new ATOM 0 HD2 PHE A 26 16.551 -9.943 -9.705 1.00 2.79 H new ATOM 0 HE1 PHE A 26 13.347 -6.761 -7.778 1.00 2.07 H new ATOM 0 HE2 PHE A 26 14.196 -10.586 -9.424 1.00 2.83 H new ATOM 0 HZ PHE A 26 12.601 -8.989 -8.462 1.00 0.84 H new ATOM 414 N ILE A 27 17.722 -4.720 -8.532 1.00 0.62 N ATOM 415 CA ILE A 27 17.144 -3.485 -7.923 1.00 0.61 C ATOM 416 C ILE A 27 17.043 -2.374 -9.008 1.00 0.65 C ATOM 417 O ILE A 27 16.007 -1.772 -9.180 1.00 0.90 O ATOM 418 CB ILE A 27 18.081 -3.173 -6.749 1.00 0.70 C ATOM 419 CG1 ILE A 27 17.993 -4.346 -5.693 1.00 1.25 C ATOM 420 CG2 ILE A 27 17.688 -1.860 -6.089 1.00 0.83 C ATOM 421 CD1 ILE A 27 16.709 -4.311 -4.824 1.00 1.54 C ATOM 0 H ILE A 27 18.519 -5.113 -8.032 1.00 0.62 H new ATOM 0 HA ILE A 27 16.124 -3.584 -7.552 1.00 0.61 H new ATOM 0 HB ILE A 27 19.102 -3.082 -7.121 1.00 0.70 H new ATOM 0 HG12 ILE A 27 18.039 -5.300 -6.219 1.00 1.25 H new ATOM 0 HG13 ILE A 27 18.864 -4.300 -5.039 1.00 1.25 H new ATOM 0 HG21 ILE A 27 18.363 -1.654 -5.258 1.00 0.83 H new ATOM 0 HG22 ILE A 27 17.753 -1.052 -6.818 1.00 0.83 H new ATOM 0 HG23 ILE A 27 16.666 -1.931 -5.717 1.00 0.83 H new ATOM 0 HD11 ILE A 27 16.721 -5.146 -4.124 1.00 1.54 H new ATOM 0 HD12 ILE A 27 16.670 -3.373 -4.269 1.00 1.54 H new ATOM 0 HD13 ILE A 27 15.832 -4.389 -5.467 1.00 1.54 H new ATOM 433 N TYR A 28 18.107 -2.120 -9.725 1.00 0.43 N ATOM 434 CA TYR A 28 18.142 -1.087 -10.809 1.00 0.43 C ATOM 435 C TYR A 28 17.084 -1.363 -11.895 1.00 0.49 C ATOM 436 O TYR A 28 16.227 -0.539 -12.137 1.00 0.53 O ATOM 437 CB TYR A 28 19.526 -1.118 -11.410 1.00 0.28 C ATOM 438 CG TYR A 28 19.712 -0.014 -12.451 1.00 0.31 C ATOM 439 CD1 TYR A 28 20.108 1.245 -12.052 1.00 0.41 C ATOM 440 CD2 TYR A 28 19.501 -0.255 -13.794 1.00 0.39 C ATOM 441 CE1 TYR A 28 20.301 2.242 -12.973 1.00 0.51 C ATOM 442 CE2 TYR A 28 19.693 0.750 -14.712 1.00 0.42 C ATOM 443 CZ TYR A 28 20.095 2.000 -14.311 1.00 0.47 C ATOM 444 OH TYR A 28 20.302 2.982 -15.256 1.00 0.54 O ATOM 0 H TYR A 28 18.993 -2.608 -9.598 1.00 0.43 H new ATOM 0 HA TYR A 28 17.914 -0.107 -10.391 1.00 0.43 H new ATOM 0 HB2 TYR A 28 20.269 -1.003 -10.621 1.00 0.28 H new ATOM 0 HB3 TYR A 28 19.700 -2.089 -11.873 1.00 0.28 H new ATOM 0 HD1 TYR A 28 20.268 1.448 -11.003 1.00 0.41 H new ATOM 0 HD2 TYR A 28 19.185 -1.234 -14.124 1.00 0.39 H new ATOM 0 HE1 TYR A 28 20.616 3.222 -12.646 1.00 0.51 H new ATOM 0 HE2 TYR A 28 19.526 0.554 -15.761 1.00 0.42 H new ATOM 0 HH TYR A 28 20.106 2.625 -16.147 1.00 0.54 H new ATOM 454 N SER A 29 17.184 -2.503 -12.527 1.00 0.50 N ATOM 455 CA SER A 29 16.198 -2.878 -13.609 1.00 0.53 C ATOM 456 C SER A 29 14.773 -2.628 -13.122 1.00 0.47 C ATOM 457 O SER A 29 14.018 -1.848 -13.673 1.00 0.40 O ATOM 458 CB SER A 29 16.389 -4.367 -13.960 1.00 0.56 C ATOM 459 OG SER A 29 16.387 -5.013 -12.684 1.00 0.54 O ATOM 0 H SER A 29 17.906 -3.200 -12.346 1.00 0.50 H new ATOM 0 HA SER A 29 16.371 -2.269 -14.496 1.00 0.53 H new ATOM 0 HB2 SER A 29 15.586 -4.735 -14.598 1.00 0.56 H new ATOM 0 HB3 SER A 29 17.324 -4.537 -14.495 1.00 0.56 H new ATOM 0 HG SER A 29 17.289 -4.987 -12.303 1.00 0.54 H new ATOM 465 N HIS A 30 14.468 -3.317 -12.068 1.00 0.54 N ATOM 466 CA HIS A 30 13.136 -3.218 -11.431 1.00 0.53 C ATOM 467 C HIS A 30 12.819 -1.765 -11.117 1.00 0.60 C ATOM 468 O HIS A 30 11.780 -1.300 -11.520 1.00 0.73 O ATOM 469 CB HIS A 30 13.202 -4.115 -10.205 1.00 0.44 C ATOM 470 CG HIS A 30 13.213 -5.524 -10.782 1.00 0.54 C ATOM 471 ND1 HIS A 30 14.218 -6.093 -11.359 1.00 2.65 N ATOM 472 CD2 HIS A 30 12.208 -6.461 -10.838 1.00 1.60 C ATOM 473 CE1 HIS A 30 13.875 -7.285 -11.743 1.00 2.25 C ATOM 474 NE2 HIS A 30 12.629 -7.553 -11.438 1.00 0.68 N ATOM 0 H HIS A 30 15.107 -3.965 -11.608 1.00 0.54 H new ATOM 0 HA HIS A 30 12.322 -3.549 -12.076 1.00 0.53 H new ATOM 0 HB2 HIS A 30 14.096 -3.918 -9.614 1.00 0.44 H new ATOM 0 HB3 HIS A 30 12.346 -3.959 -9.549 1.00 0.44 H new ATOM 0 HD1 HIS A 30 15.137 -5.672 -11.492 1.00 2.65 H new ATOM 0 HD2 HIS A 30 11.212 -6.320 -10.444 1.00 1.60 H new ATOM 0 HE1 HIS A 30 14.536 -7.972 -12.251 1.00 2.25 H new ATOM 482 N TYR A 31 13.678 -1.085 -10.411 1.00 0.56 N ATOM 483 CA TYR A 31 13.445 0.347 -10.078 1.00 0.60 C ATOM 484 C TYR A 31 13.117 1.190 -11.334 1.00 0.57 C ATOM 485 O TYR A 31 12.153 1.931 -11.366 1.00 0.48 O ATOM 486 CB TYR A 31 14.702 0.835 -9.389 1.00 0.71 C ATOM 487 CG TYR A 31 14.552 2.269 -8.890 1.00 0.75 C ATOM 488 CD1 TYR A 31 13.662 2.605 -7.887 1.00 2.02 C ATOM 489 CD2 TYR A 31 15.317 3.251 -9.463 1.00 2.89 C ATOM 490 CE1 TYR A 31 13.542 3.914 -7.467 1.00 1.92 C ATOM 491 CE2 TYR A 31 15.193 4.563 -9.036 1.00 2.98 C ATOM 492 CZ TYR A 31 14.306 4.896 -8.039 1.00 0.87 C ATOM 493 OH TYR A 31 14.187 6.207 -7.624 1.00 0.97 O ATOM 0 H TYR A 31 14.549 -1.469 -10.044 1.00 0.56 H new ATOM 0 HA TYR A 31 12.577 0.454 -9.428 1.00 0.60 H new ATOM 0 HB2 TYR A 31 14.934 0.180 -8.549 1.00 0.71 H new ATOM 0 HB3 TYR A 31 15.542 0.777 -10.081 1.00 0.71 H new ATOM 0 HD1 TYR A 31 13.056 1.837 -7.429 1.00 2.02 H new ATOM 0 HD2 TYR A 31 16.016 3.002 -10.247 1.00 2.89 H new ATOM 0 HE1 TYR A 31 12.842 4.165 -6.684 1.00 1.92 H new ATOM 0 HE2 TYR A 31 15.799 5.332 -9.491 1.00 2.98 H new ATOM 0 HH TYR A 31 14.805 6.770 -8.136 1.00 0.97 H new ATOM 503 N LYS A 32 13.944 1.068 -12.333 1.00 0.66 N ATOM 504 CA LYS A 32 13.698 1.848 -13.580 1.00 0.66 C ATOM 505 C LYS A 32 12.286 1.523 -14.118 1.00 0.58 C ATOM 506 O LYS A 32 11.510 2.426 -14.352 1.00 0.62 O ATOM 507 CB LYS A 32 14.797 1.459 -14.518 1.00 0.73 C ATOM 508 CG LYS A 32 16.142 1.946 -13.970 1.00 1.49 C ATOM 509 CD LYS A 32 16.277 3.490 -14.141 1.00 1.25 C ATOM 510 CE LYS A 32 17.379 3.912 -13.186 1.00 0.98 C ATOM 511 NZ LYS A 32 18.036 5.180 -13.638 1.00 2.22 N ATOM 0 H LYS A 32 14.770 0.470 -12.343 1.00 0.66 H new ATOM 0 HA LYS A 32 13.713 2.927 -13.429 1.00 0.66 H new ATOM 0 HB2 LYS A 32 14.815 0.376 -14.643 1.00 0.73 H new ATOM 0 HB3 LYS A 32 14.617 1.890 -15.503 1.00 0.73 H new ATOM 0 HG2 LYS A 32 16.228 1.682 -12.916 1.00 1.49 H new ATOM 0 HG3 LYS A 32 16.957 1.444 -14.492 1.00 1.49 H new ATOM 0 HD2 LYS A 32 16.529 3.750 -15.169 1.00 1.25 H new ATOM 0 HD3 LYS A 32 15.340 3.994 -13.905 1.00 1.25 H new ATOM 0 HE2 LYS A 32 16.964 4.051 -12.188 1.00 0.98 H new ATOM 0 HE3 LYS A 32 18.124 3.120 -13.114 1.00 0.98 H new ATOM 0 HZ1 LYS A 32 18.784 5.442 -12.965 1.00 2.22 H new ATOM 0 HZ2 LYS A 32 18.452 5.039 -14.581 1.00 2.22 H new ATOM 0 HZ3 LYS A 32 17.328 5.941 -13.683 1.00 2.22 H new ATOM 525 N GLN A 33 11.977 0.261 -14.298 1.00 0.53 N ATOM 526 CA GLN A 33 10.624 -0.103 -14.801 1.00 0.51 C ATOM 527 C GLN A 33 9.566 0.442 -13.813 1.00 0.36 C ATOM 528 O GLN A 33 8.765 1.274 -14.190 1.00 0.24 O ATOM 529 CB GLN A 33 10.561 -1.615 -14.894 1.00 0.71 C ATOM 530 CG GLN A 33 9.953 -1.960 -16.246 1.00 0.84 C ATOM 531 CD GLN A 33 8.461 -1.525 -16.365 1.00 0.71 C ATOM 532 OE1 GLN A 33 7.701 -1.644 -15.428 1.00 