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 50 LYS NZ :NH3+ 155:sc= 0.383 (180deg=-1.02!) USER MOD Set 1.2: A 54 LYS NZ :NH3+ -155:sc= 0.68 (180deg=1.09) USER MOD Set 2.1: A 29 SER OG : rot -87:sc= 1.16 USER MOD Set 2.2: A 30 HIS : no HE2:sc= 0.0787 K(o=1.2,f=-9.2!) USER MOD Single : A 7 LYS NZ :NH3+ -144:sc= -5.34! (180deg=-7.27!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 0.68 K(o=0.68,f=-4.9!) USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0596) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0808 USER MOD Single : A 18 LYS NZ :NH3+ -152:sc= -0.202 (180deg=-1.29!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 170:sc= -1.19 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -5.31! C(o=-5.3!,f=-7.9!) USER MOD Single : A 35 THR OG1 : rot -72:sc= 1.09 USER MOD Single : A 40 ASN : amide:sc= 0.451 K(o=0.45,f=-0.11) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.897 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -108:sc= -6.68! (180deg=-10.4!) USER MOD Single : A 59 ASN : amide:sc= -0.0223 K(o=-0.022,f=-0.85) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 91:sc= 0.564 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -117:sc= 0.108 (180deg=0.000941) USER MOD Single : A 70 MET CE :methyl -114:sc= -0.179 (180deg=-3.17!) USER MOD Single : A 71 LYS NZ :NH3+ 139:sc= -0.0272 (180deg=-4.66!) USER MOD Single : A 73 TYR OH : rot 84:sc= -1.32! USER MOD Single : A 76 LYS NZ :NH3+ -133:sc= 1.26 (180deg=-3.13!) USER MOD Single : A 81 LYS NZ :NH3+ 151:sc= -2.6! (180deg=-3.24!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -116:sc= -4.25! (180deg=-7.8!) USER MOD Single : A 84 TYR OH : rot 169:sc= 1.69 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 3.351 3.698 -2.863 1.00 0.64 N ATOM 32 CA ALA A 3 4.444 4.429 -2.141 1.00 0.81 C ATOM 33 C ALA A 3 5.355 3.451 -1.340 1.00 0.70 C ATOM 34 O ALA A 3 6.494 3.724 -1.031 1.00 0.66 O ATOM 35 CB ALA A 3 3.744 5.444 -1.228 1.00 1.19 C ATOM 0 HA ALA A 3 5.112 4.933 -2.839 1.00 0.81 H new ATOM 0 HB1 ALA A 3 4.492 6.010 -0.673 1.00 1.19 H new ATOM 0 HB2 ALA A 3 3.147 6.127 -1.833 1.00 1.19 H new ATOM 0 HB3 ALA A 3 3.095 4.917 -0.529 1.00 1.19 H new ATOM 41 N GLU A 4 4.820 2.302 -1.023 1.00 0.69 N ATOM 42 CA GLU A 4 5.609 1.294 -0.260 1.00 0.72 C ATOM 43 C GLU A 4 6.897 0.963 -0.999 1.00 0.45 C ATOM 44 O GLU A 4 7.899 0.570 -0.441 1.00 0.24 O ATOM 45 CB GLU A 4 4.645 0.117 -0.054 1.00 0.95 C ATOM 46 CG GLU A 4 3.984 0.227 1.358 1.00 1.40 C ATOM 47 CD GLU A 4 3.688 1.687 1.705 1.00 4.10 C ATOM 48 OE1 GLU A 4 2.713 2.178 1.162 1.00 4.56 O ATOM 49 OE2 GLU A 4 4.486 2.194 2.478 1.00 6.07 O ATOM 0 H GLU A 4 3.869 2.019 -1.260 1.00 0.69 H new ATOM 0 HA GLU A 4 5.959 1.641 0.712 1.00 0.72 H new ATOM 0 HB2 GLU A 4 3.878 0.122 -0.828 1.00 0.95 H new ATOM 0 HB3 GLU A 4 5.182 -0.827 -0.143 1.00 0.95 H new ATOM 0 HG2 GLU A 4 3.060 -0.351 1.378 1.00 1.40 H new ATOM 0 HG3 GLU A 4 4.646 -0.203 2.109 1.00 1.40 H new ATOM 56 N PHE A 5 6.800 1.177 -2.266 1.00 0.57 N ATOM 57 CA PHE A 5 7.924 0.941 -3.193 1.00 0.46 C ATOM 58 C PHE A 5 8.870 2.151 -2.999 1.00 0.55 C ATOM 59 O PHE A 5 10.062 2.007 -2.852 1.00 0.46 O ATOM 60 CB PHE A 5 7.254 0.860 -4.520 1.00 0.48 C ATOM 61 CG PHE A 5 8.242 1.051 -5.668 1.00 0.33 C ATOM 62 CD1 PHE A 5 8.482 2.310 -6.154 1.00 2.11 C ATOM 63 CD2 PHE A 5 8.888 -0.022 -6.235 1.00 2.57 C ATOM 64 CE1 PHE A 5 9.349 2.512 -7.194 1.00 1.87 C ATOM 65 CE2 PHE A 5 9.764 0.168 -7.283 1.00 2.80 C ATOM 66 CZ PHE A 5 9.992 1.443 -7.761 1.00 0.59 C ATOM 0 H PHE A 5 5.952 1.520 -2.718 1.00 0.57 H new ATOM 0 HA PHE A 5 8.530 0.046 -3.054 1.00 0.46 H new ATOM 0 HB2 PHE A 5 6.763 -0.108 -4.621 1.00 0.48 H new ATOM 0 HB3 PHE A 5 6.475 1.620 -4.581 1.00 0.48 H new ATOM 0 HD1 PHE A 5 7.979 3.156 -5.709 1.00 2.11 H new ATOM 0 HD2 PHE A 5 8.709 -1.018 -5.858 1.00 2.57 H new ATOM 0 HE1 PHE A 5 9.526 3.510 -7.566 1.00 1.87 H new ATOM 0 HE2 PHE A 5 10.269 -0.677 -7.728 1.00 2.80 H new ATOM 0 HZ PHE A 5 10.677 1.598 -8.582 1.00 0.59 H new ATOM 76 N ASP A 6 8.316 3.328 -3.017 1.00 0.78 N ATOM 77 CA ASP A 6 9.076 4.584 -2.835 1.00 0.95 C ATOM 78 C ASP A 6 9.920 4.468 -1.588 1.00 0.92 C ATOM 79 O ASP A 6 11.118 4.660 -1.552 1.00 1.03 O ATOM 80 CB ASP A 6 8.036 5.702 -2.736 1.00 1.24 C ATOM 81 CG ASP A 6 7.064 5.761 -3.902 1.00 1.41 C ATOM 82 OD1 ASP A 6 6.908 4.774 -4.590 1.00 1.47 O ATOM 83 OD2 ASP A 6 6.482 6.814 -4.047 1.00 3.01 O ATOM 0 H ASP A 6 7.316 3.471 -3.158 1.00 0.78 H new ATOM 0 HA ASP A 6 9.758 4.794 -3.659 1.00 0.95 H new ATOM 0 HB2 ASP A 6 7.470 5.574 -1.813 1.00 1.24 H new ATOM 0 HB3 ASP A 6 8.554 6.658 -2.662 1.00 1.24 H new ATOM 88 N LYS A 7 9.225 4.115 -0.556 1.00 0.83 N ATOM 89 CA LYS A 7 9.926 3.959 0.737 1.00 0.88 C ATOM 90 C LYS A 7 10.928 2.837 0.533 1.00 0.73 C ATOM 91 O LYS A 7 12.048 2.993 0.964 1.00 0.81 O ATOM 92 CB LYS A 7 8.959 3.588 1.877 1.00 0.88 C ATOM 93 CG LYS A 7 9.841 3.723 3.164 1.00 0.86 C ATOM 94 CD LYS A 7 9.058 3.330 4.437 1.00 1.14 C ATOM 95 CE LYS A 7 9.863 3.708 5.703 1.00 0.79 C ATOM 96 NZ LYS A 7 11.199 3.041 5.642 1.00 2.67 N ATOM 0 H LYS A 7 8.222 3.930 -0.548 1.00 0.83 H new ATOM 0 HA LYS A 7 10.400 4.897 1.025 1.00 0.88 H new ATOM 0 HB2 LYS A 7 8.099 4.257 1.908 1.00 0.88 H new ATOM 0 HB3 LYS A 7 8.571 2.576 1.761 1.00 0.88 H new ATOM 0 HG2 LYS A 7 10.723 3.089 3.069 1.00 0.86 H new ATOM 0 HG3 LYS A 7 10.195 4.750 3.257 1.00 0.86 H new ATOM 0 HD2 LYS A 7 8.092 3.835 4.448 1.00 1.14 H new ATOM 0 HD3 LYS A 7 8.857 2.259 4.432 1.00 1.14 H new ATOM 0 HE2 LYS A 7 9.984 4.790 5.764 1.00 0.79 H new ATOM 0 HE3 LYS A 7 9.326 3.396 6.599 1.00 0.79 H new ATOM 0 HZ1 LYS A 7 11.487 2.753 6.599 1.00 2.67 H new ATOM 0 HZ2 LYS A 7 11.140 2.202 5.031 1.00 2.67 H new ATOM 0 HZ3 LYS A 7 11.900 3.704 5.254 1.00 2.67 H new ATOM 110 N ALA A 8 10.567 1.745 -0.103 1.00 0.54 N ATOM 111 CA ALA A 8 11.605 0.672 -0.284 1.00 0.49 C ATOM 112 C ALA A 8 12.828 1.371 -0.963 1.00 0.49 C ATOM 113 O ALA A 8 13.969 1.146 -0.611 1.00 0.51 O ATOM 114 CB ALA A 8 10.970 -0.436 -1.150 1.00 0.34 C ATOM 0 H ALA A 8 9.643 1.552 -0.490 1.00 0.54 H new ATOM 0 HA ALA A 8 11.943 0.204 0.641 1.00 0.49 H new ATOM 0 HB1 ALA A 8 11.694 -1.236 -1.305 1.00 0.34 H new ATOM 0 HB2 ALA A 8 10.091 -0.835 -0.644 1.00 0.34 H new ATOM 0 HB3 ALA A 8 10.676 -0.021 -2.114 1.00 0.34 H new ATOM 120 N ALA A 9 12.584 2.213 -1.935 1.00 0.49 N ATOM 121 CA ALA A 9 13.702 2.935 -2.624 1.00 0.46 C ATOM 122 C ALA A 9 14.456 3.832 -1.604 1.00 0.39 C ATOM 123 O ALA A 9 15.665 3.729 -1.512 1.00 0.42 O ATOM 124 CB ALA A 9 13.047 3.733 -3.783 1.00 0.51 C ATOM 0 H ALA A 9 11.652 2.434 -2.285 1.00 0.49 H new ATOM 0 HA ALA A 9 14.456 2.262 -3.032 1.00 0.46 H new ATOM 0 HB1 ALA A 9 13.816 4.283 -4.326 1.00 0.51 H new ATOM 0 HB2 ALA A 9 12.547 3.043 -4.462 1.00 0.51 H new ATOM 0 HB3 ALA A 9 12.318 4.434 -3.376 1.00 0.51 H new ATOM 130 N GLU A 10 13.758 4.676 -0.886 1.00 0.31 N ATOM 131 CA GLU A 10 14.406 5.567 0.131 1.00 0.24 C ATOM 132 C GLU A 10 15.319 4.649 0.920 1.00 0.21 C ATOM 133 O GLU A 10 16.509 4.874 1.033 1.00 0.17 O ATOM 134 CB GLU A 10 13.300 6.201 1.059 1.00 0.22 C ATOM 135 CG GLU A 10 12.286 7.070 0.238 1.00 0.64 C ATOM 136 CD GLU A 10 11.213 7.727 1.141 1.00 0.49 C ATOM 137 OE1 GLU A 10 10.432 7.002 1.741 1.00 2.28 O ATOM 138 OE2 GLU A 10 11.235 8.945 1.180 1.00 2.01 O ATOM 0 H GLU A 10 12.747 4.789 -0.962 1.00 0.31 H new ATOM 0 HA GLU A 10 14.957 6.394 -0.316 1.00 0.24 H new ATOM 0 HB2 GLU A 10 12.763 5.408 1.579 1.00 0.22 H new ATOM 0 HB3 GLU A 10 13.774 6.818 1.822 1.00 0.22 H new ATOM 0 HG2 GLU A 10 12.829 7.846 -0.302 1.00 0.64 H new ATOM 0 HG3 GLU A 10 11.797 6.445 -0.509 1.00 0.64 H new ATOM 145 N GLU A 11 14.715 3.608 1.412 1.00 0.28 N ATOM 146 CA GLU A 11 15.476 2.629 2.219 1.00 0.26 C ATOM 147 C GLU A 11 16.696 2.109 1.473 1.00 0.23 C ATOM 148 O GLU A 11 17.784 2.209 1.991 1.00 0.19 O ATOM 149 CB GLU A 11 14.542 1.502 2.590 1.00 0.43 C ATOM 150 CG GLU A 11 13.391 2.203 3.332 1.00 0.48 C ATOM 151 CD GLU A 11 13.445 2.221 4.834 1.00 0.59 C ATOM 152 OE1 GLU A 11 13.117 1.224 5.450 1.00 1.87 O ATOM 153 OE2 GLU A 11 13.783 3.291 5.299 1.00 2.20 O ATOM 0 H GLU A 11 13.725 3.395 1.288 1.00 0.28 H new ATOM 0 HA GLU A 11 15.853 3.115 3.119 1.00 0.26 H new ATOM 0 HB2 GLU A 11 14.184 0.973 1.707 1.00 0.43 H new ATOM 0 HB3 GLU A 11 15.036 0.766 3.224 1.00 0.43 H new ATOM 0 HG2 GLU A 11 13.345 3.235 2.984 1.00 0.48 H new ATOM 0 HG3 GLU A 11 12.458 1.725 3.034 1.00 0.48 H new ATOM 160 N VAL A 12 16.550 1.572 0.288 1.00 0.28 N ATOM 161 CA VAL A 12 17.749 1.053 -0.464 1.00 0.32 C ATOM 162 C VAL A 12 18.802 2.159 -0.652 1.00 0.27 C ATOM 163 O VAL A 12 19.969 1.905 -0.444 1.00 0.30 O ATOM 164 CB VAL A 12 17.261 0.485 -1.834 1.00 0.41 C ATOM 165 CG1 VAL A 12 17.334 1.478 -3.010 1.00 0.26 C ATOM 166 CG2 VAL A 12 18.140 -0.728 -2.194 1.00 0.61 C ATOM 0 H VAL A 12 15.658 1.468 -0.196 1.00 0.28 H new ATOM 0 HA VAL A 12 18.231 0.258 0.105 1.00 0.32 H new ATOM 0 HB VAL A 12 16.209 0.235 -1.699 1.00 0.41 H new ATOM 0 HG11 VAL A 12 16.975 0.994 -3.918 1.00 0.26 H new ATOM 0 HG12 VAL A 12 16.713 2.347 -2.792 1.00 0.26 H new ATOM 0 HG13 VAL A 12 18.366 1.797 -3.153 1.00 0.26 H new ATOM 0 HG21 VAL A 12 17.816 -1.141 -3.149 1.00 0.61 H new ATOM 0 HG22 VAL A 12 19.181 -0.414 -2.269 1.00 0.61 H new ATOM 0 HG23 VAL A 12 18.046 -1.489 -1.419 1.00 0.61 H new ATOM 176 N LYS A 13 18.424 3.358 -1.036 1.00 0.23 N ATOM 177 CA LYS A 13 19.430 4.445 -1.212 1.00 0.22 C ATOM 178 C LYS A 13 20.283 4.571 0.074 1.00 0.19 C ATOM 179 O LYS A 13 21.389 5.061 0.056 1.00 0.37 O ATOM 180 CB LYS A 13 18.663 5.747 -1.513 1.00 0.24 C ATOM 181 CG LYS A 13 18.345 5.887 -3.044 1.00 0.56 C