USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 537 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 8 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 37 ASN : amide:sc= -2.5! C(o=-1.3!,f=-8.2!) USER MOD Set 1.3: A 39 LYS NZ :NH3+ -164:sc= 1.24 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= 1.29 (180deg=1.21) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 1.11 (180deg=1.08) USER MOD Single : A 7 LYS NZ :NH3+ 142:sc= -2.58! (180deg=-4.27!) USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= -0.599 (180deg=-0.713) USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= 1.14 (180deg=0.811) USER MOD Single : A 17 THR OG1 : rot -156:sc= 1.32 USER MOD Single : A 18 SER OG : rot 90:sc= 1.22 USER MOD Single : A 19 LYS NZ :NH3+ 142:sc= 1.11 (180deg=0.252) USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= 1.23 (180deg=0.85) USER MOD Single : A 22 LYS NZ :NH3+ 162:sc= -0.0686 (180deg=-0.372) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 43:sc= 0.32 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0133 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -167:sc= 0 (180deg=-0.172) USER MOD Single : A 65 LYS NZ :NH3+ -106:sc= -1.41 (180deg=-3.87!) USER MOD Single : A 66 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.25) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -4.476 -7.796 -1.761 1.00 1.32 N ATOM 37 CA LYS A 3 -4.742 -6.368 -1.769 1.00 1.00 C ATOM 38 C LYS A 3 -4.555 -5.809 -0.374 1.00 1.03 C ATOM 39 O LYS A 3 -5.446 -5.917 0.463 1.00 1.56 O ATOM 40 CB LYS A 3 -6.153 -6.048 -2.251 1.00 1.17 C ATOM 41 CG LYS A 3 -6.416 -6.406 -3.703 1.00 1.44 C ATOM 42 CD LYS A 3 -7.411 -5.442 -4.332 1.00 1.73 C ATOM 43 CE LYS A 3 -8.645 -5.262 -3.465 1.00 2.34 C ATOM 44 NZ LYS A 3 -9.550 -4.211 -3.995 1.00 3.09 N ATOM 0 HA LYS A 3 -4.039 -5.908 -2.463 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -6.868 -6.580 -1.623 1.00 1.17 H new ATOM 0 HB3 LYS A 3 -6.338 -4.983 -2.113 1.00 1.17 H new ATOM 0 HG2 LYS A 3 -5.480 -6.384 -4.262 1.00 1.44 H new ATOM 0 HG3 LYS A 3 -6.801 -7.424 -3.766 1.00 1.44 H new ATOM 0 HD2 LYS A 3 -6.932 -4.475 -4.488 1.00 1.73 H new ATOM 0 HD3 LYS A 3 -7.707 -5.813 -5.313 1.00 1.73 H new ATOM 0 HE2 LYS A 3 -9.185 -6.207 -3.402 1.00 2.34 H new ATOM 0 HE3 LYS A 3 -8.341 -5.001 -2.451 1.00 2.34 H new ATOM 0 HZ1 LYS A 3 -10.425 -4.191 -3.433 1.00 3.09 H new ATOM 0 HZ2 LYS A 3 -9.079 -3.286 -3.936 1.00 3.09 H new ATOM 0 HZ3 LYS A 3 -9.781 -4.420 -4.987 1.00 3.09 H new ATOM 58 N VAL A 4 -3.373 -5.264 -0.125 1.00 0.84 N ATOM 59 CA VAL A 4 -3.051 -4.672 1.166 1.00 0.90 C ATOM 60 C VAL A 4 -3.080 -5.760 2.240 1.00 0.82 C ATOM 61 O VAL A 4 -3.963 -5.806 3.099 1.00 0.85 O ATOM 62 CB VAL A 4 -4.009 -3.516 