0.66 O ATOM 533 NE2 GLN A 33 7.945 -1.032 -17.450 1.00 1.01 N ATOM 0 H GLN A 33 12.602 -0.525 -14.118 1.00 0.53 H new ATOM 0 HA GLN A 33 10.427 0.327 -15.783 1.00 0.51 H new ATOM 0 HB2 GLN A 33 11.557 -2.048 -14.799 1.00 0.71 H new ATOM 0 HB3 GLN A 33 9.957 -2.025 -14.085 1.00 0.71 H new ATOM 0 HG2 GLN A 33 10.532 -1.477 -17.033 1.00 0.84 H new ATOM 0 HG3 GLN A 33 10.028 -3.035 -16.409 1.00 0.84 H new ATOM 0 HE21 GLN A 33 8.526 -0.904 -18.278 1.00 1.01 H new ATOM 0 HE22 GLN A 33 6.959 -0.773 -17.474 1.00 1.01 H new ATOM 542 N ALA A 34 9.610 -0.023 -12.591 1.00 0.41 N ATOM 543 CA ALA A 34 8.671 0.391 -11.506 1.00 0.33 C ATOM 544 C ALA A 34 8.411 1.927 -11.428 1.00 0.28 C ATOM 545 O ALA A 34 7.378 2.341 -10.943 1.00 0.28 O ATOM 546 CB ALA A 34 9.281 -0.162 -10.237 1.00 0.48 C ATOM 0 H ALA A 34 10.299 -0.711 -12.287 1.00 0.41 H new ATOM 0 HA ALA A 34 7.672 -0.004 -11.693 1.00 0.33 H new ATOM 0 HB1 ALA A 34 8.651 0.098 -9.387 1.00 0.48 H new ATOM 0 HB2 ALA A 34 9.358 -1.247 -10.313 1.00 0.48 H new ATOM 0 HB3 ALA A 34 10.275 0.263 -10.096 1.00 0.48 H new ATOM 552 N THR A 35 9.337 2.731 -11.900 1.00 0.28 N ATOM 553 CA THR A 35 9.182 4.243 -11.873 1.00 0.29 C ATOM 554 C THR A 35 8.974 4.903 -13.239 1.00 0.17 C ATOM 555 O THR A 35 8.019 5.629 -13.429 1.00 0.24 O ATOM 556 CB THR A 35 10.421 4.957 -11.299 1.00 0.34 C ATOM 557 OG1 THR A 35 11.491 4.498 -12.095 1.00 0.33 O ATOM 558 CG2 THR A 35 10.799 4.507 -9.943 1.00 0.36 C ATOM 0 H THR A 35 10.212 2.407 -12.312 1.00 0.28 H new ATOM 0 HA THR A 35 8.293 4.359 -11.253 1.00 0.29 H new ATOM 0 HB THR A 35 10.215 6.027 -11.280 1.00 0.34 H new ATOM 0 HG1 THR A 35 11.747 3.596 -11.811 1.00 0.33 H new ATOM 0 HG21 THR A 35 11.679 5.056 -9.610 1.00 0.36 H new ATOM 0 HG22 THR A 35 9.974 4.692 -9.255 1.00 0.36 H new ATOM 0 HG23 THR A 35 11.023 3.440 -9.963 1.00 0.36 H new ATOM 566 N VAL A 36 9.858 4.624 -14.156 1.00 0.08 N ATOM 567 CA VAL A 36 9.789 5.212 -15.533 1.00 0.23 C ATOM 568 C VAL A 36 8.824 4.429 -16.427 1.00 0.52 C ATOM 569 O VAL A 36 7.954 4.996 -17.066 1.00 0.72 O ATOM 570 CB VAL A 36 11.245 5.204 -16.136 1.00 0.26 C ATOM 571 CG1 VAL A 36 11.246 5.834 -17.545 1.00 0.51 C ATOM 572 CG2 VAL A 36 12.199 6.035 -15.252 1.00 0.10 C ATOM 0 H VAL A 36 10.648 3.996 -14.008 1.00 0.08 H new ATOM 0 HA VAL A 36 9.408 6.232 -15.479 1.00 0.23 H new ATOM 0 HB VAL A 36 11.577 4.167 -16.182 1.00 0.26 H new ATOM 0 HG11 VAL A 36 12.258 5.821 -17.948 1.00 0.51 H new ATOM 0 HG12 VAL A 36 10.587 5.263 -18.199 1.00 0.51 H new ATOM 0 HG13 VAL A 36 10.893 6.863 -17.484 1.00 0.51 H new ATOM 0 HG21 VAL A 36 13.200 6.019 -15.682 1.00 0.10 H new ATOM 0 HG22 VAL A 36 11.843 7.064 -15.199 1.00 0.10 H new ATOM 0 HG23 VAL A 36 12.229 5.610 -14.249 1.00 0.10 H new ATOM 582 N GLY A 37 9.041 3.142 -16.409 1.00 0.56 N ATOM 583 CA GLY A 37 8.242 2.138 -17.202 1.00 0.71 C ATOM 584 C GLY A 37 9.204 1.649 -18.278 1.00 0.64 C ATOM 585 O GLY A 37 10.142 0.942 -17.961 1.00 0.65 O ATOM 0 H GLY A 37 9.779 2.716 -15.848 1.00 0.56 H new ATOM 0 HA2 GLY A 37 7.900 1.317 -16.572 1.00 0.71 H new ATOM 0 HA3 GLY A 37 7.355 2.594 -17.641 1.00 0.71 H new ATOM 589 N ASP A 38 8.937 2.025 -19.494 1.00 0.54 N ATOM 590 CA ASP A 38 9.811 1.631 -20.621 1.00 0.40 C ATOM 591 C ASP A 38 11.085 2.476 -20.545 1.00 0.68 C ATOM 592 O ASP A 38 11.220 3.380 -19.738 1.00 1.15 O ATOM 593 CB ASP A 38 9.022 1.881 -21.932 1.00 0.33 C ATOM 594 CG ASP A 38 7.642 1.236 -21.810 1.00 0.40 C ATOM 595 OD1 ASP A 38 6.810 1.867 -21.177 1.00 2.11 O ATOM 596 OD2 ASP A 38 7.518 0.150 -22.357 1.00 1.38 O ATOM 0 H ASP A 38 8.135 2.599 -19.756 1.00 0.54 H new ATOM 0 HA ASP A 38 10.098 0.580 -20.584 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.923 2.951 -22.114 1.00 0.33 H new ATOM 0 HB3 ASP A 38 9.560 1.461 -22.782 1.00 0.33 H new ATOM 601 N ILE A 39 11.970 2.141 -21.426 1.00 0.39 N ATOM 602 CA ILE A 39 13.271 2.822 -21.516 1.00 0.68 C ATOM 603 C ILE A 39 13.196 3.697 -22.776 1.00 1.07 C ATOM 604 O ILE A 39 13.104 3.242 -23.901 1.00 1.16 O ATOM 605 CB ILE A 39 14.292 1.630 -21.506 1.00 0.43 C ATOM 606 CG1 ILE A 39 15.747 2.126 -21.343 1.00 0.57 C ATOM 607 CG2 ILE A 39 14.208 0.783 -22.795 1.00 0.31 C ATOM 608 CD1 ILE A 39 16.595 0.899 -20.924 1.00 0.45 C ATOM 0 H ILE A 39 11.837 1.396 -22.110 1.00 0.39 H new ATOM 0 HA ILE A 39 13.568 3.509 -20.724 1.00 0.68 H new ATOM 0 HB ILE A 39 14.017 1.012 -20.651 1.00 0.43 H new ATOM 0 HG12 ILE A 39 16.117 2.551 -22.276 1.00 0.57 H new ATOM 0 HG13 ILE A 39 15.805 2.912 -20.590 1.00 0.57 H new ATOM 0 HG21 ILE A 39 14.932 -0.030 -22.744 1.00 0.31 H new ATOM 0 HG22 ILE A 39 13.204 0.369 -22.894 1.00 0.31 H new ATOM 0 HG23 ILE A 39 14.428 1.411 -23.658 1.00 0.31 H new ATOM 0 HD11 ILE A 39 17.634 1.201 -20.797 1.00 0.45 H new ATOM 0 HD12 ILE A 39 16.216 0.498 -19.984 1.00 0.45 H new ATOM 0 HD13 ILE A 39 16.532 0.133 -21.696 1.00 0.45 H new ATOM 620 N ASN A 40 13.254 4.982 -22.550 1.00 1.69 N ATOM 621 CA ASN A 40 13.182 5.975 -23.670 1.00 2.28 C ATOM 622 C ASN A 40 14.601 6.507 -23.970 1.00 2.68 C ATOM 623 O ASN A 40 14.798 7.574 -24.519 1.00 3.39 O ATOM 624 CB ASN A 40 12.194 7.094 -23.199 1.00 2.38 C ATOM 625 CG ASN A 40 12.469 7.433 -21.736 1.00 2.36 C ATOM 626 OD1 ASN A 40 13.578 7.686 -21.329 1.00 2.64 O ATOM 627 ND2 ASN A 40 11.505 7.450 -20.878 1.00 2.22 N ATOM 0 H ASN A 40 13.350 5.396 -21.623 1.00 1.69 H new ATOM 0 HA ASN A 40 12.816 5.543 -24.601 1.00 2.28 H new ATOM 0 HB2 ASN A 40 12.313 7.983 -23.818 1.00 2.38 H new ATOM 0 HB3 ASN A 40 11.164 6.758 -23.318 1.00 2.38 H new ATOM 0 HD21 ASN A 40 11.696 7.671 -19.901 1.00 2.22 H new ATOM 0 HD22 ASN A 40 10.552 7.243 -21.177 1.00 2.22 H new ATOM 634 N THR A 41 15.541 5.697 -23.569 1.00 2.22 N ATOM 635 CA THR A 41 16.995 5.997 -23.759 1.00 2.50 C ATOM 636 C THR A 41 17.582 4.893 -24.643 1.00 2.55 C ATOM 637 O THR A 41 16.938 3.899 -24.926 1.00 2.35 O ATOM 638 CB THR A 41 17.758 6.019 -22.368 1.00 2.42 C ATOM 639 OG1 THR A 41 18.409 4.760 -22.205 1.00 2.11 O ATOM 640 CG2 THR A 41 16.794 5.993 -21.159 1.00 2.27 C ATOM 0 H THR A 41 15.358 4.809 -23.102 1.00 2.22 H new ATOM 0 HA THR A 41 17.111 6.978 -24.220 1.00 2.50 H new ATOM 0 HB THR A 41 18.389 6.908 -22.387 1.00 2.42 H new ATOM 0 HG1 THR A 41 18.791 4.704 -21.304 1.00 2.11 H new ATOM 0 HG21 THR A 41 17.370 6.010 -20.234 1.00 2.27 H new ATOM 0 HG22 THR A 41 16.141 6.865 -21.195 1.00 2.27 H new ATOM 0 HG23 THR A 41 16.190 5.086 -21.194 1.00 2.27 H new ATOM 648 N GLU A 42 18.800 5.108 -25.043 1.00 2.96 N ATOM 649 CA GLU A 42 19.502 4.119 -25.905 1.00 3.11 C ATOM 650 C GLU A 42 20.532 3.389 -25.026 1.00 2.63 C ATOM 651 O GLU A 42 20.831 3.807 -23.919 1.00 2.45 O ATOM 652 CB GLU A 42 20.177 4.901 -27.054 1.00 3.95 C ATOM 653 CG GLU A 42 21.398 5.724 -26.504 1.00 4.24 C ATOM 654 CD GLU A 42 22.016 6.695 -27.523 1.00 5.09 C ATOM 655 OE1 GLU A 42 21.421 6.893 -28.568 1.00 6.99 O ATOM 656 OE2 GLU