ATOM 182 CD LYS A 13 18.637 7.323 -3.627 1.00 1.22 C ATOM 183 CE LYS A 13 20.143 7.634 -3.696 1.00 1.39 C ATOM 184 NZ LYS A 13 20.391 8.634 -4.777 1.00 2.16 N ATOM 0 H LYS A 13 17.460 3.626 -1.234 1.00 0.23 H new ATOM 0 HA LYS A 13 20.110 4.229 -2.036 1.00 0.22 H new ATOM 0 HB2 LYS A 13 17.733 5.762 -0.944 1.00 0.24 H new ATOM 0 HB3 LYS A 13 19.253 6.602 -1.183 1.00 0.24 H new ATOM 0 HG2 LYS A 13 18.934 5.154 -3.596 1.00 0.56 H new ATOM 0 HG3 LYS A 13 17.296 5.644 -3.211 1.00 0.56 H new ATOM 0 HD2 LYS A 13 18.207 7.401 -4.625 1.00 1.22 H new ATOM 0 HD3 LYS A 13 18.142 8.071 -3.007 1.00 1.22 H new ATOM 0 HE2 LYS A 13 20.490 8.023 -2.739 1.00 1.39 H new ATOM 0 HE3 LYS A 13 20.706 6.722 -3.893 1.00 1.39 H new ATOM 0 HZ1 LYS A 13 21.408 8.847 -4.827 1.00 2.16 H new ATOM 0 HZ2 LYS A 13 20.074 8.246 -5.688 1.00 2.16 H new ATOM 0 HZ3 LYS A 13 19.865 9.507 -4.570 1.00 2.16 H new ATOM 198 N HIS A 14 19.732 4.121 1.155 1.00 0.17 N ATOM 199 CA HIS A 14 20.434 4.171 2.469 1.00 0.12 C ATOM 200 C HIS A 14 21.254 2.888 2.820 1.00 0.13 C ATOM 201 O HIS A 14 21.786 2.807 3.910 1.00 0.20 O ATOM 202 CB HIS A 14 19.338 4.473 3.536 1.00 0.12 C ATOM 203 CG HIS A 14 18.787 5.902 3.373 1.00 0.13 C ATOM 204 ND1 HIS A 14 17.640 6.236 2.872 1.00 0.12 N ATOM 205 CD2 HIS A 14 19.366 7.112 3.712 1.00 0.25 C ATOM 206 CE1 HIS A 14 17.509 7.529 2.895 1.00 0.17 C ATOM 207 NE2 HIS A 14 18.563 8.111 3.410 1.00 0.25 N ATOM 0 H HIS A 14 18.800 3.708 1.190 1.00 0.17 H new ATOM 0 HA HIS A 14 21.197 4.948 2.437 1.00 0.12 H new ATOM 0 HB2 HIS A 14 18.525 3.753 3.441 1.00 0.12 H new ATOM 0 HB3 HIS A 14 19.756 4.352 4.536 1.00 0.12 H new ATOM 0 HD1 HIS A 14 16.944 5.582 2.513 1.00 0.12 H new ATOM 0 HD2 HIS A 14 20.342 7.222 4.162 1.00 0.25 H new ATOM 0 HE1 HIS A 14 16.639 8.058 2.534 1.00 0.17 H new ATOM 215 N LEU A 15 21.362 1.919 1.944 1.00 0.18 N ATOM 216 CA LEU A 15 22.159 0.674 2.267 1.00 0.21 C ATOM 217 C LEU A 15 23.680 0.980 2.435 1.00 0.29 C ATOM 218 O LEU A 15 24.407 1.180 1.480 1.00 0.40 O ATOM 219 CB LEU A 15 21.965 -0.364 1.132 1.00 0.31 C ATOM 220 CG LEU A 15 20.631 -1.120 1.233 1.00 0.30 C ATOM 221 CD1 LEU A 15 20.548 -2.021 0.014 1.00 0.61 C ATOM 222 CD2 LEU A 15 20.594 -2.060 2.448 1.00 0.19 C ATOM 0 H LEU A 15 20.936 1.928 1.017 1.00 0.18 H new ATOM 0 HA LEU A 15 21.794 0.279 3.215 1.00 0.21 H new ATOM 0 HB2 LEU A 15 22.016 0.144 0.169 1.00 0.31 H new ATOM 0 HB3 LEU A 15 22.786 -1.081 1.158 1.00 0.31 H new ATOM 0 HG LEU A 15 19.824 -0.391 1.313 1.00 0.30 H new ATOM 0 HD11 LEU A 15 19.614 -2.582 0.039 1.00 0.61 H new ATOM 0 HD12 LEU A 15 20.582 -1.414 -0.890 1.00 0.61 H new ATOM 0 HD13 LEU A 15 21.388 -2.715 0.017 1.00 0.61 H new ATOM 0 HD21 LEU A 15 19.633 -2.574 2.481 1.00 0.19 H new ATOM 0 HD22 LEU A 15 21.396 -2.794 2.365 1.00 0.19 H new ATOM 0 HD23 LEU A 15 20.726 -1.480 3.361 1.00 0.19 H new ATOM 234 N LYS A 16 24.146 1.002 3.653 1.00 0.29 N ATOM 235 CA LYS A 16 25.603 1.292 3.915 1.00 0.31 C ATOM 236 C LYS A 16 26.633 0.340 3.239 1.00 0.25 C ATOM 237 O LYS A 16 27.831 0.517 3.380 1.00 0.26 O ATOM 238 CB LYS A 16 25.790 1.281 5.463 1.00 0.37 C ATOM 239 CG LYS A 16 24.958 2.401 6.155 1.00 0.63 C ATOM 240 CD LYS A 16 25.461 3.803 5.689 1.00 1.92 C ATOM 241 CE LYS A 16 24.697 4.930 6.386 1.00 3.57 C ATOM 242 NZ LYS A 16 25.137 5.007 7.823 1.00 3.76 N ATOM 0 H LYS A 16 23.586 0.832 4.488 1.00 0.29 H new ATOM 0 HA LYS A 16 25.822 2.257 3.457 1.00 0.31 H new ATOM 0 HB2 LYS A 16 25.491 0.310 5.858 1.00 0.37 H new ATOM 0 HB3 LYS A 16 26.845 1.412 5.702 1.00 0.37 H new ATOM 0 HG2 LYS A 16 23.902 2.285 5.911 1.00 0.63 H new ATOM 0 HG3 LYS A 16 25.046 2.315 7.238 1.00 0.63 H new ATOM 0 HD2 LYS A 16 26.526 3.898 5.901 1.00 1.92 H new ATOM 0 HD3 LYS A 16 25.341 3.894 4.609 1.00 1.92 H new ATOM 0 HE2 LYS A 16 24.885 5.879 5.884 1.00 3.57 H new ATOM 0 HE3 LYS A 16 23.624 4.747 6.330 1.00 3.57 H new ATOM 0 HZ1 LYS A 16 24.753 5.870 8.258 1.00 3.76 H new ATOM 0 HZ2 LYS A 16 24.787 4.174 8.338 1.00 3.76 H new ATOM 0 HZ3 LYS A 16 26.176 5.030 7.867 1.00 3.76 H new ATOM 256 N THR A 17 26.183 -0.651 2.520 1.00 0.18 N ATOM 257 CA THR A 17 27.153 -1.589 1.864 1.00 0.14 C ATOM 258 C THR A 17 26.875 -2.084 0.438 1.00 0.25 C ATOM 259 O THR A 17 26.371 -3.168 0.234 1.00 0.32 O ATOM 260 CB THR A 17 27.318 -2.775 2.830 1.00 0.33 C ATOM 261 OG1 THR A 17 28.019 -2.224 3.944 1.00 0.45 O ATOM 262 CG2 THR A 17 28.345 -3.787 2.344 1.00 0.29 C ATOM 0 H THR A 17 25.197 -0.855 2.356 1.00 0.18 H new ATOM 0 HA THR A 17 28.056 -1.002 1.694 1.00 0.14 H new ATOM 0 HB THR A 17 26.339 -3.230 2.984 1.00 0.33 H new ATOM 0 HG1 THR A 17 28.166 -2.922 4.616 1.00 0.45 H new ATOM 0 HG21 THR A 17 28.421 -4.602 3.063 1.00 0.29 H new ATOM 0 HG22 THR A 17 28.035 -4.184 1.377 1.00 0.29 H new ATOM 0 HG23 THR A 17 29.315 -3.301 2.243 1.00 0.29 H new ATOM 270 N LYS A 18 27.213 -1.216 -0.471 1.00 0.28 N ATOM 271 CA LYS A 18 27.109 -1.369 -1.950 1.00 0.27 C ATOM 272 C LYS A 18 26.915 -2.867 -2.385 1.00 0.27 C ATOM 273 O LYS A 18 27.870 -3.549 -2.710 1.00 0.42 O ATOM 274 CB LYS A 18 28.419 -0.739 -2.481 1.00 0.51 C ATOM 275 CG LYS A 18 28.927 0.388 -1.551 1.00 1.82 C ATOM 276 CD LYS A 18 29.949 1.300 -2.245 1.00 2.78 C ATOM 277 CE LYS A 18 30.268 2.490 -1.322 1.00 4.67 C ATOM 278 NZ LYS A 18 28.985 3.205 -0.991 1.00 5.19 N ATOM 0 H LYS A 18 27.599 -0.308 -0.212 1.00 0.28 H new ATOM 0 HA LYS A 18 26.229 -0.877 -2.363 1.00 0.27 H new ATOM 0 HB2 LYS A 18 29.184 -1.510 -2.570 1.00 0.51 H new ATOM 0 HB3 LYS A 18 28.252 -0.339 -3.481 1.00 0.51 H new ATOM 0 HG2 LYS A 18 28.081 0.986 -1.213 1.00 1.82 H new ATOM 0 HG3 LYS A 18 29.381 -0.053 -0.664 1.00 1.82 H new ATOM 0 HD2 LYS A 18 30.859 0.743 -2.469 1.00 2.78 H new ATOM 0 HD3 LYS A 18 29.551 1.657 -3.195 1.00 2.78 H new ATOM 0 HE2 LYS A 18 30.752 2.141 -0.410 1.00 4.67 H new ATOM 0 HE3 LYS A 18 30.964 3.171 -1.811 1.00 4.67 H new ATOM 0 HZ1 LYS A 18 29.186 4.207 -0.799 1.00 5.19 H new ATOM 0 HZ2 LYS A 18 28.329 3.131 -1.794 1.00 5.19 H new ATOM 0 HZ3 LYS A 18 28.553 2.772 -0.150 1.00 5.19 H new ATOM 292 N PRO A 19 25.694 -3.348 -2.370 1.00 0.15 N ATOM 293 CA PRO A 19 25.376 -4.757 -2.754 1.00 0.17 C ATOM 294 C PRO A 19 25.941 -5.336 -4.068 1.00 0.18 C ATOM 295 O PRO A 19 26.381 -4.639 -4.957 1.00 0.19 O ATOM 296 CB PRO A 19 23.842 -4.787 -2.707 1.00 0.15 C ATOM 297 CG PRO A 19 23.543 -3.742 -1.597 1.00 0.21 C ATOM 298 CD PRO A 19 24.480 -2.591 -1.965 1.00 0.13 C ATOM 0 HA PRO A 19 25.890 -5.427 -2.065 1.00 0.17 H new ATOM 0 HB2 PRO A 19 23.397 -4.509 -3.662 1.00 0.15 H new ATOM 0 HB3 PRO A 19 23.459 -5.775 -2.453 1.00 0.15 H new ATOM 0 HG2 PRO A 19 22.498 -3.432 -1.602 1.00 0.21 H new ATOM 0 HG3 PRO A 19 23.754 -4.135 -0.602 1.00 0.21 H new ATOM 0 HD2 PRO A 19 24.085 -1.978 -2.775 1.00 0.13 H new ATOM 0 HD3 PRO A 19 24.669 -1.925 -1.123 1.00 0.13 H new ATOM 306 N ALA A 20 25.890 -6.639 -4.128 1.00 0.15 N ATOM 307 CA ALA A 20 26.393 -7.371 -5.341 1.00 0.12 C ATOM 308 C ALA A 20 25.731 -6.848 -6.663 1.00 0.15 C ATOM 309 O ALA A 20 24.560 -6.500 -6.666 1.00 0.12 O ATOM 310 CB ALA A 20 26.096 -8.860 -5.100 1.00 0.09 C ATOM 0 H ALA A 20 25.521 -7.237 -3.389 1.00 0.15 H new ATOM 0 HA ALA A 20 27.462 -7.204 -5.477 1.00 0.12 H new ATOM 0 HB1 ALA A 20 26.442 -9.443 -5.954 1.00 0.09 H new ATOM 0 HB2 ALA A 20 26.613 -9.193 -4.200 1.00 0.09 H new ATOM 0 HB3 ALA A 20 25.022 -9.001 -4.975 1.00 0.09 H new ATOM 316 N ASP A 21 26.472 -6.787 -7.751 1.00 0.27 N ATOM 317 CA ASP A 21 25.859 -6.292 -9.025 1.00 0.36 C ATOM 318 C ASP A 21 24.508 -6.951 -9.267 1.00 0.33 C ATOM 319 O ASP A 21 23.554 -6.223 -9.326 1.00 0.31 O ATOM 320 CB ASP A 21 26.752 -6.593 -10.269 1.00 0.61 C ATOM 321 CG ASP A 21 28.194 -6.181 -10.060 1.00 0.85 C ATOM 322 OD1 ASP A 21 28.781 -6.797 -9.187 1.00 1.14 O ATOM 323 OD2 ASP A 21 28.607 -5.291 -10.782 1.00 0.80 O ATOM 0 H ASP A 21 27.455 -7.054 -7.809 1.00 0.27 H new ATOM 0 HA ASP A 21 25.753 -5.214 -8.906 1.00 0.36 H new ATOM 0 HB2 ASP A 21 26.711 -7.659 -10.493 1.00 0.61 H new ATOM 0 HB3 ASP A 21 26.350 -6.069 -11.136 1.00 0.61 H new ATOM 328 N GLU A 22 24.389 -8.248 -9.400 1.00 0.45 N ATOM 329 CA GLU A 22 23.026 -8.847 -9.640 1.00 0.54 C ATOM 330 C GLU A 22 21.904 -8.123 -8.845 1.00 0.46 C ATOM 331 O GLU A 22 20.913 -7.651 -9.373 1.00 0.88 O ATOM 332 CB GLU A 22 23.005 -10.344 -9.212 1.00 0.79 C ATOM 333 CG GLU A 22 24.072 -11.264 -9.888 1.00 0.82 C ATOM 334 CD GLU A 22 23.907 -12.746 -9.445 1.00 1.26 C ATOM 335 OE1 GLU A 22 22.942 -13.050 -8.755 1.00 3.37 O ATOM 336 OE2 GLU A 22 24.778 -13.508 -9.838 1.00 1.32 O ATOM 0 H GLU A 22 25.159 -8.915 -9.355 1.00 0.45 H new ATOM 0 HA GLU A 22 22.836 -8.736 -10.708 1.00 0.54 H new ATOM 0 HB2 GLU A 22 23.142 -10.395 -8.132 1.00 0.79 H new ATOM 0 HB3 GLU A 22 22.016 -10.749 -9.427 1.00 0.79 H new ATOM 0 HG2 GLU A 22 23.980 -11.194 -10.972 1.00 0.82 H new ATOM 0 HG3 GLU A 22 25.072 -10.915 -9.630 1.00 0.82 H new ATOM 343 N GLU A 23 22.109 -8.055 -7.556 1.00 0.57 N ATOM 344 CA GLU A 23 21.113 -7.393 -6.677 1.00 0.47 C ATOM 345 C GLU A 23 20.920 -5.953 -7.148 1.00 0.43 C ATOM 346 O GLU A 23 19.795 -5.517 -7.360 1.00 0.45 O ATOM 347 CB GLU A 23 21.642 -7.489 -5.200 1.00 0.44 C ATOM 348 CG GLU A 23 21.931 -8.970 -4.809 1.00 0.37 C ATOM 349 CD GLU A 23 21.849 -9.091 -3.296 1.00 0.35 C ATOM 350 OE1 GLU A 23 20.697 -9.058 -2.884 1.00 2.27 O ATOM 351 OE2 GLU A 23 22.879 -9.190 -2.650 1.00 2.13 O ATOM 0 H GLU A 23 22.927 -8.432 -7.077 1.00 0.57 H new ATOM 0 HA GLU A 23 20.137 -7.876 -6.720 1.00 0.47 H new ATOM 0 HB2 GLU A 23 22.551 -6.897 -5.096 1.00 0.44 H new ATOM 0 HB3 GLU A 23 20.906 -7.065 -4.517 1.00 0.44 H new ATOM 0 HG2 GLU A 23 21.209 -9.635 -5.282 1.00 0.37 H new ATOM 0 HG3 GLU A 23 