1.547 1.00 1.06 C ATOM 63 CG1 VAL A 4 -3.549 -2.829 2.824 1.00 1.46 C ATOM 64 CG2 VAL A 4 -4.111 -2.507 0.415 1.00 1.31 C ATOM 0 H VAL A 4 -2.615 -5.219 -0.806 1.00 0.84 H new ATOM 0 HA VAL A 4 -2.053 -4.240 1.094 1.00 0.90 H new ATOM 0 HB VAL A 4 -4.996 -3.943 1.722 1.00 1.06 H new ATOM 0 HG11 VAL A 4 -4.238 -2.021 3.071 1.00 1.46 H new ATOM 0 HG12 VAL A 4 -3.530 -3.552 3.640 1.00 1.46 H new ATOM 0 HG13 VAL A 4 -2.549 -2.421 2.678 1.00 1.46 H new ATOM 0 HG21 VAL A 4 -4.789 -1.704 0.704 1.00 1.31 H new ATOM 0 HG22 VAL A 4 -3.125 -2.092 0.207 1.00 1.31 H new ATOM 0 HG23 VAL A 4 -4.493 -3.000 -0.479 1.00 1.31 H new ATOM 74 N LYS A 5 -2.106 -6.650 2.150 1.00 0.79 N ATOM 75 CA LYS A 5 -1.979 -7.748 3.085 1.00 0.77 C ATOM 76 C LYS A 5 -0.862 -7.456 4.070 1.00 0.78 C ATOM 77 O LYS A 5 0.169 -6.889 3.708 1.00 1.45 O ATOM 78 CB LYS A 5 -1.762 -9.081 2.342 1.00 0.93 C ATOM 79 CG LYS A 5 -0.750 -9.027 1.203 1.00 1.38 C ATOM 80 CD LYS A 5 0.684 -9.211 1.686 1.00 1.91 C ATOM 81 CE LYS A 5 0.895 -10.580 2.321 1.00 2.43 C ATOM 82 NZ LYS A 5 2.333 -10.862 2.577 1.00 2.70 N ATOM 0 H LYS A 5 -1.385 -6.630 1.429 1.00 0.79 H new ATOM 0 HA LYS A 5 -2.907 -7.849 3.648 1.00 0.77 H new ATOM 0 HB2 LYS A 5 -1.436 -9.832 3.062 1.00 0.93 H new ATOM 0 HB3 LYS A 5 -2.719 -9.417 1.942 1.00 0.93 H new ATOM 0 HG2 LYS A 5 -0.987 -9.802 0.474 1.00 1.38 H new ATOM 0 HG3 LYS A 5 -0.837 -8.069 0.689 1.00 1.38 H new ATOM 0 HD2 LYS A 5 1.369 -9.090 0.847 1.00 1.91 H new ATOM 0 HD3 LYS A 5 0.927 -8.433 2.410 1.00 1.91 H new ATOM 0 HE2 LYS A 5 0.343 -10.633 3.259 1.00 2.43 H new ATOM 0 HE3 LYS A 5 0.486 -11.350 1.667 1.00 2.43 H new ATOM 0 HZ1 LYS A 5 2.439 -11.835 2.930 1.00 2.70 H new ATOM 0 HZ2 LYS A 5 2.871 -10.754 1.693 1.00 2.70 H new ATOM 0 HZ3 LYS A 5 2.697 -10.195 3.287 1.00 2.70 H new ATOM 96 N PHE A 6 -1.085 -7.828 5.313 1.00 0.58 N ATOM 97 CA PHE A 6 -0.180 -7.497 6.396 1.00 0.57 C ATOM 98 C PHE A 6 -0.433 -8.460 7.542 1.00 0.58 C ATOM 99 O PHE A 6 -1.144 -9.449 7.377 1.00 0.85 O ATOM 100 CB PHE A 6 -0.412 -6.043 6.848 1.00 0.59 C ATOM 101 CG PHE A 6 -1.795 -5.775 7.390 1.00 0.58 C ATOM 102 CD1 PHE A 6 -2.897 -5.745 6.547 1.00 0.60 C ATOM 103 CD2 PHE A 6 -1.989 -5.551 8.741 1.00 0.65 C ATOM 104 CE1 PHE A 6 -4.161 -5.506 7.045 1.00 0.65 C ATOM 105 CE2 PHE A 6 -3.253 -5.308 9.244 1.00 0.70 C ATOM 106 CZ PHE A 6 -4.340 -5.286 8.394 1.00 0.67 C ATOM 0 H PHE A 6 -1.900 -8.369 5.602 1.00 0.58 H new ATOM 0 HA PHE A 6 0.855 -7.586 6.065 1.00 0.57 H new ATOM 0 HB2 PHE A 6 0.321 -5.792 7.614 1.00 0.59 H new ATOM 0 HB3 PHE A 6 -0.230 -5.379 6.003 1.00 0.59 H new ATOM 0 HD1 PHE A 6 -2.763 -5.911 5.488 1.00 0.60 H new ATOM 0 HD2 PHE A 6 -1.142 -5.566 9.411 1.00 0.65 H new ATOM 0 HE1 PHE A 6 -5.010 -5.491 