A 42 23.071 7.189 -27.161 1.00 3.93 O ATOM 0 H GLU A 42 19.347 5.936 -24.807 1.00 2.96 H new ATOM 0 HA GLU A 42 18.828 3.380 -26.337 1.00 3.11 H new ATOM 0 HB2 GLU A 42 20.513 4.209 -27.826 1.00 3.95 H new ATOM 0 HB3 GLU A 42 19.456 5.573 -27.520 1.00 3.95 H new ATOM 0 HG2 GLU A 42 21.076 6.290 -25.630 1.00 4.24 H new ATOM 0 HG3 GLU A 42 22.168 5.029 -26.168 1.00 4.24 H new ATOM 663 N ARG A 43 21.005 2.299 -25.549 1.00 2.62 N ATOM 664 CA ARG A 43 22.019 1.457 -24.862 1.00 2.17 C ATOM 665 C ARG A 43 23.460 2.081 -24.762 1.00 2.22 C ATOM 666 O ARG A 43 24.035 2.437 -25.775 1.00 2.32 O ATOM 667 CB ARG A 43 21.980 0.167 -25.658 1.00 1.84 C ATOM 668 CG ARG A 43 22.620 -0.992 -24.924 1.00 1.60 C ATOM 669 CD ARG A 43 22.653 -2.137 -25.915 1.00 1.39 C ATOM 670 NE ARG A 43 22.870 -3.373 -25.109 1.00 1.74 N ATOM 671 CZ ARG A 43 23.908 -4.114 -25.189 1.00 0.33 C ATOM 672 NH1 ARG A 43 24.521 -4.273 -26.292 1.00 2.40 N ATOM 673 NH2 ARG A 43 24.260 -4.662 -24.108 1.00 2.12 N ATOM 0 H ARG A 43 20.719 1.942 -26.461 1.00 2.62 H new ATOM 0 HA ARG A 43 21.781 1.329 -23.806 1.00 2.17 H new ATOM 0 HB2 ARG A 43 20.944 -0.082 -25.888 1.00 1.84 H new ATOM 0 HB3 ARG A 43 22.491 0.316 -26.609 1.00 1.84 H new ATOM 0 HG2 ARG A 43 23.625 -0.736 -24.588 1.00 1.60 H new ATOM 0 HG3 ARG A 43 22.046 -1.259 -24.037 1.00 1.60 H new ATOM 0 HD2 ARG A 43 21.720 -2.195 -26.475 1.00 1.39 H new ATOM 0 HD3 ARG A 43 23.453 -2.000 -26.643 1.00 1.39 H new ATOM 0 HE ARG A 43 22.141 -3.645 -24.450 1.00 1.74 H new ATOM 0 HH11 ARG A 43 24.186 -3.805 -27.134 1.00 2.40 H new ATOM 0 HH12 ARG A 43 25.348 -4.869 -26.335 1.00 2.40 H new ATOM 0 HH21 ARG A 43 23.725 -4.498 -23.255 1.00 2.12 H new ATOM 0 HH22 ARG A 43 25.079 -5.269 -24.087 1.00 2.12 H new ATOM 687 N PRO A 44 24.000 2.207 -23.553 1.00 2.22 N ATOM 688 CA PRO A 44 25.379 2.786 -23.308 1.00 2.26 C ATOM 689 C PRO A 44 26.641 2.232 -24.074 1.00 2.28 C ATOM 690 O PRO A 44 26.633 1.201 -24.725 1.00 2.51 O ATOM 691 CB PRO A 44 25.550 2.692 -21.741 1.00 2.18 C ATOM 692 CG PRO A 44 24.471 1.725 -21.267 1.00 2.61 C ATOM 693 CD PRO A 44 23.330 1.814 -22.280 1.00 2.31 C ATOM 0 HA PRO A 44 25.381 3.786 -23.743 1.00 2.26 H new ATOM 0 HB2 PRO A 44 26.544 2.331 -21.476 1.00 2.18 H new ATOM 0 HB3 PRO A 44 25.432 3.670 -21.275 1.00 2.18 H new ATOM 0 HG2 PRO A 44 24.860 0.708 -21.210 1.00 2.61 H new ATOM 0 HG3 PRO A 44 24.124 1.991 -20.268 1.00 2.61 H new ATOM 0 HD2 PRO A 44 22.812 0.860 -22.381 1.00 2.31 H new ATOM 0 HD3 PRO A 44 22.586 2.551 -21.978 1.00 2.31 H new ATOM 701 N GLY A 45 27.719 2.983 -23.932 1.00 2.12 N ATOM 702 CA GLY A 45 29.049 2.643 -24.589 1.00 2.18 C ATOM 703 C GLY A 45 30.354 2.485 -23.752 1.00 2.19 C ATOM 704 O GLY A 45 30.918 1.407 -23.751 1.00 2.16 O ATOM 0 H GLY A 45 27.739 3.838 -23.376 1.00 2.12 H new ATOM 0 HA2 GLY A 45 28.905 1.708 -25.131 1.00 2.18 H new ATOM 0 HA3 GLY A 45 29.242 3.416 -25.333 1.00 2.18 H new ATOM 708 N MET A 46 30.801 3.522 -23.081 1.00 2.31 N ATOM 709 CA MET A 46 32.066 3.457 -22.251 1.00 2.36 C ATOM 710 C MET A 46 32.291 2.201 -21.364 1.00 2.25 C ATOM 711 O MET A 46 33.126 1.378 -21.673 1.00 2.47 O ATOM 712 CB MET A 46 32.118 4.769 -21.381 1.00 2.54 C ATOM 713 CG MET A 46 31.026 4.857 -20.286 1.00 3.45 C ATOM 714 SD MET A 46 29.350 4.349 -20.751 1.00 3.91 S ATOM 715 CE MET A 46 28.667 5.961 -21.217 1.00 3.84 C ATOM 0 H MET A 46 30.339 4.431 -23.069 1.00 2.31 H new ATOM 0 HA MET A 46 32.884 3.373 -22.966 1.00 2.36 H new ATOM 0 HB2 MET A 46 33.097 4.837 -20.906 1.00 2.54 H new ATOM 0 HB3 MET A 46 32.023 5.631 -22.041 1.00 2.54 H new ATOM 0 HG2 MET A 46 31.343 4.245 -19.442 1.00 3.45 H new ATOM 0 HG3 MET A 46 30.982 5.888 -19.934 1.00 3.45 H new ATOM 0 HE1 MET A 46 27.631 5.839 -21.534 1.00 3.84 H new ATOM 0 HE2 MET A 46 28.708 6.635 -20.361 1.00 3.84 H new ATOM 0 HE3 MET A 46 29.250 6.380 -22.037 1.00 3.84 H new ATOM 725 N LEU A 47 31.566 2.039 -20.293 1.00 1.90 N ATOM 726 CA LEU A 47 31.770 0.829 -19.419 1.00 1.78 C ATOM 727 C LEU A 47 30.700 -0.170 -19.812 1.00 1.90 C ATOM 728 O LEU A 47 29.725 0.196 -20.442 1.00 3.99 O ATOM 729 CB LEU A 47 31.602 1.204 -17.927 1.00 1.29 C ATOM 730 CG LEU A 47 32.905 1.712 -17.287 1.00 1.43 C ATOM 731 CD1 LEU A 47 32.551 2.248 -15.900 1.00 2.70 C ATOM 732 CD2 LEU A 47 33.905 0.561 -17.075 1.00 1.75 C ATOM 0 H LEU A 47 30.841 2.684 -19.978 1.00 1.90 H new ATOM 0 HA LEU A 47 32.772 0.421 -19.551 1.00 1.78 H new ATOM 0 HB2 LEU A 47 30.834 1.972 -17.835 1.00 1.29 H new ATOM 0 HB3 LEU A 47 31.248 0.332 -17.376 1.00 1.29 H new ATOM 0 HG LEU A 47 33.349 2.465 -17.938 1.00 1.43 H new ATOM 0 HD11 LEU A 47 33.452 2.619 -15.412 1.00 2.70 H new ATOM 0 HD12 LEU A 47 31.830 3.060 -15.997 1.00 2.70 H new ATOM 0 HD13 LEU A 47 32.117 1.448 -15.300 1.00 2.70 H new ATOM 0 HD21 LEU A 47 34.817 0.950 -16.621 1.00 1.75 H new ATOM 0 HD22 LEU A 47 33.464 -0.188 -16.418 1.00 1.75 H new ATOM 0 HD23 LEU A 47 34.144 0.105 -18.036 1.00 1.75 H new ATOM 744 N ASP A 48 30.874 -1.407 -19.457 1.00 0.58 N ATOM 745 CA ASP A 48 29.834 -2.400 -19.834 1.00 0.45 C ATOM 746 C ASP A 48 29.044 -2.957 -18.642 1.00 0.18 C ATOM 747 O ASP A 48 27.900 -2.576 -18.427 1.00 0.60 O ATOM 748 CB ASP A 48 30.587 -3.480 -20.608 1.00 0.66 C ATOM 749 CG ASP A 48 29.548 -4.119 -21.495 1.00 2.48 C ATOM 750 OD1 ASP A 48 28.851 -4.963 -20.959 1.00 4.57 O ATOM 751 OD2 ASP A 48 29.567 -3.652 -22.623 1.00 1.92 O ATOM 0 H ASP A 48 31.671 -1.770 -18.934 1.00 0.58 H new ATOM 0 HA ASP A 48 29.053 -1.937 -20.437 1.00 0.45 H new ATOM 0 HB2 ASP A 48 31.398 -3.051 -21.196 1.00 0.66 H new ATOM 0 HB3 ASP A 48 31.034 -4.210 -19.933 1.00 0.66 H new ATOM 756 N PHE A 49 29.677 -3.838 -17.907 1.00 0.56 N ATOM 757 CA PHE A 49 29.028 -4.458 -16.708 1.00 0.38 C ATOM 758 C PHE A 49 28.345 -3.376 -15.867 1.00 0.24 C ATOM 759 O PHE A 49 27.283 -3.559 -15.322 1.00 0.21 O ATOM 760 CB PHE A 49 30.110 -5.210 -15.861 1.00 0.43 C ATOM 761 CG PHE A 49 30.848 -4.227 -14.940 1.00 0.33 C ATOM 762 CD1 PHE A 49 31.786 -3.356 -15.459 1.00 1.08 C ATOM 763 CD2 PHE A 49 30.564 -4.192 -13.584 1.00 0.23 C ATOM 764 CE1 PHE A 49 32.439 -2.455 -14.644 1.00 1.38 C ATOM 765 CE2 PHE A 49 31.214 -3.296 -12.767 1.00 0.23 C ATOM 766 CZ PHE A 49 32.148 -2.430 -13.292 1.00 0.92 C ATOM 0 H PHE A 49 30.628 -4.158 -18.089 1.00 0.56 H new ATOM 0 HA PHE A 49 28.271 -5.173 -17.031 1.00 0.38 H new ATOM 0 HB2 PHE A 49 29.637 -5.991 -15.265 1.00 0.43 H new ATOM 0 HB3 PHE A 49 30.822 -5.702 -16.523 1.00 0.43 H new ATOM 0 HD1 PHE A 49 32.011 -3.381 -16.515 1.00 1.08 H new ATOM 0 HD2 PHE A 49 29.832 -4.869 -13.168 1.00 0.23 H new ATOM 0 HE1 PHE A 49 33.170 -1.776 -15.057 1.00 1.38 H new ATOM 0 HE2 PHE A 49 30.991 -3.271 -11.710 1.00 0.23 H new ATOM 0 HZ PHE A 49 32.655 -1.729 -12.645 1.00 0.92 H new ATOM 776 N LYS A 50 28.991 -2.247 -15.808 1.00 0.26 N ATOM 777 CA LYS A 50 28.439 -1.119 -15.009 1.00 0.25 C ATOM 778 C LYS A 50 27.611 -0.062 -15.739 1.00 0.15 C ATOM 779 O LYS A 50 27.018 0.768 -15.072 1.00 0.36 O ATOM 780 CB LYS A 50 29.653 -0.502 -14.278 1.00 0.40 C ATOM 781 CG LYS A 50 29.193 0.393 -13.115 1.00 0.58 C ATOM 782 CD LYS A 50 29.449 1.874 -13.461 1.00 1.64 C ATOM 783 CE LYS A 50 28.585 2.774 -12.577 1.00 3.32 C ATOM 784 NZ LYS A 50 27.156 2.607 -13.005 1.00 5.15 N ATOM 0 H LYS A 50 29.876 -2.056 -16.278 1.00 0.26 H new ATOM 0 HA LYS A 50 27.681 -1.529 -14.341 1.00 0.25 H new ATOM 0 HB2 LYS A 50 30.297 -1.296 -13.899 1.00 0.40 H new ATOM 0 HB3 LYS A 50 30.247 0.083 -14.980 1.00 0.40 H new ATOM 0 HG2 LYS A 50 28.133 0.234 -12.919 1.00 0.58 H new ATOM 0 HG3 LYS A 50 29.729 0.125 -12.204 1.00 0.58 H new ATOM 0 HD2 LYS A 50 30.503 2.113 -13.317 1.00 1.64 H new ATOM 0 HD3 LYS A 50 29.221 2.055 -14.511 1.00 1.64 H new ATOM 0 HE2 LYS A 50 28.703 2.504 -11.527 1.00 3.32 H new ATOM 0 HE3 LYS A 50 28.894 3.815 -12.675 1.00 3.32 H new ATOM 0 HZ1 LYS A 50 26.712 3.542 -13.106 1.00 5.15 H new ATOM 0 HZ2 LYS A 50 27.123 2.108 -13.917 1.00 5.15 H new ATOM 0 HZ3 LYS A 50 26.641 2.055 -12.289 1.00 5.15 H new ATOM 798 N GLY A 51 27.603 -0.077 -17.047 1.00 0.38 N ATOM 799 CA GLY A 51 26.780 0.934 -17.836 1.00 0.63 C ATOM 800 C GLY A 51 25.604 0.233 -18.561 1.00 0.67 C ATOM 801 O GLY A 51 24.447 0.531 -18.296 1.00 0.69 O ATOM 0 H GLY A 51 28.126 -0.741 -17.618 1.00 0.38 H new ATOM 0 HA2 GLY A 51 26.395 1.701 -17.164 1.00 0.63 H new ATOM 0 HA3 GLY A 51 27.415 1.438 -18.565 1.00 0.63 H new ATOM 805 N LYS A 52 25.983 -0.663 -19.452 1.00 0.69 N ATOM 806 CA LYS A 52 24.986 -1.472 -20.263 1.00 0.64 C ATOM 807 C LYS A 52 24.327 -2.663 -19.544 1.00 0.46 C ATOM 808 O LYS A 52 23.151 -2.839 -19.756 1.00 0.46 O ATOM 809 CB LYS A 52 25.624 -2.083 -21.568 1.00 0.82 C ATOM 810 CG LYS A 52 26.038 -1.051 -22.653 1.00 1.12 C ATOM 811 CD LYS A 52 27.453 -0.514 -22.365 1.00 2.43 C ATOM 812 CE LYS A 52 28.394 -1.048 -23.450 1.00 1.72 C ATOM 813 NZ LYS A 52 29.797 -0.890 -22.984 1.00 1.45 N ATOM 0 H LYS A 52 26.959 -0.876 -19.659 1.00 0.69 H new ATOM 0 HA LYS A 52 24.227 -0.718 -20.470 1.00 0.64 H new ATOM 0 HB2 LYS A 52 26.504 -2.661 -21.286 1.00 0.82 H new ATOM 0 HB3 LYS A 52 24.912 -2.781 -22.008 1.00 0.82 H new ATOM 0 HG2 LYS A 52 26.012 -1.518 -23.638 1.00 1.12 H new ATOM 0 HG3 LYS A 52 25.325 -0.227 -22.672 1.00 1.12 H new ATOM 0 HD2 LYS A 52 27.454 0.576 -22.363 1.00 2.43 H new ATOM 0 HD3 LYS A 52 27.788 -0.834 -21.379 1.00 2.43 H new ATOM 0 HE2 LYS A 52 28.179 -2.097 -23.654 1.00 1.72 H new ATOM 0 HE3 LYS A 52 28.242 -0.505 -24.383 1.00 1.72 H new ATOM 0 HZ1 LYS A 52 30.321 -0.293 -23.656 1.00 1.45 H new ATOM 0 HZ2 LYS A 52 29.803 -0.442 -22.046 1.00 1.45 H new ATOM 0 HZ3 LYS A 52 30.250 -1.824 -22.924 1.00 1.45 H new ATOM 827 N ALA A 53 25.029 -3.405 -18.719 1.00 0.50 N ATOM 828 CA ALA A 53 24.392 -4.576 -18.026 1.00 0.42 C ATOM 829 C ALA A 53 23.088 -4.090 -17.418 1.00 0.44 C ATOM 830 O ALA A 53 22.015 -4.581 -17.664 1.00 0.45 O ATOM 831 CB ALA A 53 25.278 -5.089 -16.880 1.00 0.39 C ATOM 0 H ALA A 53 26.012 -3.253 -18.495 1.00 0.50 H new ATOM 0 HA ALA A 53 24.243 -5.381 -18.746 1.00 0.42 H new ATOM 0 HB1 ALA A 53 24.792 -5.936 -16.396 1.00 0.39 H new ATOM 0 HB2 ALA A 53 26.243 -5.403 -17.278 1.00 0.39 H new ATOM 0 HB3 ALA A 53 25.428 -4.292 -16.151 1.00 0.39 H new ATOM 837 N LYS A 54 23.251 -3.094 -16.607 1.00 0.45 N ATOM 838 CA LYS A 54 22.099 -2.464 -15.916 1.00 0.46 C ATOM 839 C LYS A 54 21.102 -1.820 -16.915 1.00 0.49 C ATOM 840 O LYS A 54 19.941 -1.675 -16.583 1.00 0.64 O ATOM 841 CB LYS A 54 22.704 -1.458 -14.971 1.00 0.43 C ATOM 842 CG LYS A 54 23.547 -0.486 -15.816 1.00 0.35 C ATOM 843 CD LYS A 54 24.271 0.467 -14.906 1.00 0.37 C ATOM 844 CE LYS A 54 23.354 1.488 -14.344 1.00 0.62 C ATOM 845 NZ LYS A 54 22.909 2.257 -15.533 1.00 1.13 N ATOM 0 H LYS A 54 24.156 -2.678 -16.387 1.00 0.45 H new ATOM 0 HA LYS A 54 21.501 -3.199 -15.377 1.00 0.46 H new ATOM 0 HB2 LYS A 54 21.924 -0.921 -14.431 1.00 0.43 H new ATOM 0 HB3 LYS A 54 23.324 -1.956 -14.225 1.00 0.43 H new ATOM 0 HG2 LYS A 54 24.262 -1.041 -16.423 1.00 0.35 H new ATOM 0 HG3 LYS A 54 22.906 0.066 -16.503 1.00 0.35 H new ATOM 0 HD2 LYS A 54 24.739 -0.089 -14.094 1.00 0.37 H new ATOM 0 HD3 LYS A 54 25.072 0.960 -15.457 1.00 0.37 H new ATOM 0 HE2 LYS A 54 22.512 1.028 -13.827 1.00 0.62 H new ATOM 0 HE3 LYS A 54 23.861 2.127 -13.621 1.00 0.62 H new ATOM 0 HZ1 LYS A 54 23.198 3.251 -15.432 1.00 1.13 H new ATOM 0 HZ2 LYS A 54 23.344 1.856 -16.388 1.00 1.13 H new ATOM 0 HZ3 LYS A 54 21.873 2.204 -15.613 1.00 1.13 H new ATOM 859 N TRP A 55 21.527 -1.459 -18.109 1.00 0.52 N ATOM 860 CA TRP A 55 20.591 -0.830 -19.113 1.00 0.50 C ATOM 861 C TRP A 55 19.859 -2.067 -19.574 1.00 0.29 C ATOM 862 O TRP A 55 18.684 -2.220 -19.325 1.00 0.27 O ATOM 863 CB TRP A 55 21.387 -0.229 -20.262 1.00 0.60 C ATOM 864 CG TRP A 55 20.440 0.597 -21.131 1.00 0.62 C ATOM 865 CD1 TRP A 55 20.103 1.885 -20.850 1.00 0.75 C ATOM 866 CD2 TRP A 55 19.805 0.186 -22.261 1.00 0.59 C ATOM 867 NE1 TRP A 55 19.281 2.186 -21.832 1.00 0.79 N ATOM 868 CE2 TRP A 55 19.039 1.246 -22.725 1.00 0.72 C ATOM 869 CE3 TRP A 55 19.785 -1.013 -22.985 1.00 0.53 C ATOM 870 CZ2 TRP A 55 18.270 1.128 -23.872 1.00 0.82 C ATOM 871 CZ3 TRP A 55 19.014 -1.136 -24.137 1.00 0.63 C ATOM 872 CH2 TRP A 55 18.256 -0.064 -24.583 1.00 0.79 C ATOM 0 H TRP A 55 22.487 -1.573 -18.435 1.00 0.52 H new ATOM 0 HA TRP A 55 19.961 -0.025 -18.734 1.00 0.50 H new ATOM 0 HB2 TRP A 55 22.192 0.398 -19.878 1.00 0.60 H new ATOM 0 HB3 TRP A 55 21.852 -1.018 -20.853 1.00 0.60 H new ATOM 0 HD1 TRP A 55 20.429 2.505 -20.027 1.00 0.75 H new ATOM 0 HE1 TRP A 55 18.849 3.108 -21.900 1.00 0.79 H new ATOM 0 HE3 TRP A 55 20.375 -1.852 -22.645 1.00 0.53 H new ATOM 0 HZ2 TRP A 55 17.680 1.966 -24.213 1.00 0.82 H new ATOM 0 HZ3 TRP A 55 19.006 -2.067 -24.684 1.00 0.63 H new ATOM 0 HH2 TRP A 55 17.658 -0.156 -25.478 1.00 0.79 H new ATOM 883 N ASP A 56 20.562 -2.919 -20.263 1.00 0.70 N ATOM 884 CA ASP A 56 20.038 -4.212 -20.777 1.00 0.58 C ATOM 885 C ASP A 56 19.028 -4.777 -19.768 1.00 0.57 C ATOM 886 O ASP A 56 17.862 -4.940 -20.062 1.00 0.61 O ATOM 887 CB ASP A 56 21.375 -4.958 -20.998 1.00 0.62 C ATOM 888 CG ASP A 56 21.873 -4.461 -22.334 1.00 0.67 C ATOM 889 OD1 ASP A 56 22.319 -3.338 -22.415 1.00 2.13 O ATOM 890 OD2 ASP A 56 21.810 -5.197 -23.292 1.00 2.04 O ATOM 0 H ASP A 56 21.540 -2.758 -20.504 1.00 0.70 H new ATOM 0 HA ASP A 56 19.444 -4.233 -21.691 1.00 0.58 H new ATOM 0 HB2 ASP A 56 22.087 -4.738 -20.203 1.00 0.62 H new ATOM 0 HB3 ASP A 56 21.229 -6.038 -21.006 1.00 0.62 H new ATOM 895 N ALA A 57 19.523 -5.040 -18.591 1.00 0.54 N ATOM 896 CA ALA A 57 18.721 -5.578 -17.459 1.00 0.58 C ATOM 897 C ALA A 57 17.366 -4.822 -17.336 1.00 0.46 C ATOM 898 O ALA A 57 16.349 -5.414 -17.059 1.00 0.71 O ATOM 899 CB ALA A 57 19.610 -5.432 -16.208 1.00 0.61 C ATOM 0 H ALA A 57 20.505 -4.895 -18.359 1.00 0.54 H new ATOM 0 HA ALA A 57 18.449 -6.624 -17.603 1.00 0.58 H new ATOM 0 HB1 ALA A 57 19.077 -5.811 -15.336 1.00 0.61 H new ATOM 0 HB2 ALA A 57 20.529 -6.001 -16.347 1.00 0.61 H new ATOM 0 HB3 ALA A 57 19.853 -4.381 -16.055 1.00 0.61 H new ATOM 905 N TRP A 58 17.357 -3.529 -17.542 1.00 0.18 N ATOM 906 CA TRP A 58 16.071 -2.751 -17.446 1.00 0.19 C ATOM 907 C TRP A 58 15.344 -2.779 -18.822 1.00 0.34 C ATOM 908 O TRP A 58 14.137 -2.888 -18.912 1.00 0.34 O ATOM 909 CB TRP A 58 16.345 -1.269 -17.056 1.00 0.29 C ATOM 910 CG TRP A 58 15.008 -0.500 -17.194 1.00 0.15 C ATOM 911 CD1 TRP A 58 13.749 -1.027 -17.014 1.00 0.28 C ATOM 912 CD2 TRP A 58 14.897 0.795 -17.539 1.00 0.35 C ATOM 913 NE1 TRP A 58 12.959 -0.002 -17.278 1.00 0.29 N ATOM 914 CE2 TRP A 58 13.556 1.123 -17.595 1.00 0.46 C ATOM 915 CE3 TRP A 58 15.847 1.775 -17.806 1.00 0.62 C ATOM 916 CZ2 TRP A 58 13.145 2.399 -17.911 1.00 0.81 C ATOM 917 CZ3 TRP A 58 15.443 3.078 -18.129 1.00 0.96 C ATOM 918 CH2 TRP A 58 14.089 3.391 -18.183 1.00 1.05 C ATOM 0 H TRP A 58 18.181 -2.974 -17.773 1.00 0.18 H new ATOM 0 HA TRP A 58 15.450 -3.211 -16.677 1.00 0.19 H new ATOM 0 HB2 TRP A 58 16.722 -1.204 -16.035 1.00 0.29 H new ATOM 0 HB3 TRP A 58 17.106 -0.836 -17.705 1.00 0.29 H new ATOM 0 HD1 TRP A 58 13.475 -2.032 -16.727 1.00 0.28 H new ATOM 0 HE1 TRP A 58 11.943 -0.080 -17.238 1.00 0.29 H new ATOM 0 HE3 TRP A 58 16.898 1.532 -17.764 1.00 0.62 H new ATOM 0 HZ2 TRP A 58 12.091 2.632 -17.948 1.00 0.81 H new ATOM 0 HZ3 TRP A 58 16.182 3.838 -18.336 1.00 0.96 H new ATOM 0 HH2 TRP A 58 13.771 4.392 -18.433 1.00 1.05 H new ATOM 929 N ASN A 59 16.069 -2.711 -19.891 1.00 0.46 N ATOM 930 CA ASN A 59 15.441 -2.724 -21.253 1.00 0.70 C ATOM 931 C ASN A 59 14.580 -3.996 -21.327 1.00 0.70 C ATOM 932 O ASN A 59 13.462 -4.019 -21.801 1.00 0.80 O ATOM 933 CB ASN A 59 16.527 -2.785 -22.325 1.00 0.85 C ATOM 934 CG ASN A 59 15.808 -2.807 -23.659 1.00 1.27 C ATOM 935 OD1 ASN A 59 15.287 -1.821 -24.133 1.00 1.49 O ATOM 936 ND2 ASN A 59 15.720 -3.914 -24.314 1.00 1.86 N ATOM 0 H ASN A 59 17.087 -2.646 -19.891 1.00 0.46 H new ATOM 0 HA ASN A 59 14.845 -1.826 -21.418 1.00 0.70 H new ATOM 0 HB2 ASN A 59 17.191 -1.923 -22.255 1.00 0.85 H new ATOM 0 HB3 ASN A 59 17.145 -3.674 -22.202 1.00 0.85 H new ATOM 0 HD21 ASN A 59 15.223 -3.942 -25.204 1.00 1.86 H new ATOM 0 HD22 ASN A 59 16.148 -4.762 -23.942 1.00 1.86 H new ATOM 943 N GLU A 60 15.182 -5.026 -20.822 1.00 0.65 N ATOM 944 CA GLU A 60 14.581 -6.380 -20.764 1.00 0.78 C ATOM 945 C GLU A 60 13.232 -6.444 -20.034 1.00 0.55 C ATOM 946 O GLU A 60 12.454 -7.356 -20.230 1.00 0.78 O ATOM 947 CB GLU A 60 15.684 -7.238 -20.117 1.00 0.97 C ATOM 948 CG GLU A 60 15.234 -8.708 -20.024 1.00 1.03 C ATOM 949 CD GLU A 60 16.339 -9.578 -19.432 1.00 1.86 C ATOM 950 OE1 GLU A 60 16.505 -9.494 -18.229 1.00 2.24 O ATOM 951 OE2 GLU A 60 16.949 -10.269 -20.228 1.00 2.89 O ATOM 0 H GLU A 60 16.120 -4.980 -20.425 1.00 0.65 H new ATOM 0 HA GLU A 60 14.301 -6.743 -21.753 1.00 0.78 H new ATOM 0 HB2 GLU A 60 16.600 -7.168 -20.704 1.00 0.97 H new ATOM 0 HB3 GLU A 60 15.913 -6.857 -19.122 1.00 0.97 H new ATOM 0 HG2 GLU A 60 14.338 -8.780 -19.407 1.00 1.03 H new ATOM 0 HG3 GLU A 60 14.968 -9.075 -21.015 1.00 1.03 H new ATOM 958 N LEU A 61 12.979 -5.466 -19.217 1.00 0.13 N ATOM 959 CA LEU A 61 11.706 -5.393 -18.431 1.00 0.22 C ATOM 960 C LEU A 61 10.840 -4.248 -18.955 1.00 0.47 C ATOM 961 O LEU A 61 9.683 -4.114 -18.598 1.00 0.94 O ATOM 962 CB LEU A 61 12.008 -5.106 -16.944 1.00 0.37 C ATOM 963 CG LEU A 61 13.112 -6.000 -16.375 1.00 0.45 C ATOM 964 CD1 LEU A 61 13.201 -5.692 -14.890 1.00 0.65 C ATOM 965 CD2 LEU A 61 12.727 -7.459 -16.541 1.00 0.51 C ATOM 0 H LEU A 61 13.617 -4.687 -19.052 1.00 0.13 H new ATOM 0 HA LEU A 61 11.190 -6.348 -18.534 1.00 0.22 H new ATOM 0 HB2 LEU A 61 12.300 -4.062 -16.833 1.00 0.37 H new ATOM 0 HB3 LEU A 61 11.098 -5.246 -16.361 1.00 0.37 H new ATOM 0 HG LEU A 61 14.057 -5.820 -16.887 1.00 0.45 H new ATOM 0 HD11 LEU A 61 13.978 -6.307 -14.437 1.00 0.65 H new ATOM 0 HD12 LEU A 61 13.445 -4.639 -14.751 1.00 0.65 H new ATOM 0 HD13 LEU A 61 12.244 -5.909 -14.415 1.00 0.65 H new ATOM 0 HD21 LEU A 61 13.516 -8.092 -16.135 1.00 0.51 H new ATOM 0 HD22 LEU A 61 11.796 -7.652 -16.008 1.00 0.51 H new ATOM 0 HD23 LEU A 61 12.592 -7.682 -17.600 1.00 0.51 H new ATOM 977 N LYS A 62 11.443 -3.462 -19.791 1.00 0.66 N ATOM 978 CA LYS A 62 10.816 -2.280 -20.417 1.00 0.87 C ATOM 979 C LYS A 62 9.320 -2.104 -20.439 1.00 1.12 C ATOM 980 O LYS A 62 8.840 -1.060 -20.070 1.00 1.85 O ATOM 981 CB LYS A 62 11.397 -2.216 -21.847 1.00 0.90 C ATOM 982 CG LYS A 62 10.765 -1.087 -22.702 1.00 1.06 C ATOM 983 CD LYS A 62 10.838 -1.503 -24.168 1.00 0.70 C ATOM 984 CE LYS A 62 9.801 -2.599 -24.404 1.00 2.05 C ATOM 985 NZ LYS A 62 10.087 -3.187 -25.748 1.00 3.84 N ATOM 0 H LYS A 62 12.410 -3.605 -20.082 1.00 0.66 H new ATOM 0 HA LYS A 62 11.064 -1.453 -19.752 1.00 0.87 H new ATOM 0 HB2 LYS A 62 12.475 -2.062 -21.790 1.00 0.90 H new ATOM 0 HB3 LYS A 62 11.237 -3.174 -22.342 1.00 0.90 H new ATOM 0 HG2 LYS A 62 9.730 -0.920 -22.405 1.00 1.06 H new ATOM 0 HG3 LYS A 62 11.297 -0.149 -22.546 1.00 1.06 H new ATOM 0 HD2 LYS A 62 10.643 -0.649 -24.816 1.00 0.70 H new ATOM 0 HD3 LYS A 62 11.837 -1.866 -24.411 1.00 0.70 H new ATOM 0 HE2 LYS A 62 9.862 -3.362 -23.628 1.00 2.05 H new ATOM 0 HE3 LYS A 62 8.792 -2.189 -24.369 1.00 2.05 H new ATOM 0 HZ1 LYS A 62 9.400 -3.942 -25.950 1.00 3.84 H new ATOM 0 HZ2 LYS A 62 10.011 -2.446 -26.474 1.00 3.84 H new ATOM 0 HZ3 LYS A 62 11.049 -3.583 -25.756 1.00 3.84 H new ATOM 999 N GLY A 63 8.604 -3.107 -20.819 1.00 0.65 N ATOM 1000 CA GLY A 63 7.107 -2.961 -20.887 1.00 0.86 C ATOM 1001 C GLY A 63 6.306 -3.631 -19.793 1.00 0.86 C ATOM 1002 O GLY A 63 5.293 -4.249 -20.049 1.00 0.82 O ATOM 0 H GLY A 63 8.969 -4.021 -21.087 1.00 0.65 H new ATOM 0 HA2 GLY A 63 6.869 -1.897 -20.880 1.00 0.86 H new ATOM 0 HA3 GLY A 63 6.770 -3.356 -21.845 1.00 0.86 H new ATOM 1006 N THR A 64 6.790 -3.493 -18.598 1.00 0.96 N ATOM 1007 CA THR A 64 6.061 -4.106 -17.448 1.00 1.07 C ATOM 1008 C THR A 64 5.222 -3.016 -16.808 1.00 1.01 C ATOM 1009 O THR A 64 5.352 -1.821 -17.032 1.00 0.89 O ATOM 1010 CB THR A 64 6.998 -4.627 -16.323 1.00 1.42 C ATOM 1011 OG1 THR A 64 7.932 -5.436 -16.990 1.00 1.34 O ATOM 1012 CG2 THR A 64 6.360 -5.693 -15.425 1.00 1.63 C ATOM 0 H THR A 64 7.646 -2.991 -18.362 1.00 0.96 H new ATOM 0 HA THR A 64 5.491 -4.946 -17.846 1.00 1.07 H new ATOM 0 HB THR A 64 7.327 -3.758 -15.754 1.00 1.42 H new ATOM 0 HG1 THR A 64 8.574 -4.870 -17.467 1.00 1.34 H new ATOM 0 HG21 THR A 64 7.077 -6.005 -14.665 1.00 1.63 H new ATOM 0 HG22 THR A 64 5.475 -5.279 -14.941 1.00 1.63 H new ATOM 0 HG23 THR A 64 6.073 -6.554 -16.029 1.00 1.63 H new ATOM 1020 N SER A 65 4.360 -3.534 -15.989 1.00 1.14 N ATOM 1021 CA SER A 65 3.422 -2.705 -15.204 1.00 1.12 C