22.918 -9.269 -5.161 1.00 0.37 H new ATOM 358 N MET A 24 22.028 -5.271 -7.290 1.00 0.40 N ATOM 359 CA MET A 24 22.021 -3.843 -7.760 1.00 0.40 C ATOM 360 C MET A 24 21.202 -3.796 -9.074 1.00 0.37 C ATOM 361 O MET A 24 20.267 -3.049 -9.193 1.00 0.43 O ATOM 362 CB MET A 24 23.513 -3.453 -7.919 1.00 0.36 C ATOM 363 CG MET A 24 24.165 -3.290 -6.524 1.00 0.27 C ATOM 364 SD MET A 24 23.546 -1.945 -5.483 1.00 0.46 S ATOM 365 CE MET A 24 24.596 -0.630 -6.152 1.00 0.93 C ATOM 0 H MET A 24 22.957 -5.647 -7.098 1.00 0.40 H new ATOM 0 HA MET A 24 21.554 -3.131 -7.080 1.00 0.40 H new ATOM 0 HB2 MET A 24 24.039 -4.218 -8.489 1.00 0.36 H new ATOM 0 HB3 MET A 24 23.597 -2.523 -8.481 1.00 0.36 H new ATOM 0 HG2 MET A 24 24.039 -4.226 -5.979 1.00 0.27 H new ATOM 0 HG3 MET A 24 25.236 -3.145 -6.665 1.00 0.27 H new ATOM 0 HE1 MET A 24 24.375 0.307 -5.641 1.00 0.93 H new ATOM 0 HE2 MET A 24 25.644 -0.888 -6.000 1.00 0.93 H new ATOM 0 HE3 MET A 24 24.402 -0.516 -7.219 1.00 0.93 H new ATOM 375 N LEU A 25 21.607 -4.596 -10.017 1.00 0.33 N ATOM 376 CA LEU A 25 21.022 -4.787 -11.362 1.00 0.36 C ATOM 377 C LEU A 25 19.493 -4.962 -11.258 1.00 0.40 C ATOM 378 O LEU A 25 18.718 -4.324 -11.948 1.00 0.50 O ATOM 379 CB LEU A 25 21.752 -6.032 -11.937 1.00 0.29 C ATOM 380 CG LEU A 25 23.205 -5.784 -12.411 1.00 0.35 C ATOM 381 CD1 LEU A 25 23.728 -7.046 -13.089 1.00 0.33 C ATOM 382 CD2 LEU A 25 23.262 -4.686 -13.469 1.00 0.42 C ATOM 0 H LEU A 25 22.422 -5.193 -9.878 1.00 0.33 H new ATOM 0 HA LEU A 25 21.159 -3.931 -12.023 1.00 0.36 H new ATOM 0 HB2 LEU A 25 21.764 -6.811 -11.174 1.00 0.29 H new ATOM 0 HB3 LEU A 25 21.174 -6.417 -12.777 1.00 0.29 H new ATOM 0 HG LEU A 25 23.792 -5.502 -11.537 1.00 0.35 H new ATOM 0 HD11 LEU A 25 24.751 -6.880 -13.426 1.00 0.33 H new ATOM 0 HD12 LEU A 25 23.709 -7.874 -12.381 1.00 0.33 H new ATOM 0 HD13 LEU A 25 23.098 -7.287 -13.945 1.00 0.33 H new ATOM 0 HD21 LEU A 25 24.295 -4.535 -13.782 1.00 0.42 H new ATOM 0 HD22 LEU A 25 22.661 -4.979 -14.330 1.00 0.42 H new ATOM 0 HD23 LEU A 25 22.870 -3.758 -13.052 1.00 0.42 H new ATOM 394 N PHE A 26 19.108 -5.831 -10.362 1.00 0.39 N ATOM 395 CA PHE A 26 17.662 -6.106 -10.152 1.00 0.41 C ATOM 396 C PHE A 26 17.019 -4.817 -9.613 1.00 0.36 C ATOM 397 O PHE A 26 16.163 -4.251 -10.268 1.00 0.32 O ATOM 398 CB PHE A 26 17.568 -7.275 -9.163 1.00 0.40 C ATOM 399 CG PHE A 26 16.090 -7.596 -8.989 1.00 0.40 C ATOM 400 CD1 PHE A 26 15.309 -6.803 -8.167 1.00 2.40 C ATOM 401 CD2 PHE A 26 15.518 -8.658 -9.658 1.00 2.44 C ATOM 402 CE1 PHE A 26 13.977 -7.066 -8.020 1.00 2.46 C ATOM 403 CE2 PHE A 26 14.179 -8.919 -9.506 1.00 2.37 C ATOM 404 CZ PHE A 26 13.422 -8.120 -8.689 1.00 0.43 C ATOM 0 H PHE A 26 19.739 -6.364 -9.764 1.00 0.39 H new ATOM 0 HA PHE A 26 17.135 -6.385 -11.064 1.00 0.41 H new ATOM 0 HB2 PHE A 26 18.109 -8.143 -9.540 1.00 0.40 H new ATOM 0 HB3 PHE A 26 18.019 -7.008 -8.207 1.00 0.40 H new ATOM 0 HD1 PHE A 26 15.755 -5.973 -7.639 1.00 2.40 H new ATOM 0 HD2 PHE A 26 16.122 -9.282 -10.300 1.00 2.44 H new ATOM 0 HE1 PHE A 26 13.367 -6.446 -7.380 1.00 2.46 H new ATOM 0 HE2 PHE A 26 13.725 -9.749 -10.027 1.00 2.37 H new ATOM 0 HZ PHE A 26 12.369 -8.327 -8.572 1.00 0.43 H new ATOM 414 N ILE A 27 17.460 -4.383 -8.454 1.00 0.37 N ATOM 415 CA ILE A 27 16.887 -3.124 -7.857 1.00 0.31 C ATOM 416 C ILE A 27 16.837 -2.044 -8.938 1.00 0.38 C ATOM 417 O ILE A 27 15.844 -1.384 -9.122 1.00 0.59 O ATOM 418 CB ILE A 27 17.786 -2.718 -6.671 1.00 0.26 C ATOM 419 CG1 ILE A 27 17.340 -3.456 -5.406 1.00 0.16 C ATOM 420 CG2 ILE A 27 17.764 -1.224 -6.364 1.00 0.28 C ATOM 421 CD1 ILE A 27 15.894 -3.099 -4.927 1.00 0.09 C ATOM 0 H ILE A 27 18.184 -4.838 -7.898 1.00 0.37 H new ATOM 0 HA ILE A 27 15.871 -3.270 -7.492 1.00 0.31 H new ATOM 0 HB ILE A 27 18.801 -2.985 -6.966 1.00 0.26 H new ATOM 0 HG12 ILE A 27 17.395 -4.529 -5.587 1.00 0.16 H new ATOM 0 HG13 ILE A 27 18.042 -3.232 -4.603 1.00 0.16 H new ATOM 0 HG21 ILE A 27 18.420 -1.017 -5.518 1.00 0.28 H new ATOM 0 HG22 ILE A 27 18.109 -0.668 -7.236 1.00 0.28 H new ATOM 0 HG23 ILE A 27 16.747 -0.918 -6.118 1.00 0.28 H new ATOM 0 HD11 ILE A 27 15.659 -3.666 -4.026 1.00 0.09 H new ATOM 0 HD12 ILE A 27 15.835 -2.032 -4.710 1.00 0.09 H new ATOM 0 HD13 ILE A 27 15.179 -3.350 -5.710 1.00 0.09 H new ATOM 433 N TYR A 28 17.926 -1.888 -9.624 1.00 0.23 N ATOM 434 CA TYR A 28 18.089 -0.902 -10.728 1.00 0.25 C ATOM 435 C TYR A 28 17.010 -1.037 -11.813 1.00 0.16 C ATOM 436 O TYR A 28 16.193 -0.156 -11.972 1.00 0.13 O ATOM 437 CB TYR A 28 19.471 -1.126 -11.350 1.00 0.29 C ATOM 438 CG TYR A 28 19.734 -0.112 -12.460 1.00 0.39 C ATOM 439 CD1 TYR A 28 19.015 -0.095 -13.650 1.00 0.55 C ATOM 440 CD2 TYR A 28 20.716 0.823 -12.262 1.00 0.72 C ATOM 441 CE1 TYR A 28 19.282 0.844 -14.611 1.00 0.61 C ATOM 442 CE2 TYR A 28 20.967 1.751 -13.230 1.00 0.80 C ATOM 443 CZ TYR A 28 20.252 1.758 -14.398 1.00 0.60 C ATOM 444 OH TYR A 28 20.523 2.715 -15.333 1.00 0.64 O ATOM 0 H TYR A 28 18.766 -2.441 -9.453 1.00 0.23 H new ATOM 0 HA TYR A 28 17.988 0.101 -10.313 1.00 0.25 H new ATOM 0 HB2 TYR A 28 20.239 -1.039 -10.582 1.00 0.29 H new ATOM 0 HB3 TYR A 28 19.535 -2.137 -11.752 1.00 0.29 H new ATOM 0 HD1 TYR A 28 18.240 -0.828 -13.818 1.00 0.55 H new ATOM 0 HD2 TYR A 28 21.288 0.825 -11.346 1.00 0.72 H new ATOM 0 HE1 TYR A 28 18.720 0.853 -15.533 1.00 0.61 H new ATOM 0 HE2 TYR A 28 21.739 2.489 -13.073 1.00 0.80 H new ATOM 0 HH TYR A 28 21.133 3.381 -14.952 1.00 0.64 H new ATOM 454 N SER A 29 17.068 -2.138 -12.519 1.00 0.17 N ATOM 455 CA SER A 29 16.101 -2.441 -13.627 1.00 0.18 C ATOM 456 C SER A 29 14.698 -2.186 -13.156 1.00 0.29 C ATOM 457 O SER A 29 13.953 -1.465 -13.777 1.00 0.37 O ATOM 458 CB SER A 29 16.260 -3.899 -14.042 1.00 0.18 C ATOM 459 OG SER A 29 16.107 -4.564 -12.794 1.00 0.39 O ATOM 0 H SER A 29 17.768 -2.865 -12.370 1.00 0.17 H new ATOM 0 HA SER A 29 16.305 -1.798 -14.483 1.00 0.18 H new ATOM 0 HB2 SER A 29 15.504 -4.205 -14.766 1.00 0.18 H new ATOM 0 HB3 SER A 29 17.232 -4.094 -14.495 1.00 0.18 H new ATOM 0 HG SER A 29 16.974 -4.610 -12.339 1.00 0.39 H new ATOM 465 N HIS A 30 14.422 -2.787 -12.036 1.00 0.30 N ATOM 466 CA HIS A 30 13.094 -2.657 -11.423 1.00 0.42 C ATOM 467 C HIS A 30 12.810 -1.207 -11.034 1.00 0.47 C ATOM 468 O HIS A 30 11.839 -0.705 -11.537 1.00 0.79 O ATOM 469 CB HIS A 30 13.088 -3.630 -10.249 1.00 0.46 C ATOM 470 CG HIS A 30 12.955 -5.015 -10.882 1.00 0.39 C ATOM 471 ND1 HIS A 30 13.811 -5.575 -11.677 1.00 2.43 N ATOM 472 CD2 HIS A 30 11.932 -5.934 -10.773 1.00 1.79 C ATOM 473 CE1 HIS A 30 13.366 -6.741 -12.037 1.00 1.87 C ATOM 474 NE2 HIS A 30 12.200 -7.002 -11.496 1.00 0.73 N ATOM 0 H HIS A 30 15.078 -3.371 -11.518 1.00 0.30 H new ATOM 0 HA HIS A 30 12.286 -2.909 -12.110 1.00 0.42 H new ATOM 0 HB2 HIS A 30 14.005 -3.550 -9.665 1.00 0.46 H new ATOM 0 HB3 HIS A 30 12.260 -3.425 -9.571 1.00 0.46 H new ATOM 0 HD1 HIS A 30 14.696 -5.164 -11.974 1.00 2.43 H new ATOM 0 HD2 HIS A 30 11.040 -5.797 -10.180 1.00 1.79 H new ATOM 0 HE1 HIS A 30 13.891 -7.413 -12.700 1.00 1.87 H new ATOM 482 N TYR A 31 13.557 -0.525 -10.213 1.00 0.28 N ATOM 483 CA TYR A 31 13.217 0.894 -9.884 1.00 0.34 C ATOM 484 C TYR A 31 13.072 1.683 -11.187 1.00 0.33 C ATOM 485 O TYR A 31 12.174 2.490 -11.301 1.00 0.47 O ATOM 486 CB TYR A 31 14.325 1.437 -9.012 1.00 0.24 C ATOM 487 CG TYR A 31 14.002 2.853 -8.500 1.00 0.25 C ATOM 488 CD1 TYR A 31 13.099 3.076 -7.475 1.00 0.15 C ATOM 489 CD2 TYR A 31 14.630 3.931 -9.070 1.00 0.39 C ATOM 490 CE1 TYR A 31 12.834 4.367 -7.033 1.00 0.17 C ATOM 491 CE2 TYR A 31 14.367 5.212 -8.629 1.00 0.42 C ATOM 492 CZ TYR A 31 13.470 5.447 -7.609 1.00 0.30 C ATOM 493 OH TYR A 31 13.243 6.752 -7.209 1.00 0.33 O ATOM 0 H TYR A 31 14.392 -0.887 -9.752 1.00 0.28 H new ATOM 0 HA TYR A 31 12.273 0.974 -9.345 1.00 0.34 H new ATOM 0 HB2 TYR A 31 14.481 0.770 -8.164 1.00 0.24 H new ATOM 0 HB3 TYR A 31 15.257 1.458 -9.577 1.00 0.24 H new ATOM 0 HD1 TYR A 31 12.595 2.239 -7.014 1.00 0.15 H new ATOM 0 HD2 TYR A 31 15.337 3.776 -9.872 1.00 0.39 H new ATOM 0 HE1 TYR A 31 12.126 4.525 -6.233 1.00 0.17 H new ATOM 0 HE2 TYR A 31 14.874 6.046 -9.092 1.00 0.42 H new ATOM 0 HH TYR A 31 13.795 7.359 -7.745 1.00 0.33 H new ATOM 503 N LYS A 32 13.953 1.468 -12.131 1.00 0.28 N ATOM 504 CA LYS A 32 13.841 2.192 -13.428 1.00 0.39 C ATOM 505 C LYS A 32 12.457 1.892 -14.061 1.00 0.50 C ATOM 506 O LYS A 32 11.601 2.737 -14.192 1.00 0.51 O ATOM 507 CB LYS A 32 14.965 1.671 -14.284 1.00 0.44 C ATOM 508 CG LYS A 32 16.148 2.633 -14.408 1.00 0.91 C ATOM 509 CD LYS A 32 16.592 3.424 -13.163 1.00 0.61 C ATOM 510 CE LYS A 32 17.355 2.593 -12.180 1.00 0.71 C ATOM 511 NZ LYS A 32 18.042 3.592 -11.325 1.00 0.74 N ATOM 0 H LYS A 32 14.741 0.825 -12.058 1.00 0.28 H new ATOM 0 HA LYS A 32 13.915 3.274 -13.316 1.00 0.39 H new ATOM 0 HB2 LYS A 32 15.319 0.728 -13.867 1.00 0.44 H new ATOM 0 HB3 LYS A 32 14.579 1.455 -15.280 1.00 0.44 H new ATOM 0 HG2 LYS A 32 17.006 2.059 -14.758 1.00 0.91 H new ATOM 0 HG3 LYS A 32 15.907 3.354 -15.189 1.00 0.91 H new ATOM 0 HD2 LYS A 32 17.211 4.265 -13.476 1.00 0.61 H new ATOM 0 HD3 LYS A 32 15.713 3.841 -12.672 1.00 0.61 H new ATOM 0 HE2 LYS A 32 16.691 1.956 -11.595 1.00 0.71 H new ATOM 0 HE3 LYS A 32 18.068 1.937 -12.680 1.00 0.71 H new ATOM 0 HZ1 LYS A 32 18.605 3.101 -10.602 1.00 0.74 H new ATOM 0 HZ2 LYS A 32 18.668 4.179 -11.912 1.00 0.74 H new ATOM 0 HZ3 LYS A 32 17.335 4.197 -10.861 1.00 0.74 H new ATOM 525 N GLN A 33 12.276 0.662 -14.445 1.00 0.61 N ATOM 526 CA GLN A 33 11.003 0.230 -15.064 1.00 0.77 C ATOM 527 C GLN A 33 9.780 0.601 -14.167 1.00 0.69 C ATOM 528 O GLN A 33 8.857 1.246 -14.615 1.00 0.64 O ATOM 529 CB GLN A 33 11.306 -1.284 -15.343 1.00 1.18 C ATOM 530 CG GLN A 33 10.262 -2.218 -14.914 1.00 0.66 C ATOM 531 CD GLN A 33 9.022 -1.979 -15.709 1.00 0.35 C ATOM 532 OE1 GLN A 33 8.034 -1.528 -15.187 1.00 0.26 O ATOM 533 NE2 GLN A 33 8.985 -2.251 -16.974 1.00 0.67 N ATOM 0 H GLN A 33 12.975 -0.075 -14.352 1.00 0.61 H new ATOM 0 HA GLN A 33 10.697 0.723 -15.987 1.00 0.77 H new ATOM 0 HB2 GLN A 33 11.470 -1.414 -16.413 1.00 1.18 H new ATOM 0 HB3 GLN A 33 12.237 -1.550 -14.843 1.00 1.18 H new ATOM 0 HG2 GLN A 33 10.601 -3.245 -15.049 1.00 0.66 H new ATOM 0 HG3 GLN A 33 10.056 -2.087 -13.852 1.00 0.66 H new ATOM 0 HE21 GLN A 33 9.809 -2.634 -17.438 1.00 0.67 H new ATOM 0 HE22 GLN A 33 8.132 -2.083 -17.507 1.00 0.67 H new ATOM 542 N ALA A 34 9.787 0.217 -12.927 1.00 0.71 N ATOM 543 CA ALA A 34 8.677 0.508 -11.958 1.00 0.69 C ATOM 544 C ALA A 34 8.282 1.997 -11.831 1.00 0.52 C ATOM 545 O ALA A 34 7.169 2.296 -11.441 1.00 0.56 O ATOM 546 CB ALA A 34 9.110 -0.032 -10.606 1.00 0.70 C ATOM 0 H ALA A 34 10.554 -0.315 -12.517 1.00 0.71 H new ATOM 0 HA ALA A 34 7.778 0.024 -12.340 1.00 0.69 H new ATOM 0 HB1 ALA A 34 8.329 0.160 -9.870 1.00 0.70 H new ATOM 0 HB2 ALA A 34 9.282 -1.106 -10.681 1.00 0.70 H new ATOM 0 HB3 ALA A 34 10.030 0.462 -10.295 1.00 0.70 H new ATOM 552 N THR A 35 9.178 2.887 -12.163 1.00 0.37 N ATOM 553 CA THR A 35 8.840 4.358 -12.051 1.00 0.26 C ATOM 554 C THR A 35 8.732 4.972 -13.437 1.00 0.18 C ATOM 555 O THR A 35 7.822 5.732 -13.709 1.00 0.13 O ATOM 556 CB THR A 35 9.927 5.128 -11.253 1.00 0.27 C ATOM 557 OG1 THR A 35 11.135 4.920 -11.950 1.00 0.24 O ATOM 558 CG2 THR A 35 10.168 4.505 -9.897 1.00 0.37 C ATOM 0 H THR A 35 10.117 2.677 -12.502 1.00 0.37 H new ATOM 0 HA THR A 35 7.889 4.438 -11.524 1.00 0.26 H new ATOM 0 HB THR A 35 9.616 6.167 -11.144 1.00 0.27 H new ATOM 0 HG1 THR A 35 11.430 3.994 -11.825 1.00 0.24 H new ATOM 0 HG21 THR A 35 10.935 5.071 -9.368 1.00 0.37 H new ATOM 0 HG22 THR A 35 9.243 4.520 -9.320 1.00 0.37 H new ATOM 0 HG23 THR A 35 10.500 3.475 -10.024 1.00 0.37 H new ATOM 566 N VAL A 36 9.648 4.615 -14.287 1.00 0.20 N ATOM 567 CA VAL A 36 9.680 5.136 -15.691 1.00 0.25 C ATOM 568 C VAL A 36 8.760 4.247 -16.579 1.00 0.44 C ATOM 569 O VAL A 36 7.695 4.654 -17.010 1.00 0.61 O ATOM 570 CB VAL A 36 11.193 5.093 -16.211 1.00 0.28 C ATOM 571 CG1 VAL A 36 11.291 5.721 -17.623 1.00 0.41 C ATOM 572 CG2 VAL A 36 12.174 5.843 -15.276 1.00 0.28 C ATOM 0 H VAL A 36 10.402 3.964 -14.066 1.00 0.20 H new ATOM 0 HA VAL A 36 9.318 6.163 -15.737 1.00 0.25 H new ATOM 0 HB VAL A 36 11.478 4.041 -16.230 1.00 0.28 H new ATOM 0 HG11 VAL A 36 12.325 5.686 -17.966 1.00 0.41 H new ATOM 0 HG12 VAL A 36 10.660 5.162 -18.314 1.00 0.41 H new ATOM 0 HG13 VAL A 36 10.957 6.758 -17.584 1.00 0.41 H new ATOM 0 HG21 VAL A 36 13.184 5.779 -15.681 1.00 0.28 H new ATOM 0 HG22 VAL A 36 11.878 6.890 -15.203 1.00 0.28 H new ATOM 0 HG23 VAL A 36 12.151 5.389 -14.285 1.00 0.28 H new ATOM 582 N GLY A 37 9.225 3.039 -16.754 1.00 0.67 N ATOM 583 CA GLY A 37 8.579 1.949 -17.579 1.00 0.76 C ATOM 584 C GLY A 37 9.628 1.483 -18.599 1.00 0.68 C ATOM 585 O GLY A 37 10.534 0.770 -18.223 1.00 0.58 O ATOM 0 H GLY A 37 10.099 2.734 -16.325 1.00 0.67 H new ATOM 0 HA2 GLY A 37 8.262 1.121 -16.945 1.00 0.76 H new ATOM 0 HA3 GLY A 37 7.688 2.323 -18.084 1.00 0.76 H new ATOM 589 N ASP A 38 9.485 1.872 -19.833 1.00 0.77 N ATOM 590 CA ASP A 38 10.458 1.489 -20.908 1.00 0.77 C ATOM 591 C ASP A 38 11.819 2.219 -20.853 1.00 0.91 C ATOM 592 O ASP A 38 11.937 3.306 -20.311 1.00 1.52 O ATOM 593 CB ASP A 38 9.732 1.761 -22.233 1.00 0.76 C ATOM 594 CG ASP A 38 8.906 0.567 -22.676 1.00 1.56 C ATOM 595 OD1 ASP A 38 8.321 -0.100 -21.845 1.00 2.49 O ATOM 596 OD2 ASP A 38 8.928 0.405 -23.876 1.00 3.20 O ATOM 0 H ASP A 38 8.714 2.456 -20.156 1.00 0.77 H new ATOM 0 HA ASP A 38 10.737 0.443 -20.780 1.00 0.77 H new ATOM 0 HB2 ASP A 38 9.084 2.630 -22.121 1.00 0.76 H new ATOM 0 HB3 ASP A 38 10.462 2.005 -23.005 1.00 0.76 H new ATOM 601 N ILE A 39 12.816 1.604 -21.434 1.00 0.79 N ATOM 602 CA ILE A 39 14.154 2.245 -21.416 1.00 0.87 C ATOM 603 C ILE A 39 14.208 3.443 -22.390 1.00 0.91 C ATOM 604 O ILE A 39 14.588 3.424 -23.543 1.00 1.57 O ATOM 605 CB ILE A 39 15.177 1.086 -21.709 1.00 0.84 C ATOM 606 CG1 ILE A 39 16.546 1.580 -21.200 1.00 0.69 C ATOM 607 CG2 ILE A 39 15.303 0.654 -23.196 1.00 0.98 C ATOM 608 CD1 ILE A 39 17.263 0.368 -20.581 1.00 0.48 C ATOM 0 H ILE A 39 12.760 0.704 -21.910 1.00 0.79 H new ATOM 0 HA ILE A 39 14.405 2.700 -20.458 1.00 0.87 H new ATOM 0 HB ILE A 39 14.811 0.192 -21.203 1.00 0.84 H new ATOM 0 HG12 ILE A 39 17.133 1.998 -22.018 1.00 0.69 H new ATOM 0 HG13 ILE A 39 16.420 2.371 -20.461 1.00 0.69 H new ATOM 0 HG21 ILE A 39 16.034 -0.150 -23.281 1.00 0.98 H new ATOM 0 HG22 ILE A 39 14.336 0.304 -23.556 1.00 0.98 H new ATOM 0 HG23 ILE A 39 15.627 1.504 -23.796 1.00 0.98 H new ATOM 0 HD11 ILE A 39 18.240 0.675 -20.207 1.00 0.48 H new ATOM 0 HD12 ILE A 39 16.667 -0.026 -19.758 1.00 0.48 H new ATOM 0 HD13 ILE A 39 17.391 -0.405 -21.339 1.00 0.48 H new ATOM 620 N ASN A 40 13.763 4.510 -21.779 1.00 0.81 N ATOM 621 CA ASN A 40 13.653 5.873 -22.377 1.00 1.03 C ATOM 622 C ASN A 40 14.901 6.689 -22.013 1.00 1.06 C ATOM 623 O ASN A 40 14.873 7.863 -21.698 1.00 1.26 O ATOM 624 CB ASN A 40 12.354 6.504 -21.822 1.00 1.42 C ATOM 625 CG ASN A 40 11.161 5.852 -22.500 1.00 3.93 C ATOM 626 OD1 ASN A 40 10.793 6.190 -23.600 1.00 5.88 O ATOM 627 ND2 ASN A 40 10.498 4.907 -21.929 1.00 4.57 N ATOM 0 H ASN A 40 13.447 4.483 -20.810 1.00 0.81 H new ATOM 0 HA ASN A 40 13.601 5.844 -23.465 1.00 1.03 H new ATOM 0 HB2 ASN A 40 12.298 6.363 -20.743 1.00 1.42 H new ATOM 0 HB3 ASN A 40 12.350 7.579 -22.003 1.00 1.42 H new ATOM 0 HD21 ASN A 40 9.703 4.481 -22.406 1.00 4.57 H new ATOM 0 HD22 ASN A 40 10.768 4.584 -21.000 1.00 4.57 H new ATOM 634 N THR A 41 15.964 5.942 -22.090 1.00 0.94 N ATOM 635 CA THR A 41 17.366 6.432 -21.812 1.00 0.97 C ATOM 636 C THR A 41 18.262 5.768 -22.879 1.00 0.94 C ATOM 637 O THR A 41 17.851 4.773 -23.450 1.00 0.78 O ATOM 638 CB THR A 41 17.917 6.000 -20.411 1.00 0.99 C ATOM 639 OG1 THR A 41 17.942 4.580 -20.416 1.00 1.54 O ATOM 640 CG2 THR A 41 16.933 6.313 -19.283 1.00 1.18 C ATOM 0 H THR A 41 15.926 4.956 -22.348 1.00 0.94 H new ATOM 0 HA THR A 41 17.361 7.522 -21.832 1.00 0.97 H new ATOM 0 HB THR A 41 18.870 6.506 -20.255 1.00 0.99 H new ATOM 0 HG1 THR A 41 18.283 4.256 -19.556 1.00 1.54 H new ATOM 0 HG21 THR A 41 17.358 5.996 -18.331 1.00 1.18 H new ATOM 0 HG22 THR A 41 16.741 7.386 -19.255 1.00 1.18 H new ATOM 0 HG23 THR A 41 15.998 5.781 -19.458 1.00 1.18 H new ATOM 648 N GLU A 42 19.433 6.301 -23.135 1.00 1.29 N ATOM 649 CA GLU A 42 20.334 5.677 -24.166 1.00 1.36 C ATOM 650 C GLU A 42 21.120 4.494 -23.568 1.00 1.35 C ATOM 651 O GLU A 42 21.037 4.231 -22.383 1.00 1.32 O ATOM 652 CB GLU A 42 21.301 6.774 -24.686 1.00 1.52 C ATOM 653 CG GLU A 42 20.529 7.649 -25.715 1.00 4.37 C ATOM 654 CD GLU A 42 21.241 8.978 -26.041 1.00 5.31 C ATOM 655 OE1 GLU A 42 21.478 9.683 -25.074 1.00 4.65 O ATOM 656 OE2 GLU A 42 21.496 9.212 -27.212 1.00 6.96 O ATOM 0 H GLU A 42 19.805 7.135 -22.680 1.00 1.29 H new ATOM 0 HA GLU A 42 19.738 5.282 -24.989 1.00 1.36 H new ATOM 0 HB2 GLU A 42 21.661 7.387 -23.860 1.00 1.52 H new ATOM 0 HB3 GLU A 42 22.176 6.321 -25.152 1.00 1.52 H new ATOM 0 HG2 GLU A 42 20.395 7.081 -26.636 1.00 4.37 H new ATOM 0 HG3 GLU A 42 19.534 7.864 -25.325 1.00 4.37 H new ATOM 663 N ARG A 43 21.870 3.825 -24.398 1.00 1.32 N ATOM 664 CA ARG A 43 22.654 2.659 -23.893 1.00 1.31 C ATOM 665 C ARG A 43 24.121 3.046 -23.570 1.00 1.39 C ATOM 666 O ARG A 43 24.892 3.243 -24.484 1.00 1.51 O ATOM 667 CB ARG A 43 22.585 1.584 -24.945 1.00 1.07 C ATOM 668 CG ARG A 43 23.208 0.308 -24.351 1.00 1.08 C ATOM 669 CD ARG A 43 22.799 -0.840 -25.218 1.00 1.09 C ATOM 670 NE ARG A 43 23.249 -2.092 -24.505 1.00 1.43 N ATOM 671 CZ ARG A 43 24.015 -2.983 -24.994 1.00 0.84 C ATOM 672 NH1 ARG A 43 24.997 -2.630 -25.716 1.00 2.02 N ATOM 673 NH2 ARG A 43 23.731 -4.190 -24.708 1.00 0.73 N ATOM 0 H ARG A 43 21.975 4.029 -25.392 1.00 1.32 H new ATOM 0 HA ARG A 43 22.230 2.301 -22.955 1.00 1.31 H new ATOM 0 HB2 ARG A 43 21.551 1.403 -25.240 1.00 1.07 H new ATOM 0 HB3 ARG A 43 23.124 1.891 -25.842 1.00 1.07 H new ATOM 0 HG2 ARG A 43 24.294 0.393 -24.315 1.00 1.08 H new ATOM 0 HG3 ARG A 43 22.866 0.156 -23.327 1.00 1.08 H new ATOM 0 HD2 ARG A 43 21.720 -0.846 -25.371 1.00 1.09 H new ATOM 0 HD3 ARG A 43 23.260 -0.767 -26.203 1.00 1.09 H new ATOM 0 HE ARG A 43 22.912 -2.236 -23.553 1.00 1.43 H new ATOM 0 HH11 ARG A 43 25.166 -1.641 -25.899 1.00 2.02 H new ATOM 0 HH12 ARG A 43 25.618 -3.335 -26.113 1.00 2.02 H new ATOM 0 HH21 ARG A 43 22.927 -4.398 -24.117 1.00 0.73 H new ATOM 0 HH22 ARG A 43 24.308 -4.949 -25.070 1.00 0.73 H new ATOM 687 N PRO A 44 24.476 3.135 -22.303 1.00 1.43 N ATOM 688 CA PRO A 44 25.846 3.506 -21.803 1.00 1.59 C ATOM 689 C PRO A 44 27.114 3.303 -22.675 1.00 1.91 C ATOM 690 O PRO A 44 28.080 4.039 -22.608 1.00 3.35 O ATOM 691 CB PRO A 44 25.920 2.761 -20.442 1.00 1.44 C ATOM 692 CG PRO A 44 24.514 2.118 -20.239 1.00 2.05 C ATOM 693 CD PRO A 44 23.572 2.834 -21.164 1.00 1.47 C ATOM 0 HA PRO A 44 25.904 4.594 -21.780 1.00 1.59 H new ATOM 0 HB2 PRO A 44 26.701 2.001 -20.453 1.00 1.44 H new ATOM 0 HB3 PRO A 44 26.157 3.449 -19.631 1.00 1.44 H new ATOM 0 HG2 PRO A 44 24.540 1.052 -20.464 1.00 2.05 H new ATOM 0 HG3 PRO A 44 24.189 2.218 -19.203 1.00 2.05 H new ATOM 0 HD2 PRO A 44 22.729 2.210 -21.459 1.00 1.47 H new ATOM 0 HD3 PRO A 44 23.158 3.737 -20.715 1.00 1.47 H new ATOM 701 N GLY A 45 27.053 2.298 -23.488 1.00 2.55 N ATOM 702 CA GLY A 45 28.183 1.920 -24.413 1.00 