ATOM 1022 C SER A 65 4.338 -2.329 -14.039 1.00 0.81 C ATOM 1023 O SER A 65 4.894 -3.151 -13.327 1.00 0.71 O ATOM 1024 CB SER A 65 2.263 -3.554 -14.721 1.00 1.05 C ATOM 1025 OG SER A 65 2.926 -4.702 -14.205 1.00 0.75 O ATOM 0 H SER A 65 4.266 -4.537 -15.827 1.00 1.14 H new ATOM 0 HA SER A 65 2.971 -1.864 -15.732 1.00 1.12 H new ATOM 0 HB2 SER A 65 1.676 -3.045 -13.957 1.00 1.05 H new ATOM 0 HB3 SER A 65 1.579 -3.808 -15.531 1.00 1.05 H new ATOM 0 HG SER A 65 2.363 -5.127 -13.525 1.00 0.75 H new ATOM 1031 N LYS A 66 4.484 -1.052 -13.871 1.00 0.69 N ATOM 1032 CA LYS A 66 5.357 -0.537 -12.780 1.00 0.33 C ATOM 1033 C LYS A 66 5.156 -1.343 -11.497 1.00 0.22 C ATOM 1034 O LYS A 66 6.058 -1.867 -10.883 1.00 0.22 O ATOM 1035 CB LYS A 66 5.012 0.958 -12.623 1.00 0.47 C ATOM 1036 CG LYS A 66 5.456 1.665 -13.927 1.00 0.41 C ATOM 1037 CD LYS A 66 5.402 3.197 -13.729 1.00 0.75 C ATOM 1038 CE LYS A 66 5.790 3.892 -15.030 1.00 0.18 C ATOM 1039 NZ LYS A 66 4.743 3.582 -16.063 1.00 1.18 N ATOM 0 H LYS A 66 4.036 -0.336 -14.442 1.00 0.69 H new ATOM 0 HA LYS A 66 6.416 -0.645 -13.015 1.00 0.33 H new ATOM 0 HB2 LYS A 66 3.943 1.092 -12.457 1.00 0.47 H new ATOM 0 HB3 LYS A 66 5.524 1.383 -11.760 1.00 0.47 H new ATOM 0 HG2 LYS A 66 6.467 1.358 -14.193 1.00 0.41 H new ATOM 0 HG3 LYS A 66 4.806 1.371 -14.751 1.00 0.41 H new ATOM 0 HD2 LYS A 66 4.399 3.500 -13.427 1.00 0.75 H new ATOM 0 HD3 LYS A 66 6.080 3.495 -12.929 1.00 0.75 H new ATOM 0 HE2 LYS A 66 5.865 4.969 -14.877 1.00 0.18 H new ATOM 0 HE3 LYS A 66 6.768 3.549 -15.366 1.00 0.18 H new ATOM 0 HZ1 LYS A 66 4.766 4.307 -16.809 1.00 1.18 H new ATOM 0 HZ2 LYS A 66 4.933 2.649 -16.481 1.00 1.18 H new ATOM 0 HZ3 LYS A 66 3.804 3.576 -15.615 1.00 1.18 H new ATOM 1053 N GLU A 67 3.904 -1.383 -11.177 1.00 0.54 N ATOM 1054 CA GLU A 67 3.315 -2.067 -10.015 1.00 0.58 C ATOM 1055 C GLU A 67 3.852 -3.484 -9.721 1.00 0.56 C ATOM 1056 O GLU A 67 4.189 -3.794 -8.594 1.00 0.59 O ATOM 1057 CB GLU A 67 1.796 -1.967 -10.333 1.00 0.90 C ATOM 1058 CG GLU A 67 1.342 -0.418 -10.228 1.00 1.16 C ATOM 1059 CD GLU A 67 -0.184 -0.151 -10.297 1.00 1.97 C ATOM 1060 OE1 GLU A 67 -0.853 -0.906 -9.605 1.00 0.29 O ATOM 1061 OE2 GLU A 67 -0.578 0.778 -11.000 1.00 4.34 O ATOM 0 H GLU A 67 3.197 -0.914 -11.743 1.00 0.54 H new ATOM 0 HA GLU A 67 3.585 -1.607 -9.064 1.00 0.58 H new ATOM 0 HB2 GLU A 67 1.593 -2.353 -11.332 1.00 0.90 H new ATOM 0 HB3 GLU A 67 1.223 -2.576 -9.634 1.00 0.90 H new ATOM 0 HG2 GLU A 67 1.720 -0.012 -9.290 1.00 1.16 H new ATOM 0 HG3 GLU A 67 1.825 0.137 -11.033 1.00 1.16 H new ATOM 1068 N ASP A 68 3.923 -4.343 -10.690 1.00 0.61 N ATOM 1069 CA ASP A 68 4.451 -5.717 -10.452 1.00 0.70 C ATOM 1070 C ASP A 68 5.975 -5.654 -10.282 1.00 0.56 C ATOM 1071 O ASP A 68 6.586 -6.384 -9.519 1.00 0.62 O ATOM 1072 CB ASP A 68 3.964 -6.466 -11.633 1.00 1.13 C ATOM 1073 CG ASP A 68 2.478 -6.766 -11.421 1.00 1.48 C ATOM 1074 OD1 ASP A 68 2.201 -7.566 -10.544 1.00 1.68 O ATOM 1075 OD2 ASP A 68 1.745 -6.143 -12.169 1.00 1.57 O ATOM 0 H ASP A 68 3.636 -4.154 -11.650 1.00 0.61 H new ATOM 0 HA ASP A 68 4.117 -6.210 -9.539 1.00 0.70 H new ATOM 0 HB2 ASP A 68 4.109 -5.882 -12.542 1.00 1.13 H new ATOM 0 HB3 ASP A 68 4.526 -7.392 -11.756 1.00 1.13 H new ATOM 1080 N ALA A 69 6.548 -4.747 -11.013 1.00 0.50 N ATOM 1081 CA ALA A 69 8.032 -4.573 -10.921 1.00 0.55 C ATOM 1082 C ALA A 69 8.227 -4.111 -9.443 1.00 0.44 C ATOM 1083 O ALA A 69 9.163 -4.532 -8.796 1.00 0.58 O ATOM 1084 CB ALA A 69 8.485 -3.505 -11.923 1.00 0.50 C ATOM 0 H ALA A 69 6.069 -4.124 -11.663 1.00 0.50 H new ATOM 0 HA ALA A 69 8.613 -5.465 -11.157 1.00 0.55 H new ATOM 0 HB1 ALA A 69 9.566 -3.378 -11.856 1.00 0.50 H new ATOM 0 HB2 ALA A 69 8.218 -3.817 -12.933 1.00 0.50 H new ATOM 0 HB3 ALA A 69 7.994 -2.559 -11.694 1.00 0.50 H new ATOM 1090 N MET A 70 7.351 -3.257 -8.954 1.00 0.20 N ATOM 1091 CA MET A 70 7.450 -2.778 -7.548 1.00 0.19 C ATOM 1092 C MET A 70 7.503 -3.995 -6.632 1.00 0.13 C ATOM 1093 O MET A 70 8.429 -4.065 -5.860 1.00 0.11 O ATOM 1094 CB MET A 70 6.210 -1.876 -7.215 1.00 0.18 C ATOM 1095 CG MET A 70 6.237 -0.573 -8.048 1.00 0.26 C ATOM 1096 SD MET A 70 4.847 0.579 -7.895 1.00 0.53 S ATOM 1097 CE MET A 70 5.767 2.112 -8.190 1.00 1.41 C ATOM 0 H MET A 70 6.567 -2.873 -9.481 1.00 0.20 H new ATOM 0 HA MET A 70 8.350 -2.181 -7.404 1.00 0.19 H new ATOM 0 HB2 MET A 70 5.291 -2.424 -7.420 1.00 0.18 H new ATOM 0 HB3 MET A 70 6.206 -1.633 -6.152 1.00 0.18 H new ATOM 0 HG2 MET A 70 7.147 -0.032 -7.788 1.00 0.26 H new ATOM 0 HG3 MET A 70 6.322 -0.852 -9.098 1.00 0.26 H new ATOM 0 HE1 MET A 70 5.918 2.633 -7.245 1.00 1.41 H new ATOM 0 HE2 MET A 70 6.735 1.876 -8.633 1.00 1.41 H new ATOM 0 HE3 MET A 70 5.202 2.750 -8.870 1.00 1.41 H new ATOM 1107 N LYS A 71 6.557 -4.899 -6.723 1.00 0.11 N ATOM 1108 CA LYS A 71 6.590 -6.105 -5.840 1.00 0.06 C ATOM 1109 C LYS A 71 8.005 -6.686 -5.820 1.00 0.06 C ATOM 1110 O LYS A 71 8.667 -6.661 -4.811 1.00 0.14 O ATOM 1111 CB LYS A 71 5.600 -7.187 -6.355 1.00 0.08 C ATOM 1112 CG LYS A 71 4.198 -6.897 -5.827 1.00 0.38 C ATOM 1113 CD LYS A 71 3.686 -5.670 -6.540 1.00 0.49 C ATOM 1114 CE LYS A 71 2.291 -5.346 -6.141 1.00 0.82 C ATOM 1115 NZ LYS A 71 1.980 -4.122 -6.926 1.00 0.87 N ATOM 0 H LYS A 71 5.768 -4.854 -7.367 1.00 0.11 H new ATOM 0 HA LYS A 71 6.296 -5.807 -4.834 1.00 0.06 H new ATOM 0 HB2 LYS A 71 5.593 -7.198 -7.445 1.00 0.08 H new ATOM 0 HB3 LYS A 71 5.924 -8.175 -6.029 1.00 0.08 H new ATOM 0 HG2 LYS A 71 3.539 -7.746 -6.005 1.00 0.38 H new ATOM 0 HG3 LYS A 71 4.221 -6.732 -4.750 1.00 0.38 H new ATOM 0 HD2 LYS A 71 4.334 -4.823 -6.318 1.00 0.49 H new ATOM 0 HD3 LYS A 71 3.729 -5.830 -7.617 1.00 0.49 H new ATOM 0 HE2 LYS A 71 1.606 -6.160 -6.379 1.00 0.82 H new ATOM 0 HE3 LYS A 71 2.212 -5.166 -5.069 1.00 0.82 H new ATOM 0 HZ1 LYS A 71 1.638 -3.377 -6.286 1.00 0.87 H new ATOM 0 HZ2 LYS A 71 2.839 -3.794 -7.412 1.00 0.87 H new ATOM 0 HZ3 LYS A 71 1.245 -4.338 -7.629 1.00 0.87 H new ATOM 1129 N ALA A 72 8.458 -7.169 -6.940 1.00 0.17 N ATOM 1130 CA ALA A 72 9.819 -7.759 -7.020 1.00 0.23 C ATOM 1131 C ALA A 72 10.863 -6.789 -6.396 1.00 0.28 C ATOM 1132 O ALA A 72 11.638 -7.179 -5.546 1.00 0.52 O ATOM 1133 CB ALA A 72 9.960 -8.028 -8.524 1.00 0.31 C ATOM 0 H ALA A 72 7.935 -7.180 -7.816 1.00 0.17 H new ATOM 0 HA ALA A 72 9.985 -8.674 -6.451 1.00 0.23 H new ATOM 0 HB1 ALA A 72 10.936 -8.471 -8.725 1.00 0.31 H new ATOM 0 HB2 ALA A 72 9.177 -8.714 -8.846 1.00 0.31 H new ATOM 0 HB3 ALA A 72 9.868 -7.090 -9.072 1.00 0.31 H new ATOM 1139 N TYR A 73 10.860 -5.549 -6.826 1.00 0.32 N ATOM 1140 CA TYR A 73 11.823 -4.553 -6.284 1.00 0.33 C ATOM 1141 C TYR A 73 11.825 -4.559 -4.757 1.00 0.28 C ATOM 1142 O TYR A 73 12.834 -4.764 -4.125 1.00 0.29 O ATOM 1143 CB TYR A 73 11.403 -3.201 -6.838 1.00 0.36 C ATOM 1144 CG TYR A 73 12.337 -2.100 -6.340 1.00 0.42 C ATOM 1145 CD1 TYR A 73 13.568 -1.963 -6.933 1.00 0.50 