2.71 C ATOM 703 C GLY A 45 29.595 1.705 -23.817 1.00 2.72 C ATOM 704 O GLY A 45 30.029 0.574 -23.731 1.00 2.87 O ATOM 0 H GLY A 45 26.239 1.688 -23.564 1.00 2.55 H new ATOM 0 HA2 GLY A 45 27.897 1.001 -24.924 1.00 2.71 H new ATOM 0 HA3 GLY A 45 28.261 2.697 -25.174 1.00 2.71 H new ATOM 708 N MET A 46 30.255 2.765 -23.420 1.00 2.72 N ATOM 709 CA MET A 46 31.646 2.662 -22.836 1.00 2.76 C ATOM 710 C MET A 46 31.808 1.645 -21.691 1.00 2.61 C ATOM 711 O MET A 46 32.567 0.698 -21.787 1.00 2.76 O ATOM 712 CB MET A 46 32.082 4.079 -22.340 1.00 2.88 C ATOM 713 CG MET A 46 33.315 4.528 -23.158 1.00 2.07 C ATOM 714 SD MET A 46 34.222 5.977 -22.566 1.00 1.57 S ATOM 715 CE MET A 46 35.424 5.102 -21.532 1.00 3.44 C ATOM 0 H MET A 46 29.890 3.716 -23.473 1.00 2.72 H new ATOM 0 HA MET A 46 32.283 2.289 -23.638 1.00 2.76 H new ATOM 0 HB2 MET A 46 31.266 4.791 -22.463 1.00 2.88 H new ATOM 0 HB3 MET A 46 32.322 4.051 -21.277 1.00 2.88 H new ATOM 0 HG2 MET A 46 34.011 3.691 -23.205 1.00 2.07 H new ATOM 0 HG3 MET A 46 32.988 4.729 -24.178 1.00 2.07 H new ATOM 0 HE1 MET A 46 36.094 5.823 -21.064 1.00 3.44 H new ATOM 0 HE2 MET A 46 34.899 4.540 -20.760 1.00 3.44 H new ATOM 0 HE3 MET A 46 36.004 4.416 -22.149 1.00 3.44 H new ATOM 725 N LEU A 47 31.090 1.871 -20.624 1.00 2.36 N ATOM 726 CA LEU A 47 31.185 0.922 -19.468 1.00 2.24 C ATOM 727 C LEU A 47 29.977 -0.019 -19.426 1.00 2.41 C ATOM 728 O LEU A 47 28.873 0.280 -19.854 1.00 4.54 O ATOM 729 CB LEU A 47 31.305 1.741 -18.137 1.00 1.87 C ATOM 730 CG LEU A 47 32.676 2.490 -18.045 1.00 2.49 C ATOM 731 CD1 LEU A 47 32.973 2.823 -16.586 1.00 3.17 C ATOM 732 CD2 LEU A 47 33.861 1.674 -18.607 1.00 2.00 C ATOM 0 H LEU A 47 30.451 2.656 -20.499 1.00 2.36 H new ATOM 0 HA LEU A 47 32.073 0.302 -19.589 1.00 2.24 H new ATOM 0 HB2 LEU A 47 30.490 2.463 -18.078 1.00 1.87 H new ATOM 0 HB3 LEU A 47 31.198 1.070 -17.285 1.00 1.87 H new ATOM 0 HG LEU A 47 32.578 3.389 -18.653 1.00 2.49 H new ATOM 0 HD11 LEU A 47 33.928 3.345 -16.519 1.00 3.17 H new ATOM 0 HD12 LEU A 47 32.182 3.460 -16.190 1.00 3.17 H new ATOM 0 HD13 LEU A 47 33.021 1.902 -16.005 1.00 3.17 H new ATOM 0 HD21 LEU A 47 34.779 2.253 -18.511 1.00 2.00 H new ATOM 0 HD22 LEU A 47 33.959 0.743 -18.048 1.00 2.00 H new ATOM 0 HD23 LEU A 47 33.682 1.449 -19.658 1.00 2.00 H new ATOM 744 N ASP A 48 30.236 -1.162 -18.856 1.00 0.62 N ATOM 745 CA ASP A 48 29.166 -2.178 -18.765 1.00 1.21 C ATOM 746 C ASP A 48 28.595 -2.359 -17.379 1.00 1.54 C ATOM 747 O ASP A 48 27.526 -1.834 -17.165 1.00 2.07 O ATOM 748 CB ASP A 48 29.768 -3.475 -19.318 1.00 1.83 C ATOM 749 CG ASP A 48 28.725 -4.562 -19.520 1.00 4.15 C ATOM 750 OD1 ASP A 48 27.587 -4.387 -19.133 1.00 5.59 O ATOM 751 OD2 ASP A 48 29.120 -5.550 -20.097 1.00 5.28 O ATOM 0 H ASP A 48 31.135 -1.430 -18.455 1.00 0.62 H new ATOM 0 HA ASP A 48 28.302 -1.852 -19.345 1.00 1.21 H new ATOM 0 HB2 ASP A 48 30.260 -3.267 -20.268 1.00 1.83 H new ATOM 0 HB3 ASP A 48 30.536 -3.836 -18.634 1.00 1.83 H new ATOM 756 N PHE A 49 29.258 -3.052 -16.490 1.00 1.52 N ATOM 757 CA PHE A 49 28.705 -3.243 -15.104 1.00 2.04 C ATOM 758 C PHE A 49 27.829 -2.044 -14.656 1.00 1.87 C ATOM 759 O PHE A 49 26.634 -2.149 -14.482 1.00 1.86 O ATOM 760 CB PHE A 49 29.947 -3.525 -14.162 1.00 2.44 C ATOM 761 CG PHE A 49 30.623 -2.267 -13.629 1.00 2.43 C ATOM 762 CD1 PHE A 49 31.435 -1.494 -14.430 1.00 2.74 C ATOM 763 CD2 PHE A 49 30.395 -1.889 -12.326 1.00 2.52 C ATOM 764 CE1 PHE A 49 32.019 -0.345 -13.939 1.00 3.21 C ATOM 765 CE2 PHE A 49 30.972 -0.747 -11.825 1.00 2.77 C ATOM 766 CZ PHE A 49 31.787 0.030 -12.630 1.00 3.17 C ATOM 0 H PHE A 49 30.160 -3.497 -16.659 1.00 1.52 H new ATOM 0 HA PHE A 49 28.018 -4.088 -15.060 1.00 2.04 H new ATOM 0 HB2 PHE A 49 29.619 -4.133 -13.319 1.00 2.44 H new ATOM 0 HB3 PHE A 49 30.681 -4.113 -14.713 1.00 2.44 H new ATOM 0 HD1 PHE A 49 31.616 -1.791 -15.453 1.00 2.74 H new ATOM 0 HD2 PHE A 49 29.760 -2.492 -11.694 1.00 2.52 H new ATOM 0 HE1 PHE A 49 32.653 0.257 -14.573 1.00 3.21 H new ATOM 0 HE2 PHE A 49 30.789 -0.455 -10.801 1.00 2.77 H new ATOM 0 HZ PHE A 49 32.240 0.927 -12.236 1.00 3.17 H new ATOM 776 N LYS A 50 28.427 -0.905 -14.529 1.00 1.81 N ATOM 777 CA LYS A 50 27.645 0.292 -14.094 1.00 1.76 C ATOM 778 C LYS A 50 27.090 1.141 -15.244 1.00 1.45 C ATOM 779 O LYS A 50 26.499 2.191 -15.009 1.00 1.47 O ATOM 780 CB LYS A 50 28.545 1.161 -13.220 1.00 1.97 C ATOM 781 CG LYS A 50 27.731 1.802 -12.066 1.00 1.98 C ATOM 782 CD LYS A 50 28.367 3.145 -11.585 1.00 2.25 C ATOM 783 CE LYS A 50 28.233 4.200 -12.696 1.00 4.55 C ATOM 784 NZ LYS A 50 26.780 4.320 -13.018 1.00 6.23 N ATOM 0 H LYS A 50 29.418 -0.741 -14.704 1.00 1.81 H new ATOM 0 HA LYS A 50 26.776 -0.081 -13.552 1.00 1.76 H new ATOM 0 HB2 LYS A 50 29.355 0.558 -12.810 1.00 1.97 H new ATOM 0 HB3 LYS A 50 29.005 1.942 -13.826 1.00 1.97 H new ATOM 0 HG2 LYS A 50 26.709 1.982 -12.399 1.00 1.98 H new ATOM 0 HG3 LYS A 50 27.676 1.106 -11.229 1.00 1.98 H new ATOM 0 HD2 LYS A 50 27.871 3.491 -10.678 1.00 2.25 H new ATOM 0 HD3 LYS A 50 29.417 2.994 -11.336 1.00 2.25 H new ATOM 0 HE2 LYS A 50 28.635 5.158 -12.367 1.00 4.55 H new ATOM 0 HE3 LYS A 50 28.799 3.903 -13.579 1.00 4.55 H new ATOM 0 HZ1 LYS A 50 26.590 5.261 -13.419 1.00 6.23 H new ATOM 0 HZ2 LYS A 50 26.516 3.589 -13.709 1.00 6.23 H new ATOM 0 HZ3 LYS A 50 26.221 4.194 -12.150 1.00 6.23 H new ATOM 798 N GLY A 51 27.326 0.679 -16.439 1.00 1.27 N ATOM 799 CA GLY A 51 26.830 1.372 -17.668 1.00 1.06 C ATOM 800 C GLY A 51 25.803 0.393 -18.272 1.00 0.87 C ATOM 801 O GLY A 51 24.664 0.389 -17.859 1.00 0.76 O ATOM 0 H GLY A 51 27.856 -0.173 -16.623 1.00 1.27 H new ATOM 0 HA2 GLY A 51 26.371 2.330 -17.426 1.00 1.06 H new ATOM 0 HA3 GLY A 51 27.643 1.575 -18.365 1.00 1.06 H new ATOM 805 N LYS A 52 26.219 -0.411 -19.209 1.00 0.95 N ATOM 806 CA LYS A 52 25.297 -1.409 -19.864 1.00 0.79 C ATOM 807 C LYS A 52 24.641 -2.476 -18.984 1.00 0.73 C ATOM 808 O LYS A 52 23.453 -2.604 -19.092 1.00 0.56 O ATOM 809 CB LYS A 52 26.040 -2.158 -20.927 1.00 0.84 C ATOM 810 CG LYS A 52 26.620 -1.280 -22.017 1.00 0.75 C ATOM 811 CD LYS A 52 28.039 -1.882 -22.339 1.00 1.15 C ATOM 812 CE LYS A 52 28.038 -3.365 -22.924 1.00 1.53 C ATOM 813 NZ LYS A 52 27.579 -4.441 -21.962 1.00 4.14 N ATOM 0 H LYS A 52 27.176 -0.427 -19.562 1.00 0.95 H new ATOM 0 HA LYS A 52 24.488 -0.771 -20.221 1.00 0.79 H new ATOM 0 HB2 LYS A 52 26.849 -2.721 -20.461 1.00 0.84 H new ATOM 0 HB3 LYS A 52 25.367 -2.885 -21.382 1.00 0.84 H new ATOM 0 HG2 LYS A 52 25.984 -1.283 -22.902 1.00 0.75 H new ATOM 0 HG3 LYS A 52 26.700 -0.245 -21.685 1.00 0.75 H new ATOM 0 HD2 LYS A 52 28.538 -1.228 -23.054 1.00 1.15 H new ATOM 0 HD3 LYS A 52 28.635 -1.870 -21.427 1.00 1.15 H new ATOM 0 HE2 LYS A 52 27.396 -3.390 -23.804 1.00 1.53 H new ATOM 0 HE3 LYS A 52 29.047 -3.606 -23.259 1.00 1.53 H new ATOM 0 HZ1 LYS A 52 28.396 -5.013 -21.665 1.00 4.14 H new ATOM 0 HZ2 LYS A 52 27.145 -3.998 -21.127 1.00 4.14 H new ATOM 0 HZ3 LYS A 52 26.881 -5.052 -22.432 1.00 4.14 H new ATOM 827 N ALA A 53 25.363 -3.203 -18.174 1.00 0.83 N ATOM 828 CA ALA A 53 24.722 -4.251 -17.325 1.00 0.78 C ATOM 829 C ALA A 53 23.371 -3.756 -16.780 1.00 0.51 C ATOM 830 O ALA A 53 22.313 -4.181 -17.197 1.00 0.46 O ATOM 831 CB ALA A 53 25.713 -4.584 -16.188 1.00 1.01 C ATOM 0 H ALA A 53 26.373 -3.116 -18.063 1.00 0.83 H new ATOM 0 HA ALA A 53 24.508 -5.149 -17.905 1.00 0.78 H new ATOM 0 HB1 ALA A 53 25.282 -5.349 -15.542 1.00 1.01 H new ATOM 0 HB2 ALA A 53 26.646 -4.953 -16.615 1.00 1.01 H new ATOM 0 HB3 ALA A 53 25.912 -3.685 -15.604 1.00 1.01 H new ATOM 837 N LYS A 54 23.450 -2.843 -15.864 1.00 0.48 N ATOM 838 CA LYS A 54 22.216 -2.259 -15.236 1.00 0.35 C ATOM 839 C LYS A 54 21.177 -1.648 -16.251 1.00 0.28 C ATOM 840 O LYS A 54 20.074 -1.275 -15.916 1.00 0.21 O ATOM 841 CB LYS A 54 22.739 -1.211 -14.295 1.00 0.38 C ATOM 842 CG LYS A 54 23.048 -0.042 -15.218 1.00 0.70 C ATOM 843 CD LYS A 54 23.794 1.035 -14.569 1.00 0.87 C ATOM 844 CE LYS A 54 23.654 2.193 -15.565 1.00 1.87 C ATOM 845 NZ LYS A 54 24.124 3.410 -14.901 1.00 0.98 N ATOM 0 H LYS A 54 24.327 -2.462 -15.510 1.00 0.48 H new ATOM 0 HA LYS A 54 21.641 -3.044 -14.745 1.00 0.35 H new ATOM 0 HB2 LYS A 54 22.001 -0.944 -13.539 1.00 0.38 H new ATOM 0 HB3 LYS A 54 23.628 -1.552 -13.765 1.00 0.38 H new ATOM 0 HG2 LYS A 54 23.620 -0.405 -16.072 1.00 0.70 H new ATOM 0 HG3 LYS A 54 22.113 0.359 -15.608 1.00 0.70 H new ATOM 0 HD2 LYS A 54 23.376 1.287 -13.595 1.00 0.87 H new ATOM 0 HD3 LYS A 54 24.837 0.764 -14.408 1.00 0.87 H new ATOM 0 HE2 LYS A 54 24.239 1.997 -16.464 1.00 1.87 H new ATOM 0 HE3 LYS A 54 22.616 2.305 -15.878 1.00 1.87 H new ATOM 0 HZ1 LYS A 54 23.676 4.240 -15.339 1.00 0.98 H new ATOM 0 HZ2 LYS A 54 23.874 3.374 -13.892 1.00 0.98 H new ATOM 0 HZ3 LYS A 54 25.157 3.482 -14.999 1.00 0.98 H new ATOM 859 N TRP A 55 21.534 -1.554 -17.503 1.00 0.32 N ATOM 860 CA TRP A 55 20.625 -0.960 -18.547 1.00 0.31 C ATOM 861 C TRP A 55 19.936 -2.099 -19.319 1.00 0.25 C ATOM 862 O TRP A 55 18.741 -2.183 -19.530 1.00 0.16 O ATOM 863 CB TRP A 55 21.541 -0.119 -19.408 1.00 0.56 C ATOM 864 CG TRP A 55 20.757 0.880 -20.248 1.00 0.60 C ATOM 865 CD1 TRP A 55 20.373 2.129 -19.851 1.00 0.61 C ATOM 866 CD2 TRP A 55 20.341 0.654 -21.506 1.00 0.60 C ATOM 867 NE1 TRP A 55 19.742 2.578 -20.924 1.00 0.55 N ATOM 868 CE2 TRP A 55 19.669 1.774 -21.968 1.00 0.54 C ATOM 869 CE3 TRP A 55 20.476 -0.467 -22.325 1.00 0.65 C ATOM 870 CZ2 TRP A 55 19.131 1.782 -23.251 1.00 0.48 C ATOM 871 CZ3 TRP A 55 19.934 -0.459 -23.605 1.00 0.66 C ATOM 872 CH2 TRP A 55 19.263 0.667 -24.073 1.00 0.57 C ATOM 0 H TRP A 55 22.436 -1.869 -17.861 1.00 0.32 H new ATOM 0 HA TRP A 55 19.818 -0.347 -18.146 1.00 0.31 H new ATOM 0 HB2 TRP A 55 22.250 0.414 -18.774 1.00 0.56 H new ATOM 0 HB3 TRP A 55 22.124 -0.768 -20.062 1.00 0.56 H new ATOM 0 HD1 TRP A 55 20.541 2.623 -18.905 1.00 0.61 H new ATOM 0 HE1 TRP A 55 19.328 3.510 -20.943 1.00 0.55 H new ATOM 0 HE3 TRP A 55 21.001 -1.340 -21.965 1.00 0.65 H new ATOM 0 HZ2 TRP A 55 18.609 2.657 -23.610 1.00 0.48 H new ATOM 0 HZ3 TRP A 55 20.034 -1.328 -24.238 1.00 0.66 H new ATOM 0 HH2 TRP A 55 18.847 0.675 -25.070 1.00 0.57 H new ATOM 883 N ASP A 56 20.816 -2.995 -19.661 1.00 0.41 N ATOM 884 CA ASP A 56 20.502 -4.230 -20.426 1.00 0.55 C ATOM 885 C ASP A 56 19.458 -4.851 -19.462 1.00 0.47 C ATOM 886 O ASP A 56 18.343 -5.151 -19.835 1.00 0.51 O ATOM 887 CB ASP A 56 21.920 -4.925 -20.578 1.00 0.66 C ATOM 888 CG ASP A 56 22.427 -4.733 -22.000 1.00 0.53 C ATOM 889 OD1 ASP A 56 22.764 -3.608 -22.315 1.00 2.21 O ATOM 890 OD2 ASP A 56 22.479 -5.679 -22.761 1.00 1.65 O ATOM 0 H ASP A 56 21.804 -2.912 -19.423 1.00 0.41 H new ATOM 0 HA ASP A 56 20.084 -4.223 -21.433 1.00 0.55 H new ATOM 0 HB2 ASP A 56 22.626 -4.495 -19.867 1.00 0.66 H new ATOM 0 HB3 ASP A 56 21.843 -5.988 -20.348 1.00 0.66 H new ATOM 895 N ALA A 57 19.873 -4.976 -18.225 1.00 0.39 N ATOM 896 CA ALA A 57 19.053 -5.528 -17.101 1.00 0.37 C ATOM 897 C ALA A 57 17.624 -4.895 -17.013 1.00 0.29 C ATOM 898 O ALA A 57 16.713 -5.483 -16.468 1.00 0.34 O ATOM 899 CB ALA A 57 19.859 -5.272 -15.819 1.00 0.31 C ATOM 0 H ALA A 57 20.810 -4.698 -17.934 1.00 0.39 H new ATOM 0 HA ALA A 57 18.872 -6.591 -17.259 1.00 0.37 H new ATOM 0 HB1 ALA A 57 19.308 -5.655 -14.960 1.00 0.31 H new ATOM 0 HB2 ALA A 57 20.822 -5.778 -15.888 1.00 0.31 H new ATOM 0 HB3 ALA A 57 20.020 -4.201 -15.698 1.00 0.31 H new ATOM 905 N TRP A 58 17.485 -3.697 -17.550 1.00 0.21 N ATOM 906 CA TRP A 58 16.165 -2.951 -17.558 1.00 0.18 C ATOM 907 C TRP A 58 15.466 -3.148 -18.941 1.00 0.17 C ATOM 908 O TRP A 58 14.284 -3.394 -19.025 1.00 0.29 O ATOM 909 CB TRP A 58 16.420 -1.438 -17.279 1.00 0.06 C ATOM 910 CG TRP A 58 15.099 -0.635 -17.433 1.00 0.20 C ATOM 911 CD1 TRP A 58 13.829 -1.155 -17.488 1.00 0.32 C ATOM 912 CD2 TRP A 58 15.014 0.706 -17.573 1.00 0.33 C ATOM 913 NE1 TRP A 58 13.067 -0.092 -17.667 1.00 0.50 N ATOM 914 CE2 TRP A 58 13.682 1.069 -17.727 1.00 0.52 C ATOM 915 CE3 TRP A 58 15.995 1.695 -17.564 1.00 0.34 C ATOM 916 CZ2 TRP A 58 13.320 2.400 -17.879 1.00 0.69 C ATOM 917 CZ3 TRP A 58 15.636 3.035 -17.710 1.00 0.52 C ATOM 918 CH2 TRP A 58 14.300 3.388 -17.869 1.00 0.69 C ATOM 0 H TRP A 58 18.249 -3.189 -17.995 1.00 0.21 H new ATOM 0 HA TRP A 58 15.512 -3.343 -16.778 1.00 0.18 H new ATOM 0 HB2 TRP A 58 16.818 -1.308 -16.273 1.00 0.06 H new ATOM 0 HB3 TRP A 58 17.170 -1.054 -17.970 1.00 0.06 H new ATOM 0 HD1 TRP A 58 13.526 -2.188 -17.405 1.00 0.32 H new ATOM 0 HE1 TRP A 58 12.054 -0.167 -17.754 1.00 0.50 H new ATOM 0 HE3 TRP A 58 17.034 1.424 -17.444 1.00 0.34 H new ATOM 0 HZ2 TRP A 58 12.281 2.668 -18.005 1.00 0.69 H new ATOM 0 HZ3 TRP A 58 16.398 3.801 -17.700 1.00 0.52 H new ATOM 0 HH2 TRP A 58 14.024 4.426 -17.984 1.00 0.69 H new ATOM 929 N ASN A 59 16.213 -3.041 -20.002 1.00 0.16 N ATOM 930 CA ASN A 59 15.747 -3.204 -21.415 1.00 0.20 C ATOM 931 C ASN A 59 15.001 -4.563 -21.325 1.00 0.25 C ATOM 932 O ASN A 59 13.908 -4.697 -21.827 1.00 0.25 O ATOM 933 CB ASN A 59 17.030 -3.195 -22.294 1.00 0.34 C ATOM 934 CG ASN A 59 16.710 -3.216 -23.784 1.00 0.51 C ATOM 935 OD1 ASN A 59 15.752 -2.632 -24.249 1.00 0.60 O ATOM 936 ND2 ASN A 59 17.492 -3.874 -24.579 1.00 0.61 N ATOM 0 H ASN A 59 17.209 -2.830 -19.941 1.00 0.16 H new ATOM 0 HA ASN A 59 15.094 -2.447 -21.850 1.00 0.20 H new ATOM 0 HB2 ASN A 59 17.619 -2.308 -22.064 1.00 0.34 H new ATOM 0 HB3 ASN A 59 17.645 -4.060 -22.044 1.00 0.34 H new ATOM 0 HD21 ASN A 59 17.299 -3.897 -25.580 1.00 0.61 H new ATOM 0 HD22 ASN A 59 18.301 -4.370 -24.204 1.00 0.61 H new ATOM 943 N GLU A 60 15.625 -5.517 -20.674 1.00 0.29 N ATOM 944 CA GLU A 60 15.026 -6.890 -20.474 1.00 0.37 C ATOM 945 C GLU A 60 13.605 -6.887 -19.829 1.00 0.40 C ATOM 946 O GLU A 60 12.932 -7.894 -19.827 1.00 0.55 O ATOM 947 CB GLU A 60 15.934 -7.749 -19.554 1.00 0.41 C ATOM 948 CG GLU A 60 17.222 -8.205 -20.278 1.00 2.46 C ATOM 949 CD GLU A 60 18.033 -9.245 -19.473 1.00 3.01 C ATOM 950 OE1 GLU A 60 17.758 -9.476 -18.302 1.00 3.36 O ATOM 951 OE2 GLU A 60 18.917 -9.773 -20.122 1.00 3.44 O ATOM 0 H GLU A 60 16.550 -5.404 -20.259 1.00 0.29 H new ATOM 0 HA GLU A 60 14.944 -7.301 -21.480 1.00 0.37 H new ATOM 0 HB2 GLU A 60 16.200 -7.174 -18.667 1.00 0.41 H new ATOM 0 HB3 GLU A 60 15.381 -8.624 -19.212 1.00 0.41 H new ATOM 0 HG2 GLU A 60 16.957 -8.630 -21.246 1.00 2.46 H new ATOM 0 HG3 GLU A 60 17.850 -7.335 -20.473 1.00 2.46 H new ATOM 958 N LEU A 61 13.204 -5.765 -19.301 1.00 0.31 N ATOM 959 CA LEU A 61 11.881 -5.551 -18.623 1.00 0.42 C ATOM 960 C LEU A 61 11.031 -4.501 -19.350 1.00 0.54 C ATOM 961 O LEU A 61 9.993 -4.127 -18.830 1.00 0.81 O ATOM 962 CB LEU A 61 12.068 -5.030 -17.172 1.00 0.34 C ATOM 963 CG LEU A 61 13.185 -5.727 -16.398 1.00 0.26 C ATOM 964 CD1 LEU A 61 13.153 -5.153 -14.971 1.00 0.22 C ATOM 965 CD2 LEU A 61 12.928 -7.226 -16.341 1.00 0.33 C ATOM 0 H LEU A 61 13.781 -4.924 -19.312 1.00 0.31 H new ATOM 0 HA LEU A 61 11.386 -6.522 -18.633 1.00 0.42 H new ATOM 0 HB2 LEU A 61 12.276 -3.961 -17.205 1.00 0.34 H new ATOM 0 HB3 LEU A 61 11.131 -5.155 -16.629 1.00 0.34 H new ATOM 0 HG LEU A 61 14.150 -5.564 -16.878 1.00 0.26 H new ATOM 0 HD11 LEU A 61 13.936 -5.620 -14.373 1.00 0.22 H new ATOM 0 HD12 LEU A 61 13.319 -4.076 -15.008 1.00 0.22 H new ATOM 0 HD13 LEU A 61 12.182 -5.355 -14.519 1.00 0.22 H new ATOM 0 HD21 LEU A 61 13.731 -7.712 -15.787 1.00 0.33 H new ATOM 0 HD22 LEU A 61 11.977 -7.413 -15.842 1.00 0.33 H new ATOM 0 HD23 LEU A 61 12.891 -7.628 -17.354 1.00 0.33 H new ATOM 977 N LYS A 62 11.456 -4.074 -20.508 1.00 0.44 N ATOM 978 CA LYS A 62 10.693 -3.049 -21.270 1.00 0.64 C ATOM 979 C LYS A 62 9.275 -3.680 -21.439 1.00 1.27 C ATOM 980 O LYS A 62 9.167 -4.890 -21.539 1.00 3.50 O ATOM 981 CB LYS A 62 11.561 -2.856 -22.560 1.00 0.47 C ATOM 982 CG LYS A 62 10.953 -1.719 -23.415 1.00 0.59 C ATOM 983 CD LYS A 62 11.650 -1.580 -24.810 1.00 1.40 C ATOM 984 CE LYS A 62 10.904 -0.498 -25.635 1.00 1.33 C ATOM 985 NZ LYS A 62 11.549 -0.328 -26.979 1.00 3.84 N ATOM 0 H LYS A 62 12.310 -4.397 -20.963 1.00 0.44 H new ATOM 0 HA LYS A 62 10.531 -2.060 -20.842 1.00 0.64 H new ATOM 0 HB2 LYS A 62 12.589 -2.614 -22.289 1.00 0.47 H new ATOM 0 HB3 LYS A 62 11.592 -3.782 -23.134 1.00 0.47 H new ATOM 0 HG2 LYS A 62 9.889 -1.907 -23.561 1.00 0.59 H new ATOM 0 HG3 LYS A 62 11.038 -0.777 -22.874 1.00 0.59 H new ATOM 0 HD2 LYS A 62 12.697 -1.303 -24.683 1.00 1.40 H new ATOM 0 HD3 LYS A 62 11.634 -2.534 -25.337 1.00 1.40 H new ATOM 0 HE2 LYS A 62 9.859 -0.783 -25.759 1.00 1.33 H new ATOM 0 HE3 LYS A 62 10.914 0.450 -25.097 1.00 1.33 H new ATOM 0 HZ1 LYS A 62 11.039 0.399 -27.519 1.00 3.84 H new ATOM 0 HZ2 LYS A 62 12.539 -0.036 -26.854 1.00 3.84 H new ATOM 0 HZ3 LYS A 62 11.517 -1.230 -27.496 1.00 3.84 H new ATOM 999 N GLY A 63 8.215 -2.913 -21.472 1.00 0.88 N ATOM 1000 CA GLY A 63 6.855 -3.548 -21.622 1.00 0.52 C ATOM 1001 C GLY A 63 6.237 -3.943 -20.268 1.00 0.54 C ATOM 1002 O GLY A 63 5.045 -3.813 -20.070 1.00 1.27 O ATOM 0 H GLY A 63 8.222 -1.895 -21.404 1.00 0.88 H new ATOM 0 HA2 GLY A 63 6.188 -2.854 -22.134 1.00 0.52 H new ATOM 0 HA3 GLY A 63 6.938 -4.434 -22.252 1.00 0.52 H new ATOM 1006 N THR A 64 7.053 -4.433 -19.368 1.00 0.62 N ATOM 1007 CA THR A 64 6.549 -4.852 -18.006 1.00 0.53 C ATOM 1008 C THR A 64 5.663 -3.784 -17.367 1.00 0.44 C ATOM 1009 O THR A 64 5.850 -2.599 -17.596 1.00 0.27 O ATOM 1010 CB THR A 64 7.723 -5.114 -17.043 1.00 0.59 C ATOM 1011 OG1 THR A 64 8.459 -6.164 -17.637 1.00 0.70 O ATOM 1012 CG2 THR A 64 7.298 -5.741 -15.717 1.00 0.70 C ATOM 0 H THR A 64 8.054 -4.565 -19.511 1.00 0.62 H new ATOM 0 HA THR A 64 5.968 -5.760 -18.166 1.00 0.53 H new ATOM 0 HB THR A 64 8.226 -4.162 -16.872 1.00 0.59 H new ATOM 0 HG1 THR A 64 9.149 -5.789 -18.223 1.00 0.70 H new ATOM 0 HG21 THR A 64 8.176 -5.897 -15.090 1.00 0.70 H new ATOM 0 HG22 THR A 64 6.601 -5.076 -15.207 1.00 0.70 H new ATOM 0 HG23 THR A 64 6.813 -6.699 -15.906 1.00 0.70 H new ATOM 1020 N SER A 65 4.732 -4.232 -16.561 1.00 0.69 N ATOM 1021 CA SER A 65 3.818 -3.260 -15.885 1.00 0.74 C ATOM 1022 C SER A 65 4.484 -2.820 -14.581 1.00 0.71 C ATOM 1023 O SER A 65 4.625 -3.564 -13.634 1.00 0.99 O ATOM 1024 CB SER A 65 2.454 -3.903 -15.550 1.00 0.96 C ATOM 1025 OG SER A 65 1.817 -4.169 -16.802 1.00 3.61 O ATOM 0 H SER A 65 4.566 -5.215 -16.344 1.00 0.69 H new ATOM 0 HA SER A 65 3.641 -2.418 -16.554 1.00 0.74 H new ATOM 0 HB2 SER A 65 2.587 -4.822 -14.979 1.00 0.96 H new ATOM 0 HB3 SER A 65 1.848 -3.233 -14.940 1.00 0.96 H new ATOM 0 HG SER A 65 0.943 -4.582 -16.643 1.00 3.61 H new ATOM 1031 N LYS A 66 4.895 -1.581 -14.634 1.00 0.53 N ATOM 1032 CA LYS A 66 5.582 -0.884 -13.497 1.00 0.54 C ATOM 1033 C LYS A 66 5.242 -1.455 -12.112 1.00 0.42 C ATOM 1034 O LYS A 66 6.099 -1.843 -11.337 1.00 0.51 O ATOM 1035 CB LYS A 66 5.231 0.636 -13.648 1.00 0.68 C ATOM 1036 CG LYS A 66 5.774 1.106 -15.041 1.00 0.88 C ATOM 1037 CD LYS A 66 5.990 2.641 -15.154 1.00 1.37 C ATOM 1038 CE LYS A 66 4.781 3.472 -14.710 1.00 1.15 C ATOM 1039 NZ LYS A 66 4.941 4.854 -15.290 1.00 2.18 N ATOM 0 H LYS A 66 4.778 -0.993 -15.459 1.00 0.53 H new ATOM 0 HA LYS A 66 6.659 -1.043 -13.553 1.00 0.54 H new ATOM 0 HB2 LYS A 66 4.154 0.789 -13.584 1.00 0.68 H new ATOM 0 HB3 LYS A 66 5.684 1.216 -12.844 1.00 0.68 H new ATOM 0 HG2 LYS A 66 6.720 0.601 -15.239 1.00 0.88 H new ATOM 0 HG3 LYS A 66 5.076 0.790 -15.816 1.00 