C ATOM 1146 CD2 TYR A 73 11.977 -1.240 -5.317 1.00 0.42 C ATOM 1147 CE1 TYR A 73 14.431 -0.985 -6.518 1.00 0.58 C ATOM 1148 CE2 TYR A 73 12.857 -0.257 -4.907 1.00 0.51 C ATOM 1149 CZ TYR A 73 14.082 -0.134 -5.513 1.00 0.59 C ATOM 1150 OH TYR A 73 14.970 0.834 -5.124 1.00 0.70 O ATOM 0 H TYR A 73 10.223 -5.187 -7.536 1.00 0.32 H new ATOM 0 HA TYR A 73 12.843 -4.792 -6.584 1.00 0.33 H new ATOM 0 HB2 TYR A 73 11.415 -3.229 -7.928 1.00 0.36 H new ATOM 0 HB3 TYR A 73 10.379 -2.981 -6.536 1.00 0.36 H new ATOM 0 HD1 TYR A 73 13.857 -2.631 -7.731 1.00 0.50 H new ATOM 0 HD2 TYR A 73 11.012 -1.337 -4.841 1.00 0.42 H new ATOM 0 HE1 TYR A 73 15.397 -0.887 -6.991 1.00 0.58 H new ATOM 0 HE2 TYR A 73 12.580 0.416 -4.108 1.00 0.51 H new ATOM 0 HH TYR A 73 14.904 1.601 -5.730 1.00 0.70 H new ATOM 1160 N ILE A 74 10.662 -4.341 -4.226 1.00 0.24 N ATOM 1161 CA ILE A 74 10.432 -4.294 -2.755 1.00 0.20 C ATOM 1162 C ILE A 74 10.848 -5.632 -2.123 1.00 0.29 C ATOM 1163 O ILE A 74 11.543 -5.675 -1.134 1.00 0.46 O ATOM 1164 CB ILE A 74 8.941 -3.979 -2.573 1.00 0.15 C ATOM 1165 CG1 ILE A 74 8.613 -2.637 -3.265 1.00 0.38 C ATOM 1166 CG2 ILE A 74 8.669 -3.777 -1.068 1.00 0.34 C ATOM 1167 CD1 ILE A 74 7.102 -2.564 -3.505 1.00 0.79 C ATOM 0 H ILE A 74 9.818 -4.185 -4.777 1.00 0.24 H new ATOM 0 HA ILE A 74 11.030 -3.532 -2.254 1.00 0.20 H new ATOM 0 HB ILE A 74 8.345 -4.791 -2.991 1.00 0.15 H new ATOM 0 HG12 ILE A 74 8.938 -1.802 -2.644 1.00 0.38 H new ATOM 0 HG13 ILE A 74 9.150 -2.558 -4.210 1.00 0.38 H new ATOM 0 HG21 ILE A 74 7.613 -3.552 -0.916 1.00 0.34 H new ATOM 0 HG22 ILE A 74 8.928 -4.687 -0.526 1.00 0.34 H new ATOM 0 HG23 ILE A 74 9.274 -2.950 -0.697 1.00 0.34 H new ATOM 0 HD11 ILE A 74 6.856 -1.621 -3.993 1.00 0.79 H new ATOM 0 HD12 ILE A 74 6.794 -3.393 -4.142 1.00 0.79 H new ATOM 0 HD13 ILE A 74 6.579 -2.626 -2.551 1.00 0.79 H new ATOM 1179 N ASP A 75 10.451 -6.696 -2.752 1.00 0.23 N ATOM 1180 CA ASP A 75 10.770 -8.061 -2.258 1.00 0.37 C ATOM 1181 C ASP A 75 12.289 -8.319 -2.411 1.00 0.53 C ATOM 1182 O ASP A 75 12.863 -9.209 -1.806 1.00 0.92 O ATOM 1183 CB ASP A 75 9.880 -8.975 -3.088 1.00 0.43 C ATOM 1184 CG ASP A 75 8.508 -9.146 -2.429 1.00 0.40 C ATOM 1185 OD1 ASP A 75 7.754 -8.185 -2.487 1.00 0.47 O ATOM 1186 OD2 ASP A 75 8.315 -10.233 -1.913 1.00 0.49 O ATOM 0 H ASP A 75 9.903 -6.677 -3.612 1.00 0.23 H new ATOM 0 HA ASP A 75 10.573 -8.225 -1.199 1.00 0.37 H new ATOM 0 HB2 ASP A 75 9.758 -8.560 -4.089 1.00 0.43 H new ATOM 0 HB3 ASP A 75 10.357 -9.948 -3.202 1.00 0.43 H new ATOM 1191 N LYS A 76 12.913 -7.495 -3.218 1.00 0.29 N ATOM 1192 CA LYS A 76 14.391 -7.629 -3.452 1.00 0.37 C ATOM 1193 C LYS A 76 15.009 -6.770 -2.335 1.00 0.40 C ATOM 1194 O LYS A 76 15.925 -7.188 -1.657 1.00 0.39 O ATOM 1195 CB LYS A 76 14.715 -7.106 -4.852 1.00 0.37 C ATOM 1196 CG LYS A 76 16.123 -7.647 -5.226 1.00 0.77 C ATOM 1197 CD LYS A 76 15.918 -9.121 -5.700 1.00 1.28 C ATOM 1198 CE LYS A 76 17.220 -9.893 -5.936 1.00 1.41 C ATOM 1199 NZ LYS A 76 17.850 -10.188 -4.618 1.00 2.18 N ATOM 0 H LYS A 76 12.464 -6.733 -3.727 1.00 0.29 H new ATOM 0 HA LYS A 76 14.773 -8.649 -3.417 1.00 0.37 H new ATOM 0 HB2 LYS A 76 13.969 -7.443 -5.572 1.00 0.37 H new ATOM 0 HB3 LYS A 76 14.704 -6.016 -4.868 1.00 0.37 H new ATOM 0 HG2 LYS A 76 16.573 -7.045 -6.015 1.00 0.77 H new ATOM 0 HG3 LYS A 76 16.795 -7.605 -4.369 1.00 0.77 H new ATOM 0 HD2 LYS A 76 15.325 -9.651 -4.955 1.00 1.28 H new ATOM 0 HD3 LYS A 76 15.339 -9.116 -6.624 1.00 1.28 H new ATOM 0 HE2 LYS A 76 17.017 -10.820 -6.473 1.00 1.41 H new ATOM 0 HE3 LYS A 76 17.899 -9.307 -6.556 1.00 1.41 H new ATOM 0 HZ1 LYS A 76 18.390 -11.074 -4.682 1.00 2.18 H new ATOM 0 HZ2 LYS A 76 18.490 -9.411 -4.357 1.00 2.18 H new ATOM 0 HZ3 LYS A 76 17.110 -10.285 -3.894 1.00 2.18 H new ATOM 1213 N VAL A 77 14.514 -5.576 -2.160 1.00 0.39 N ATOM 1214 CA VAL A 77 15.017 -4.660 -1.080 1.00 0.40 C ATOM 1215 C VAL A 77 14.963 -5.569 0.165 1.00 0.44 C ATOM 1216 O VAL A 77 15.904 -5.629 0.921 1.00 0.35 O ATOM 1217 CB VAL A 77 14.070 -3.441 -0.981 1.00 0.39 C ATOM 1218 CG1 VAL A 77 14.441 -2.655 0.299 1.00 0.54 C ATOM 1219 CG2 VAL A 77 14.317 -2.530 -2.237 1.00 0.38 C ATOM 0 H VAL A 77 13.765 -5.182 -2.730 1.00 0.39 H new ATOM 0 HA VAL A 77 16.012 -4.244 -1.235 1.00 0.40 H new ATOM 0 HB VAL A 77 13.026 -3.751 -0.944 1.00 0.39 H new ATOM 0 HG11 VAL A 77 13.788 -1.788 0.395 1.00 0.54 H new ATOM 0 HG12 VAL A 77 14.319 -3.299 1.170 1.00 0.54 H new ATOM 0 HG13 VAL A 77 15.477 -2.324 0.235 1.00 0.54 H new ATOM 0 HG21 VAL A 77 13.660 -1.661 -2.191 1.00 0.38 H new ATOM 0 HG22 VAL A 77 15.356 -2.199 -2.248 1.00 0.38 H new ATOM 0 HG23 VAL A 77 14.107 -3.096 -3.144 1.00 0.38 H new ATOM 1229 N GLU A 78 13.861 -6.246 0.370 1.00 0.56 N ATOM 1230 CA GLU A 78 13.733 -7.172 1.530 1.00 0.59 C ATOM 1231 C GLU A 78 15.027 -8.036 1.571 1.00 0.40 C ATOM 1232 O GLU A 78 15.725 -7.998 2.571 1.00 0.23 O ATOM 1233 CB GLU A 78 12.411 -7.952 1.267 1.00 0.89 C ATOM 1234 CG GLU A 78 11.271 -7.474 2.254 1.00 1.32 C ATOM 1235 CD GLU A 78 11.371 -5.973 2.553 1.00 1.37 C ATOM 1236 OE1 GLU A 78 11.107 -5.179 1.679 1.00 1.18 O ATOM 1237 OE2 GLU A 78 11.735 -5.703 3.691 1.00 1.67 O ATOM 0 H GLU A 78 13.035 -6.194 -0.227 1.00 0.56 H new ATOM 0 HA GLU A 78 13.660 -6.708 2.514 1.00 0.59 H new ATOM 0 HB2 GLU A 78 12.093 -7.800 0.236 1.00 0.89 H new ATOM 0 HB3 GLU A 78 12.583 -9.021 1.393 1.00 0.89 H new ATOM 0 HG2 GLU A 78 10.297 -7.694 1.818 1.00 1.32 H new ATOM 0 HG3 GLU A 78 11.337 -8.036 3.186 1.00 1.32 H new ATOM 1244 N GLU A 79 15.327 -8.763 0.522 1.00 0.46 N ATOM 1245 CA GLU A 79 16.576 -9.602 0.507 1.00 0.43 C ATOM 1246 C GLU A 79 17.819 -8.785 0.966 1.00 0.29 C ATOM 1247 O GLU A 79 18.668 -9.240 1.703 1.00 0.37 O ATOM 1248 CB GLU A 79 16.851 -10.100 -0.914 1.00 0.52 C ATOM 1249 CG GLU A 79 16.150 -11.428 -1.282 1.00 1.14 C ATOM 1250 CD GLU A 79 16.536 -11.748 -2.715 1.00 3.04 C ATOM 1251 OE1 GLU A 79 17.624 -12.274 -2.869 1.00 3.82 O ATOM 1252 OE2 GLU A 79 15.787 -11.448 -3.620 1.00 4.18 O ATOM 0 H GLU A 79 14.763 -8.814 -0.327 1.00 0.46 H new ATOM 0 HA GLU A 79 16.413 -10.434 1.192 1.00 0.43 H new ATOM 0 HB2 GLU A 79 16.537 -9.332 -1.620 1.00 0.52 H new ATOM 0 HB3 GLU A 79 17.927 -10.227 -1.038 1.00 0.52 H new ATOM 0 HG2 GLU A 79 16.461 -12.228 -0.610 1.00 1.14 H new ATOM 0 HG3 GLU A 79 15.068 -11.333 -1.185 1.00 1.14 H new ATOM 1259 N LEU A 80 17.876 -7.562 0.517 1.00 0.29 N ATOM 1260 CA LEU A 80 19.022 -6.644 0.852 1.00 0.45 C ATOM 1261 C LEU A 80 19.009 -6.185 2.305 1.00 0.59 C ATOM 1262 O LEU A 80 20.017 -6.194 2.974 1.00 0.84 O ATOM 1263 CB LEU A 80 18.934 -5.479 -0.133 1.00 0.25 C ATOM 1264 CG LEU A 80 19.272 -6.055 -1.515 1.00 0.48 C ATOM 1265 CD1 LEU A 80 19.003 -5.016 -2.567 1.00 0.57 C ATOM 1266 CD2 LEU A 80 20.771 -6.332 -1.561 1.00 0.66 C ATOM 0 H LEU A 80 17.164 -7.143 -0.082 1.00 0.29 H new ATOM 0 HA LEU A 80 19.973 -7.166 0.752 