0.88 H new ATOM 0 HD2 LYS A 66 6.853 2.922 -14.551 1.00 1.37 H new ATOM 0 HD3 LYS A 66 6.229 2.889 -16.188 1.00 1.37 H new ATOM 0 HE2 LYS A 66 3.854 3.016 -15.058 1.00 1.15 H new ATOM 0 HE3 LYS A 66 4.726 3.517 -13.622 1.00 1.15 H new ATOM 0 HZ1 LYS A 66 5.029 5.546 -14.519 1.00 2.18 H new ATOM 0 HZ2 LYS A 66 5.795 4.885 -15.882 1.00 2.18 H new ATOM 0 HZ3 LYS A 66 4.109 5.086 -15.870 1.00 2.18 H new ATOM 1053 N GLU A 67 3.969 -1.482 -11.854 1.00 0.37 N ATOM 1054 CA GLU A 67 3.416 -2.003 -10.585 1.00 0.49 C ATOM 1055 C GLU A 67 3.954 -3.384 -10.195 1.00 0.45 C ATOM 1056 O GLU A 67 4.464 -3.529 -9.102 1.00 0.41 O ATOM 1057 CB GLU A 67 1.894 -1.996 -10.764 1.00 0.76 C ATOM 1058 CG GLU A 67 1.356 -0.520 -10.647 1.00 1.15 C ATOM 1059 CD GLU A 67 -0.140 -0.402 -10.287 1.00 1.74 C ATOM 1060 OE1 GLU A 67 -0.855 -1.382 -10.417 1.00 1.06 O ATOM 1061 OE2 GLU A 67 -0.453 0.719 -9.899 1.00 3.92 O ATOM 0 H GLU A 67 3.259 -1.147 -12.505 1.00 0.37 H new ATOM 0 HA GLU A 67 3.726 -1.373 -9.751 1.00 0.49 H new ATOM 0 HB2 GLU A 67 1.630 -2.414 -11.735 1.00 0.76 H new ATOM 0 HB3 GLU A 67 1.426 -2.626 -10.008 1.00 0.76 H new ATOM 0 HG2 GLU A 67 1.940 0.005 -9.891 1.00 1.15 H new ATOM 0 HG3 GLU A 67 1.528 -0.009 -11.594 1.00 1.15 H new ATOM 1068 N ASP A 68 3.877 -4.400 -11.009 1.00 0.55 N ATOM 1069 CA ASP A 68 4.431 -5.710 -10.547 1.00 0.71 C ATOM 1070 C ASP A 68 5.901 -5.615 -10.195 1.00 0.63 C ATOM 1071 O ASP A 68 6.375 -6.209 -9.242 1.00 0.74 O ATOM 1072 CB ASP A 68 4.070 -6.677 -11.681 1.00 0.96 C ATOM 1073 CG ASP A 68 2.835 -7.398 -11.170 1.00 1.01 C ATOM 1074 OD1 ASP A 68 1.884 -6.739 -10.784 1.00 2.42 O ATOM 1075 OD2 ASP A 68 2.884 -8.615 -11.153 1.00 1.94 O ATOM 0 H ASP A 68 3.470 -4.388 -11.944 1.00 0.55 H new ATOM 0 HA ASP A 68 4.011 -6.065 -9.606 1.00 0.71 H new ATOM 0 HB2 ASP A 68 3.866 -6.144 -12.610 1.00 0.96 H new ATOM 0 HB3 ASP A 68 4.883 -7.374 -11.885 1.00 0.96 H new ATOM 1080 N ALA A 69 6.590 -4.851 -10.986 1.00 0.48 N ATOM 1081 CA ALA A 69 8.048 -4.673 -10.724 1.00 0.60 C ATOM 1082 C ALA A 69 8.170 -4.202 -9.249 1.00 0.54 C ATOM 1083 O ALA A 69 9.051 -4.655 -8.552 1.00 0.74 O ATOM 1084 CB ALA A 69 8.592 -3.635 -11.714 1.00 0.56 C ATOM 0 H ALA A 69 6.220 -4.347 -11.792 1.00 0.48 H new ATOM 0 HA ALA A 69 8.626 -5.587 -10.861 1.00 0.60 H new ATOM 0 HB1 ALA A 69 9.658 -3.490 -11.540 1.00 0.56 H new ATOM 0 HB2 ALA A 69 8.436 -3.988 -12.733 1.00 0.56 H new ATOM 0 HB3 ALA A 69 8.069 -2.689 -11.573 1.00 0.56 H new ATOM 1090 N MET A 70 7.283 -3.326 -8.824 1.00 0.28 N ATOM 1091 CA MET A 70 7.331 -2.825 -7.407 1.00 0.20 C ATOM 1092 C MET A 70 7.387 -3.998 -6.426 1.00 0.20 C ATOM 1093 O MET A 70 8.328 -4.099 -5.669 1.00 0.21 O ATOM 1094 CB MET A 70 6.065 -1.944 -7.100 1.00 0.14 C ATOM 1095 CG MET A 70 5.965 -0.725 -8.049 1.00 0.21 C ATOM 1096 SD MET A 70 4.692 0.504 -7.633 1.00 0.54 S ATOM 1097 CE MET A 70 5.581 2.037 -8.012 1.00 1.42 C ATOM 0 H MET A 70 6.531 -2.938 -9.394 1.00 0.28 H new ATOM 0 HA MET A 70 8.229 -2.219 -7.288 1.00 0.20 H new ATOM 0 HB2 MET A 70 5.167 -2.554 -7.197 1.00 0.14 H new ATOM 0 HB3 MET A 70 6.106 -1.598 -6.067 1.00 0.14 H new ATOM 0 HG2 MET A 70 6.933 -0.224 -8.069 1.00 0.21 H new ATOM 0 HG3 MET A 70 5.774 -1.090 -9.058 1.00 0.21 H new ATOM 0 HE1 MET A 70 5.744 2.600 -7.093 1.00 1.42 H new ATOM 0 HE2 MET A 70 6.542 1.797 -8.466 1.00 1.42 H new ATOM 0 HE3 MET A 70 4.992 2.637 -8.705 1.00 1.42 H new ATOM 1107 N LYS A 71 6.383 -4.826 -6.471 1.00 0.26 N ATOM 1108 CA LYS A 71 6.309 -6.017 -5.579 1.00 0.37 C ATOM 1109 C LYS A 71 7.709 -6.675 -5.427 1.00 0.45 C ATOM 1110 O LYS A 71 8.265 -6.801 -4.353 1.00 0.50 O ATOM 1111 CB LYS A 71 5.241 -6.921 -6.243 1.00 0.46 C ATOM 1112 CG LYS A 71 3.827 -6.412 -5.859 1.00 0.59 C ATOM 1113 CD LYS A 71 2.827 -6.674 -7.018 1.00 1.36 C ATOM 1114 CE LYS A 71 2.759 -8.139 -7.426 1.00 2.94 C ATOM 1115 NZ LYS A 71 1.863 -8.222 -8.623 1.00 4.24 N ATOM 0 H LYS A 71 5.590 -4.725 -7.105 1.00 0.26 H new ATOM 0 HA LYS A 71 6.021 -5.788 -4.553 1.00 0.37 H new ATOM 0 HB2 LYS A 71 5.362 -6.911 -7.326 1.00 0.46 H new ATOM 0 HB3 LYS A 71 5.369 -7.953 -5.918 1.00 0.46 H new ATOM 0 HG2 LYS A 71 3.485 -6.915 -4.954 1.00 0.59 H new ATOM 0 HG3 LYS A 71 3.865 -5.346 -5.636 1.00 0.59 H new ATOM 0 HD2 LYS A 71 1.834 -6.340 -6.716 1.00 1.36 H new ATOM 0 HD3 LYS A 71 3.116 -6.075 -7.882 1.00 1.36 H new ATOM 0 HE2 LYS A 71 3.753 -8.520 -7.662 1.00 2.94 H new ATOM 0 HE3 LYS A 71 2.370 -8.748 -6.610 1.00 2.94 H new ATOM 0 HZ1 LYS A 71 2.265 -8.890 -9.312 1.00 4.24 H new ATOM 0 HZ2 LYS A 71 0.921 -8.552 -8.330 1.00 4.24 H new ATOM 0 HZ3 LYS A 71 1.780 -7.282 -9.060 1.00 4.24 H new ATOM 1129 N ALA A 72 8.251 -7.047 -6.552 1.00 0.45 N ATOM 1130 CA ALA A 72 9.600 -7.699 -6.547 1.00 0.45 C ATOM 1131 C ALA A 72 10.683 -6.689 -6.056 1.00 0.50 C ATOM 1132 O ALA A 72 11.504 -7.039 -5.235 1.00 0.76 O ATOM 1133 CB ALA A 72 9.814 -8.197 -7.989 1.00 0.42 C ATOM 0 H ALA A 72 7.826 -6.931 -7.472 1.00 0.45 H new ATOM 0 HA ALA A 72 9.674 -8.539 -5.856 1.00 0.45 H new ATOM 0 HB1 ALA A 72 10.784 -8.688 -8.064 1.00 0.42 H new ATOM 0 HB2 ALA A 72 9.028 -8.906 -8.250 1.00 0.42 H new ATOM 0 HB3 ALA A 72 9.781 -7.350 -8.675 1.00 0.42 H new ATOM 1139 N TYR A 73 10.685 -5.474 -6.548 1.00 0.29 N ATOM 1140 CA TYR A 73 11.687 -4.442 -6.116 1.00 0.30 C ATOM 1141 C TYR A 73 11.742 -4.423 -4.589 1.00 0.27 C ATOM 1142 O TYR A 73 12.794 -4.531 -4.001 1.00 0.24 O ATOM 1143 CB TYR A 73 11.239 -3.074 -6.674 1.00 0.22 C ATOM 1144 CG TYR A 73 12.122 -1.914 -6.178 1.00 0.15 C ATOM 1145 CD1 TYR A 73 13.335 -1.674 -6.781 1.00 0.14 C ATOM 1146 CD2 TYR A 73 11.723 -1.087 -5.138 1.00 0.13 C ATOM 1147 CE1 TYR A 73 14.128 -0.634 -6.362 1.00 0.15 C ATOM 1148 CE2 TYR A 73 12.530 -0.041 -4.723 1.00 0.11 C ATOM 1149 CZ TYR A 73 13.736 0.185 -5.338 1.00 0.14 C ATOM 1150 OH TYR A 73 14.533 1.231 -4.931 1.00 0.16 O ATOM 0 H TYR A 73 10.020 -5.145 -7.247 1.00 0.29 H new ATOM 0 HA TYR A 73 12.683 -4.671 -6.495 1.00 0.30 H new ATOM 0 HB2 TYR A 73 11.264 -3.104 -7.763 1.00 0.22 H new ATOM 0 HB3 TYR A 73 10.205 -2.888 -6.384 1.00 0.22 H new ATOM 0 HD1 TYR A 73 13.666 -2.308 -7.590 1.00 0.14 H new ATOM 0 HD2 TYR A 73 10.776 -1.260 -4.648 1.00 0.13 H new ATOM 0 HE1 TYR A 73 15.076 -0.460 -6.848 1.00 0.15 H new ATOM 0 HE2 TYR A 73 12.210 0.598 -3.914 1.00 0.11 H new ATOM 0 HH TYR A 73 14.367 2.010 -5.502 1.00 0.16 H new ATOM 1160 N ILE A 74 10.569 -4.294 -4.033 1.00 0.31 N ATOM 1161 CA ILE A 74 10.371 -4.245 -2.564 1.00 0.27 C ATOM 1162 C ILE A 74 10.875 -5.572 -2.004 1.00 0.28 C ATOM 1163 O ILE A 74 11.653 -5.576 -1.074 1.00 0.37 O ATOM 1164 CB ILE A 74 8.875 -4.015 -2.314 1.00 0.17 C ATOM 1165 CG1 ILE A 74 8.458 -2.640 -2.895 1.00 0.07 C ATOM 1166 CG2 ILE A 74 8.699 -3.982 -0.781 1.00 0.19 C ATOM 1167 CD1 ILE A 74 6.936 -2.451 -2.729 1.00 0.28 C ATOM 0 H ILE A 74 9.703 -4.217 -4.567 1.00 0.31 H new ATOM 0 HA ILE A 74 10.918 -3.441 -2.072 1.00 0.27 H new ATOM 0 HB ILE A 74 8.269 -4.792 -2.780 1.00 0.17 H new ATOM 0 HG12 ILE A 74 8.992 -1.840 -2.383 1.00 0.07 H new ATOM 0 HG13 ILE A 74 8.730 -2.581 -3.949 1.00 0.07 H new ATOM 0 HG21 ILE A 74 7.649 -3.820 -0.539 1.00 0.19 H new ATOM 0 HG22 ILE A 74 9.027 -4.931 -0.357 1.00 0.19 H new ATOM 0 HG23 ILE A 74 9.297 -3.172 -0.364 1.00 0.19 H new ATOM 0 HD11 ILE A 74 6.643 -1.484 -3.138 1.00 0.28 H new ATOM 0 HD12 ILE A 74 6.411 -3.244 -3.261 1.00 0.28 H new ATOM 0 HD13 ILE A 74 6.678 -2.491 -1.671 1.00 0.28 H new ATOM 1179 N ASP A 75 10.456 -6.674 -2.566 1.00 0.22 N ATOM 1180 CA ASP A 75 10.942 -7.985 -2.049 1.00 0.21 C ATOM 1181 C ASP A 75 12.479 -8.056 -2.170 1.00 0.20 C ATOM 1182 O ASP A 75 13.169 -8.714 -1.409 1.00 0.27 O ATOM 1183 CB ASP A 75 10.289 -9.060 -2.881 1.00 0.23 C ATOM 1184 CG ASP A 75 9.002 -9.579 -2.277 1.00 0.44 C ATOM 1185 OD1 ASP A 75 9.040 -9.879 -1.095 1.00 2.20 O ATOM 1186 OD2 ASP A 75 8.062 -9.646 -3.052 1.00 1.28 O ATOM 0 H ASP A 75 9.806 -6.724 -3.351 1.00 0.22 H new ATOM 0 HA ASP A 75 10.687 -8.115 -0.997 1.00 0.21 H new ATOM 0 HB2 ASP A 75 10.083 -8.666 -3.876 1.00 0.23 H new ATOM 0 HB3 ASP A 75 10.986 -9.889 -3.004 1.00 0.23 H new ATOM 1191 N LYS A 76 13.012 -7.348 -3.133 1.00 0.17 N ATOM 1192 CA LYS A 76 14.483 -7.376 -3.312 1.00 0.11 C ATOM 1193 C LYS A 76 15.013 -6.490 -2.198 1.00 0.12 C ATOM 1194 O LYS A 76 15.938 -6.907 -1.545 1.00 0.10 O ATOM 1195 CB LYS A 76 14.845 -6.841 -4.705 1.00 0.10 C ATOM 1196 CG LYS A 76 16.332 -7.218 -4.975 1.00 0.26 C ATOM 1197 CD LYS A 76 16.336 -8.731 -5.371 1.00 0.64 C ATOM 1198 CE LYS A 76 17.724 -9.333 -5.577 1.00 1.82 C ATOM 1199 NZ LYS A 76 18.342 -9.561 -4.237 1.00 2.93 N ATOM 0 H LYS A 76 12.497 -6.762 -3.790 1.00 0.17 H new ATOM 0 HA LYS A 76 14.912 -8.376 -3.256 1.00 0.11 H new ATOM 0 HB2 LYS A 76 14.195 -7.275 -5.464 1.00 0.10 H new ATOM 0 HB3 LYS A 76 14.709 -5.760 -4.749 1.00 0.10 H new ATOM 0 HG2 LYS A 76 16.749 -6.606 -5.774 1.00 0.26 H new ATOM 0 HG3 LYS A 76 16.944 -7.046 -4.089 1.00 0.26 H new ATOM 0 HD2 LYS A 76 15.821 -9.297 -4.595 1.00 0.64 H new ATOM 0 HD3 LYS A 76 15.762 -8.854 -6.289 1.00 0.64 H new ATOM 0 HE2 LYS A 76 17.653 -10.272 -6.126 1.00 1.82 H new ATOM 0 HE3 LYS A 76 18.344 -8.662 -6.171 1.00 1.82 H new ATOM 0 HZ1 LYS A 76 19.317 -9.199 -4.238 1.00 2.93 H new ATOM 0 HZ2 LYS A 76 17.789 -9.063 -3.510 1.00 2.93 H new ATOM 0 HZ3 LYS A 76 18.351 -10.580 -4.028 1.00 2.93 H new ATOM 1213 N VAL A 77 14.473 -5.311 -2.000 1.00 0.15 N ATOM 1214 CA VAL A 77 14.962 -4.432 -0.883 1.00 0.18 C ATOM 1215 C VAL A 77 14.960 -5.402 0.320 1.00 0.25 C ATOM 1216 O VAL A 77 15.949 -5.469 1.011 1.00 0.19 O ATOM 1217 CB VAL A 77 13.994 -3.247 -0.698 1.00 0.22 C ATOM 1218 CG1 VAL A 77 14.525 -2.441 0.518 1.00 0.40 C ATOM 1219 CG2 VAL A 77 14.107 -2.363 -1.985 1.00 0.20 C ATOM 0 H VAL A 77 13.717 -4.918 -2.560 1.00 0.15 H new ATOM 0 HA VAL A 77 15.940 -3.978 -1.042 1.00 0.18 H new ATOM 0 HB VAL A 77 12.962 -3.559 -0.541 1.00 0.22 H new ATOM 0 HG11 VAL A 77 13.876 -1.584 0.698 1.00 0.40 H new ATOM 0 HG12 VAL A 77 14.536 -3.080 1.401 1.00 0.40 H new ATOM 0 HG13 VAL A 77 15.536 -2.092 0.310 1.00 0.40 H new ATOM 0 HG21 VAL A 77 13.436 -1.508 -1.899 1.00 0.20 H new ATOM 0 HG22 VAL A 77 15.132 -2.010 -2.095 1.00 0.20 H new ATOM 0 HG23 VAL A 77 13.831 -2.954 -2.858 1.00 0.20 H new ATOM 1229 N GLU A 78 13.881 -6.110 0.571 1.00 0.38 N ATOM 1230 CA GLU A 78 13.854 -7.093 1.709 1.00 0.49 C ATOM 1231 C GLU A 78 15.107 -7.989 1.625 1.00 0.39 C ATOM 1232 O GLU A 78 15.914 -7.994 2.541 1.00 0.39 O ATOM 1233 CB GLU A 78 12.522 -7.872 1.570 1.00 0.78 C ATOM 1234 CG GLU A 78 11.542 -7.432 2.716 1.00 1.34 C ATOM 1235 CD GLU A 78 11.628 -5.920 2.916 1.00 1.45 C ATOM 1236 OE1 GLU A 78 11.244 -5.214 2.005 1.00 1.38 O ATOM 1237 OE2 GLU A 78 12.107 -5.611 3.996 1.00 1.68 O ATOM 0 H GLU A 78 13.015 -6.050 0.036 1.00 0.38 H new ATOM 0 HA GLU A 78 13.886 -6.624 2.692 1.00 0.49 H new ATOM 0 HB2 GLU A 78 12.073 -7.676 0.596 1.00 0.78 H new ATOM 0 HB3 GLU A 78 12.707 -8.945 1.626 1.00 0.78 H new ATOM 0 HG2 GLU A 78 10.521 -7.717 2.464 1.00 1.34 H new ATOM 0 HG3 GLU A 78 11.797 -7.946 3.643 1.00 1.34 H new ATOM 1244 N GLU A 79 15.222 -8.728 0.550 1.00 0.37 N ATOM 1245 CA GLU A 79 16.399 -9.621 0.326 1.00 0.39 C ATOM 1246 C GLU A 79 17.726 -8.947 0.717 1.00 0.36 C ATOM 1247 O GLU A 79 18.505 -9.451 1.497 1.00 0.44 O ATOM 1248 CB GLU A 79 16.518 -9.949 -1.122 1.00 0.36 C ATOM 1249 CG GLU A 79 15.894 -11.274 -1.548 1.00 0.95 C ATOM 1250 CD GLU A 79 16.455 -11.539 -2.943 1.00 3.23 C ATOM 1251 OE1 GLU A 79 17.658 -11.770 -2.931 1.00 4.80 O ATOM 1252 OE2 GLU A 79 15.711 -11.481 -3.900 1.00 4.58 O ATOM 0 H GLU A 79 14.531 -8.749 -0.200 1.00 0.37 H new ATOM 0 HA GLU A 79 16.231 -10.505 0.942 1.00 0.39 H new ATOM 0 HB2 GLU A 79 16.055 -9.148 -1.698 1.00 0.36 H new ATOM 0 HB3 GLU A 79 17.575 -9.963 -1.388 1.00 0.36 H new ATOM 0 HG2 GLU A 79 16.157 -12.075 -0.857 1.00 0.95 H new ATOM 0 HG3 GLU A 79 14.806 -11.212 -1.565 1.00 0.95 H new ATOM 1259 N LEU A 80 17.902 -7.807 0.108 1.00 0.26 N ATOM 1260 CA LEU A 80 19.094 -6.932 0.275 1.00 0.22 C ATOM 1261 C LEU A 80 19.254 -6.635 1.736 1.00 0.21 C ATOM 1262 O LEU A 80 20.247 -6.968 2.328 1.00 0.20 O ATOM 1263 CB LEU A 80 18.856 -5.650 -0.533 1.00 0.23 C ATOM 1264 CG LEU A 80 19.198 -5.884 -2.006 1.00 0.26 C ATOM 1265 CD1 LEU A 80 18.496 -4.832 -2.838 1.00 0.29 C ATOM 1266 CD2 LEU A 80 20.699 -5.617 -2.160 1.00 0.49 C ATOM 0 H LEU A 80 17.216 -7.425 -0.543 1.00 0.26 H new ATOM 0 HA LEU A 80 20.005 -7.410 -0.085 1.00 0.22 H new ATOM 0 HB2 LEU A 80 17.815 -5.339 -0.438 1.00 0.23 H new ATOM 0 HB3 LEU A 80 19.468 -4.841 -0.134 1.00 0.23 H new ATOM 0 HG LEU A 80 18.910 -6.889 -2.313 1.00 0.26 H new ATOM 0 HD11 LEU A 80 18.730 -4.985 -3.891 1.00 0.29 H new ATOM 0 HD12 LEU A 80 17.419 -4.910 -2.690 1.00 0.29 H new ATOM 0 HD13 LEU A 80 18.833 -3.842 -2.532 1.00 0.29 H new ATOM 0 HD21 LEU A 80 20.991 -5.772 -3.199 1.00 0.49 H new ATOM 0 HD22 LEU A 80 20.917 -4.589 -1.871 1.00 0.49 H new ATOM 0 HD23 LEU A 80 21.258 -6.300 -1.520 1.00 0.49 H new ATOM 1278 N LYS A 81 18.270 -6.000 2.297 1.00 0.33 N ATOM 1279 CA LYS A 81 18.252 -5.630 3.737 1.00 0.41 C ATOM 1280 C LYS A 81 18.727 -6.806 4.561 1.00 0.40 C ATOM 1281 O LYS A 81 19.702 -6.680 5.273 1.00 0.45 O ATOM 1282 CB LYS A 81 16.781 -5.186 4.010 1.00 0.75 C ATOM 1283 CG LYS A 81 16.397 -5.049 5.513 1.00 0.89 C ATOM 1284 CD LYS A 81 14.992 -4.337 5.541 1.00 1.71 C ATOM 1285 CE LYS A 81 14.369 -4.194 6.965 1.00 1.75 C ATOM 1286 NZ LYS A 81 15.254 -3.337 7.815 1.00 2.58 N ATOM 0 H LYS A 81 17.435 -5.708 1.790 1.00 0.33 H new ATOM 0 HA LYS A 81 18.927 -4.818 4.009 1.00 0.41 H new ATOM 0 HB2 LYS A 81 16.611 -4.228 3.519 1.00 0.75 H new ATOM 0 HB3 LYS A 81 16.109 -5.906 3.544 1.00 0.75 H new ATOM 0 HG2 LYS A 81 16.349 -6.026 5.994 1.00 0.89 H new ATOM 0 HG3 LYS A 81 17.141 -4.464 6.054 1.00 0.89 H new ATOM 0 HD2 LYS A 81 15.092 -3.345 5.100 1.00 1.71 H new ATOM 0 HD3 LYS A 81 14.302 -4.897 4.910 1.00 1.71 H new ATOM 0 HE2 LYS A 81 13.375 -3.752 6.896 1.00 1.75 H new ATOM 0 HE3 LYS A 81 14.250 -5.177 7.421 1.00 1.75 H new ATOM 0 HZ1 LYS A 81 14.679 -2.843 8.527 1.00 2.58 H new ATOM 0 HZ2 LYS A 81 15.959 -3.933 8.293 1.00 2.58 H new ATOM 0 HZ3 LYS A 81 15.740 -2.639 7.217 1.00 2.58 H new ATOM 1300 N LYS A 82 18.029 -7.905 4.460 1.00 0.41 N ATOM 1301 CA LYS A 82 18.438 -9.111 5.236 1.00 0.53 C ATOM 1302 C LYS A 82 19.917 -9.424 5.106 1.00 0.46 C ATOM 1303 O LYS A 82 20.597 -9.779 6.044 1.00 0.47 O ATOM 1304 CB LYS A 82 17.558 -10.263 4.747 1.00 0.69 C ATOM 1305 CG LYS A 82 16.129 -9.884 5.156 1.00 1.05 C ATOM 1306 CD LYS A 82 15.163 -11.000 4.779 1.00 1.56 C ATOM 1307 CE LYS A 82 13.764 -10.506 5.119 1.00 2.14 C ATOM 1308 NZ LYS A 82 12.819 -11.671 5.086 1.00 3.11 N ATOM 0 H LYS A 82 17.199 -8.020 3.878 1.00 0.41 H new ATOM 0 HA LYS A 82 18.294 -8.938 6.302 1.00 0.53 H new ATOM 0 HB2 LYS A 82 17.638 -10.388 3.667 1.00 0.69 H new ATOM 0 HB3 LYS A 82 17.859 -11.208 5.200 1.00 0.69 H new ATOM 0 HG2 LYS A 82 16.086 -9.703 6.230 1.00 1.05 H new ATOM 0 HG3 LYS A 82 15.835 -8.957 4.664 1.00 1.05 H new ATOM 0 HD2 LYS A 82 15.242 -11.237 3.718 1.00 1.56 H new ATOM 0 HD3 LYS A 82 15.394 -11.913 5.328 1.00 1.56 H new ATOM 0 HE2 LYS A 82 13.757 -10.042 6.105 1.00 2.14 H new ATOM 0 HE3 LYS A 82 13.449 -9.744 4.406 1.00 2.14 H new ATOM 0 HZ1 LYS A 82 11.859 -11.346 5.317 1.00 3.11 H new ATOM 0 HZ2 LYS A 82 12.822 -12.094 4.136 1.00 3.11 H new ATOM 0 HZ3 LYS A 82 13.120 -12.382 5.782 1.00 3.11 H new ATOM 1322 N LYS A 83 20.335 -9.276 3.893 1.00 0.42 N ATOM 1323 CA LYS A 83 21.761 -9.517 3.489 1.00 0.40 C ATOM 1324 C LYS A 83 22.785 -8.459 3.945 1.00 0.46 C ATOM 1325 O LYS A 83 23.852 -8.808 4.397 1.00 0.58 O ATOM 1326 CB LYS A 83 21.866 -9.592 1.949 1.00 0.27 C ATOM 1327 CG LYS A 83 21.083 -10.753 1.337 1.00 0.39 C ATOM 1328 CD LYS A 83 20.835 -10.371 -0.152 1.00 0.44 C ATOM 1329 CE LYS A 83 20.184 -11.497 -0.937 1.00 0.45 C ATOM 1330 NZ LYS A 83 18.805 -11.666 -0.392 1.00 3.06 N ATOM 0 H LYS A 83 19.732 -8.986 3.123 1.00 0.42 H new ATOM 0 HA LYS A 83 22.015 -10.449 3.993 1.00 0.40 H new ATOM 0 HB2 LYS A 83 21.504 -8.656 1.523 1.00 0.27 H new ATOM 0 HB3 LYS A 83 22.915 -9.685 1.669 1.00 0.27 H new ATOM 0 HG2 LYS A 83 21.645 -11.684 1.412 1.00 0.39 H new ATOM 0 HG3 LYS A 83 20.140 -10.907 1.862 1.00 0.39 H new ATOM 0 HD2 LYS A 83 20.200 -9.486 -0.197 1.00 0.44 H new ATOM 0 HD3 LYS A 83 21.784 -10.107 -0.619 1.00 0.44 H new ATOM 0 HE2 LYS A 83 20.152 -11.258 -2.000 1.00 0.45 H new ATOM 0 HE3 LYS A 83 20.755 -12.420 -0.834 1.00 0.45 H new ATOM 0 HZ1 LYS A 83 18.716 -12.607 0.041 1.00 3.06 H new ATOM 0 HZ2 LYS A 83 18.624 -10.936 0.326 1.00 3.06 H new ATOM 0 HZ3 LYS A 83 18.113 -11.573 -1.163 1.00 3.06 H new ATOM 1344 N TYR A 84 22.449 -7.207 3.826 1.00 0.46 N ATOM 1345 CA TYR A 84 23.360 -6.097 4.206 1.00 0.67 C ATOM 1346 C TYR A 84 23.199 -5.379 5.539 1.00 1.31 C ATOM 1347 O TYR A 84 24.152 -4.716 5.902 1.00 2.84 O ATOM 1348 CB TYR A 84 23.293 -5.102 3.006 1.00 0.63 C ATOM 1349 CG TYR A 84 23.799 -5.841 1.751 1.00 0.41 C ATOM 1350 CD1 TYR A 84 25.150 -5.970 1.497 1.00 2.25 C ATOM 1351 CD2 TYR A 84 22.908 -6.413 0.864 1.00 2.51 C ATOM 1352 CE1 TYR A 84 25.589 -6.659 0.381 1.00 2.26 C ATOM 1353 CE2 TYR A 84 23.349 -7.100 -0.249 1.00 2.47 C ATOM 1354 CZ TYR A 84 24.690 -7.222 -0.489 1.00 0.27 C ATOM 1355 OH TYR A 84 25.135 -7.902 -1.599 1.00 0.33 O ATOM 0 H TYR A 84 21.546 -6.898 3.467 1.00 0.46 H new ATOM 0 HA TYR A 84 24.329 -6.558 4.396 1.00 0.67 H new ATOM 0 HB2 TYR A 84 22.272 -4.752 2.857 1.00 0.63 H new ATOM 0 HB3 TYR A 84 23.906 -4.223 3.204 1.00 0.63 H new ATOM 0 HD1 TYR A 84 25.868 -5.530 2.174 1.00 2.25 H new ATOM 0 HD2 TYR A 84 21.847 -6.321 1.045 1.00 2.51 H new ATOM 0 HE1 TYR A 84 26.648 -6.755 0.193 1.00 2.26 H new ATOM 0 HE2 TYR A 84 22.636 -7.541 -0.930 1.00 2.47 H new ATOM 0 HH TYR A 84 24.385 -8.378 -2.014 1.00 0.33 H new ATOM 1365 N GLY A 85 22.099 -5.469 6.250 1.00 0.41 N ATOM 1366 CA GLY A 85 22.070 -4.715 7.567 1.00 1.23 C ATOM 1367 C GLY A 85 21.261 -3.447 7.807 1.00 0.71 C ATOM 1368 O GLY A 85 21.770 -2.545 8.441 1.00 1.14 O ATOM 0 H GLY A 85 21.261 -5.996 6.005 1.00 0.41 H new ATOM 0 HA2 GLY A 85 21.743 -5.432 8.320 1.00 1.23 H new ATOM 0 HA3 GLY A 85 23.105 -4.463 7.796 1.00 1.23 H new ATOM 1372 N ILE A 86 20.056 -3.372 7.318 1.00 0.23 N ATOM 1373 CA ILE A 86 19.220 -2.145 7.547 1.00 0.71 C ATOM 1374 C ILE A 86 17.871 -2.592 8.176 1.00 1.44 C ATOM 1375 O ILE A 86 17.666 -3.788 8.306 1.00 1.37 O ATOM 1376 CB ILE A 86 19.078 -1.422 6.144 1.00 0.39 C ATOM 1377 CG1 ILE A 86 18.140 -0.187 6.273 1.00 0.89 C ATOM 1378 CG2 ILE A 86 18.461 -2.364 5.107 1.00 0.71 C ATOM 1379 CD1 ILE A 86 18.154 0.708 5.001 1.00 0.54 C ATOM 1380 OXT ILE A 86 17.055 -1.754 8.515 1.00 2.29 O ATOM 0 H ILE A 86 19.607 -4.104 6.768 1.00 0.23 H new ATOM 0 HA ILE A 86 19.661 -1.432 8.243 1.00 0.71 H new ATOM 0 HB ILE A 86 20.076 -1.119 5.827 1.00 0.39 H new ATOM 0 HG12 ILE A 86 17.122 -0.527 6.463 1.00 0.89 H new ATOM 0 HG13 ILE A 86 18.444 0.407 7.135 1.00 0.89 H new ATOM 0 HG21 ILE A 86 18.373 -1.846 4.152 1.00 0.71 H new ATOM 0 HG22 ILE A 86 19.098 -3.241 4.987 1.00 0.71 H new ATOM 0 HG23 ILE A 86 17.472 -2.677 5.442 1.00 0.71 H new ATOM 0 HD11 ILE A 86 17.483 1.555 5.145 1.00 0.54 H new ATOM 0 HD12 ILE A 86 19.166 1.073 4.824 1.00 0.54 H new ATOM 0 HD13 ILE A 86 17.823 0.124 4.142 1.00 0.54 H new