1.00 0.45 H new ATOM 0 HB2 LEU A 80 17.936 -5.041 -0.128 1.00 0.25 H new ATOM 0 HB3 LEU A 80 19.631 -4.687 0.139 1.00 0.25 H new ATOM 0 HG LEU A 80 18.679 -6.953 -1.688 1.00 0.48 H new ATOM 0 HD11 LEU A 80 19.242 -5.423 -3.550 1.00 0.57 H new ATOM 0 HD12 LEU A 80 17.951 -4.733 -2.538 1.00 0.57 H new ATOM 0 HD13 LEU A 80 19.620 -4.138 -2.378 1.00 0.57 H new ATOM 0 HD21 LEU A 80 21.035 -6.743 -2.535 1.00 0.66 H new ATOM 0 HD22 LEU A 80 21.318 -5.403 -1.398 1.00 0.66 H new ATOM 0 HD23 LEU A 80 21.033 -7.048 -0.782 1.00 0.66 H new ATOM 1278 N LYS A 81 17.871 -5.780 2.768 1.00 0.49 N ATOM 1279 CA LYS A 81 17.719 -5.329 4.175 1.00 0.76 C ATOM 1280 C LYS A 81 18.183 -6.547 4.974 1.00 0.91 C ATOM 1281 O LYS A 81 18.966 -6.405 5.892 1.00 1.20 O ATOM 1282 CB LYS A 81 16.219 -4.938 4.299 1.00 0.93 C ATOM 1283 CG LYS A 81 15.696 -4.970 5.747 1.00 1.34 C ATOM 1284 CD LYS A 81 14.308 -4.239 5.782 1.00 1.93 C ATOM 1285 CE LYS A 81 13.575 -4.552 7.088 1.00 2.30 C ATOM 1286 NZ LYS A 81 14.416 -4.041 8.205 1.00 2.59 N ATOM 0 H LYS A 81 17.013 -5.740 2.217 1.00 0.49 H new ATOM 0 HA LYS A 81 18.286 -4.467 4.525 1.00 0.76 H new ATOM 0 HB2 LYS A 81 16.077 -3.937 3.891 1.00 0.93 H new ATOM 0 HB3 LYS A 81 15.623 -5.617 3.690 1.00 0.93 H new ATOM 0 HG2 LYS A 81 15.593 -5.999 6.091 1.00 1.34 H new ATOM 0 HG3 LYS A 81 16.402 -4.479 6.417 1.00 1.34 H new ATOM 0 HD2 LYS A 81 14.454 -3.163 5.688 1.00 1.93 H new ATOM 0 HD3 LYS A 81 13.702 -4.554 4.933 1.00 1.93 H new ATOM 0 HE2 LYS A 81 12.593 -4.079 7.100 1.00 2.30 H new ATOM 0 HE3 LYS A 81 13.413 -5.625 7.189 1.00 2.30 H new ATOM 0 HZ1 LYS A 81 13.855 -4.019 9.080 1.00 2.59 H new ATOM 0 HZ2 LYS A 81 15.237 -4.666 8.336 1.00 2.59 H new ATOM 0 HZ3 LYS A 81 14.745 -3.080 7.981 1.00 2.59 H new ATOM 1300 N LYS A 82 17.694 -7.701 4.592 1.00 0.74 N ATOM 1301 CA LYS A 82 18.090 -8.954 5.287 1.00 0.83 C ATOM 1302 C LYS A 82 19.599 -9.234 5.152 1.00 0.78 C ATOM 1303 O LYS A 82 20.212 -9.846 6.000 1.00 0.68 O ATOM 1304 CB LYS A 82 17.292 -10.106 4.693 1.00 0.94 C ATOM 1305 CG LYS A 82 15.802 -9.918 5.005 1.00 1.08 C ATOM 1306 CD LYS A 82 15.068 -11.099 4.353 1.00 1.30 C ATOM 1307 CE LYS A 82 13.553 -10.961 4.463 1.00 1.51 C ATOM 1308 NZ LYS A 82 13.167 -10.872 5.911 1.00 4.05 N ATOM 0 H LYS A 82 17.034 -7.824 3.824 1.00 0.74 H new ATOM 0 HA LYS A 82 17.878 -8.846 6.351 1.00 0.83 H new ATOM 0 HB2 LYS A 82 17.445 -10.149 3.615 1.00 0.94 H new ATOM 0 HB3 LYS A 82 17.643 -11.053 5.103 1.00 0.94 H new ATOM 0 HG2 LYS A 82 15.630 -9.901 6.081 1.00 1.08 H new ATOM 0 HG3 LYS A 82 15.439 -8.969 4.609 1.00 1.08 H new ATOM 0 HD2 LYS A 82 15.351 -11.166 3.302 1.00 1.30 H new ATOM 0 HD3 LYS A 82 15.383 -12.028 4.828 1.00 1.30 H new ATOM 0 HE2 LYS A 82 13.218 -10.071 3.930 1.00 1.51 H new ATOM 0 HE3 LYS A 82 13.064 -11.816 3.996 1.00 1.51 H new ATOM 0 HZ1 LYS A 82 12.134 -10.948 6.000 1.00 4.05 H new ATOM 0 HZ2 LYS A 82 13.618 -11.646 6.439 1.00 4.05 H new ATOM 0 HZ3 LYS A 82 13.481 -9.960 6.299 1.00 4.05 H new ATOM 1322 N LYS A 83 20.155 -8.782 4.070 1.00 0.97 N ATOM 1323 CA LYS A 83 21.629 -8.984 3.820 1.00 1.03 C ATOM 1324 C LYS A 83 22.530 -7.948 4.533 1.00 1.22 C ATOM 1325 O LYS A 83 23.570 -8.307 5.040 1.00 1.32 O ATOM 1326 CB LYS A 83 21.881 -8.925 2.284 1.00 0.84 C ATOM 1327 CG LYS A 83 21.350 -10.210 1.624 1.00 0.82 C ATOM 1328 CD LYS A 83 20.996 -9.979 0.106 1.00 0.62 C ATOM 1329 CE LYS A 83 20.543 -11.330 -0.447 1.00 0.93 C ATOM 1330 NZ LYS A 83 19.909 -11.164 -1.798 1.00 1.42 N ATOM 0 H LYS A 83 19.660 -8.276 3.335 1.00 0.97 H new ATOM 0 HA LYS A 83 21.898 -9.955 4.235 1.00 1.03 H new ATOM 0 HB2 LYS A 83 21.385 -8.053 1.857 1.00 0.84 H new ATOM 0 HB3 LYS A 83 22.947 -8.815 2.084 1.00 0.84 H new ATOM 0 HG2 LYS A 83 22.098 -10.999 1.708 1.00 0.82 H new ATOM 0 HG3 LYS A 83 20.463 -10.554 2.157 1.00 0.82 H new ATOM 0 HD2 LYS A 83 20.208 -9.233 0.001 1.00 0.62 H new ATOM 0 HD3 LYS A 83 21.862 -9.607 -0.442 1.00 0.62 H new ATOM 0 HE2 LYS A 83 21.397 -12.003 -0.521 1.00 0.93 H new ATOM 0 HE3 LYS A 83 19.833 -11.790 0.240 1.00 0.93 H new ATOM 0 HZ1 LYS A 83 19.043 -11.738 -1.848 1.00 1.42 H new ATOM 0 HZ2 LYS A 83 19.670 -10.163 -1.949 1.00 1.42 H new ATOM 0 HZ3 LYS A 83 20.574 -11.475 -2.534 1.00 1.42 H new ATOM 1344 N TYR A 84 22.137 -6.706 4.556 1.00 1.24 N ATOM 1345 CA TYR A 84 22.940 -5.629 5.216 1.00 1.40 C ATOM 1346 C TYR A 84 22.550 -5.190 6.642 1.00 1.65 C ATOM 1347 O TYR A 84 23.407 -4.614 7.285 1.00 2.72 O ATOM 1348 CB TYR A 84 22.934 -4.431 4.202 1.00 1.29 C ATOM 1349 CG TYR A 84 23.571 -4.998 2.915 1.00 1.27 C ATOM 1350 CD1 TYR A 84 24.917 -5.336 2.933 1.00 2.83 C ATOM 1351 CD2 TYR A 84 22.850 -5.240 1.751 1.00 2.55 C ATOM 1352 CE1 TYR A 84 25.513 -5.900 1.823 1.00 2.99 C ATOM 1353 CE2 TYR A 84 23.463 -5.800 0.672 1.00 2.36 C ATOM 1354 CZ TYR A 84 24.776 -6.132 0.699 1.00 1.35 C ATOM 1355 OH TYR A 84 25.336 -6.715 -0.410 1.00 1.42 O ATOM 0 H TYR A 84 21.268 -6.380 4.133 1.00 1.24 H new ATOM 0 HA TYR A 84 23.930 -6.039 5.419 1.00 1.40 H new ATOM 0 HB2 TYR A 84 21.921 -4.074 4.017 1.00 1.29 H new ATOM 0 HB3 TYR A 84 23.505 -3.585 4.586 1.00 1.29 H new ATOM 0 HD1 TYR A 84 25.503 -5.156 3.822 1.00 2.83 H new ATOM 0 HD2 TYR A 84 21.802 -4.983 1.703 1.00 2.55 H new ATOM 0 HE1 TYR A 84 26.562 -6.157 1.845 1.00 2.99 H new ATOM 0 HE2 TYR A 84 22.890 -5.984 -0.225 1.00 2.36 H new ATOM 0 HH TYR A 84 24.652 -7.226 -0.892 1.00 1.42 H new ATOM 1365 N GLY A 85 21.349 -5.413 7.127 1.00 1.29 N ATOM 1366 CA GLY A 85 21.057 -4.967 8.547 1.00 1.36 C ATOM 1367 C GLY A 85 20.153 -3.790 8.877 1.00 1.57 C ATOM 1368 O GLY A 85 20.329 -3.201 9.924 1.00 2.41 O ATOM 0 H GLY A 85 20.580 -5.865 6.632 1.00 1.29 H new ATOM 0 HA2 GLY A 85 20.639 -5.832 9.063 1.00 1.36 H new ATOM 0 HA3 GLY A 85 22.021 -4.755 9.009 1.00 1.36 H new ATOM 1372 N ILE A 86 19.224 -3.453 8.030 1.00 1.08 N ATOM 1373 CA ILE A 86 18.305 -2.307 8.326 1.00 1.71 C ATOM 1374 C ILE A 86 16.919 -2.900 8.720 1.00 2.22 C ATOM 1375 O ILE A 86 16.811 -4.117 8.786 1.00 1.90 O ATOM 1376 CB ILE A 86 18.303 -1.435 7.015 1.00 1.24 C ATOM 1377 CG1 ILE A 86 17.482 -0.149 7.232 1.00 1.54 C ATOM 1378 CG2 ILE A 86 17.646 -2.237 5.885 1.00 0.59 C ATOM 1379 CD1 ILE A 86 17.591 0.807 6.008 1.00 1.18 C ATOM 1380 OXT ILE A 86 15.980 -2.157 8.950 1.00 3.26 O ATOM 0 H ILE A 86 19.056 -3.921 7.139 1.00 1.08 H new ATOM 0 HA ILE A 86 18.603 -1.672 9.160 1.00 1.71 H new ATOM 0 HB ILE A 86 19.331 -1.176 6.762 1.00 1.24 H new ATOM 0 HG12 ILE A 86 16.437 -0.407 7.402 1.00 1.54 H new ATOM 0 HG13 ILE A 86 17.834 0.363 8.128 1.00 1.54 H new ATOM 0 HG21 ILE A 86 17.640 -1.641 4.972 1.00 0.59 H new ATOM 0 HG22 ILE A 86 18.209 -3.155 5.715 1.00 0.59 H new ATOM 0 HG23 ILE A 86 16.622 -2.486 6.163 1.00 0.59 H new ATOM 0 HD11 ILE A 86 17.001 1.704 6.193 1.00 1.18 H new ATOM 0 HD12 ILE A 86 18.634 1.084 5.855 1.00 1.18 H new ATOM 0 HD13 ILE A 86 17.215 0.303 5.118 1.00 1.18 H new