6.378 1.00 0.65 H new ATOM 0 HE2 PHE A 6 -3.390 -5.135 10.301 1.00 0.70 H new ATOM 0 HZ PHE A 6 -5.329 -5.097 8.785 1.00 0.67 H new ATOM 116 N LYS A 7 0.138 -8.181 8.698 1.00 0.53 N ATOM 117 CA LYS A 7 -0.117 -8.997 9.868 1.00 0.57 C ATOM 118 C LYS A 7 -0.787 -8.170 10.953 1.00 0.59 C ATOM 119 O LYS A 7 -0.328 -7.078 11.289 1.00 0.63 O ATOM 120 CB LYS A 7 1.168 -9.650 10.406 1.00 0.70 C ATOM 121 CG LYS A 7 2.331 -8.692 10.632 1.00 1.34 C ATOM 122 CD LYS A 7 3.176 -8.499 9.374 1.00 1.71 C ATOM 123 CE LYS A 7 4.045 -9.716 9.064 1.00 2.66 C ATOM 124 NZ LYS A 7 3.259 -10.867 8.541 1.00 3.64 N ATOM 0 H LYS A 7 0.777 -7.401 8.851 1.00 0.53 H new ATOM 0 HA LYS A 7 -0.789 -9.801 9.566 1.00 0.57 H new ATOM 0 HB2 LYS A 7 0.938 -10.147 11.348 1.00 0.70 H new ATOM 0 HB3 LYS A 7 1.485 -10.424 9.707 1.00 0.70 H new ATOM 0 HG2 LYS A 7 1.945 -7.727 10.959 1.00 1.34 H new ATOM 0 HG3 LYS A 7 2.961 -9.073 11.436 1.00 1.34 H new ATOM 0 HD2 LYS A 7 2.520 -8.299 8.527 1.00 1.71 H new ATOM 0 HD3 LYS A 7 3.813 -7.623 9.498 1.00 1.71 H new ATOM 0 HE2 LYS A 7 4.804 -9.438 8.333 1.00 2.66 H new ATOM 0 HE3 LYS A 7 4.570 -10.022 9.969 1.00 2.66 H new ATOM 0 HZ1 LYS A 7 3.804 -11.351 7.800 1.00 3.64 H new ATOM 0 HZ2 LYS A 7 3.061 -11.532 9.315 1.00 3.64 H new ATOM 0 HZ3 LYS A 7 2.362 -10.523 8.142 1.00 3.64 H new ATOM 138 N TYR A 8 -1.878 -8.697 11.490 1.00 0.61 N ATOM 139 CA TYR A 8 -2.602 -8.044 12.562 1.00 0.67 C ATOM 140 C TYR A 8 -3.128 -9.109 13.524 1.00 0.85 C ATOM 141 O TYR A 8 -3.465 -10.216 13.101 1.00 0.86 O ATOM 142 CB TYR A 8 -3.744 -7.195 12.001 1.00 0.63 C ATOM 143 CG TYR A 8 -4.243 -6.135 12.957 1.00 0.71 C ATOM 144 CD1 TYR A 8 -3.358 -5.272 13.589 1.00 0.88 C ATOM 145 CD2 TYR A 8 -5.596 -5.996 13.230 1.00 0.82 C ATOM 146 CE1 TYR A 8 -3.807 -4.304 14.465 1.00 1.03 C ATOM 147 CE2 TYR A 8 -6.053 -5.030 14.104 1.00 0.97 C ATOM 148 CZ TYR A 8 -5.153 -4.187 14.719 1.00 1.03 C ATOM 149 OH TYR A 8 -5.601 -3.220 15.590 1.00 1.23 O ATOM 0 H TYR A 8 -2.282 -9.586 11.194 1.00 0.61 H new ATOM 0 HA TYR A 8 -1.933 -7.374 13.102 1.00 0.67 H new ATOM 0 HB2 TYR A 8 -3.409 -6.714 11.082 1.00 0.63 H new ATOM 0 HB3 TYR A 8 -4.574 -7.850 11.734 1.00 0.63 H new ATOM 0 HD1 TYR A 8 -2.300 -5.359 13.392 1.00 0.88 H new ATOM 0 HD2 TYR A 8 -6.304 -6.655 12.750 1.00 0.82 H new ATOM 0 HE1 TYR A 8 -3.104 -3.642 14.948 1.00 1.03 H new ATOM 0 HE2 TYR A 8 -7.110 -4.936 14.305 1.00 0.97 H new ATOM 0 HH TYR A 8 -6.577 -3.269 15.659 1.00 1.23 H new ATOM 159 N LYS A 9 -3.154 -8.773 14.813 1.00 1.11 N ATOM 160 CA LYS A 9 -3.520 -9.704 15.893 1.00 1.36 C ATOM 161 C LYS A 9 -2.447 -10.775 16.116 1.00 1.30 C ATOM 162 O LYS A 9 -2.463 -11.467 17.131 1.00 1.73 O ATOM 163 CB LYS A 9 -4.876 -10.394 15.658 1.00 1.70 C ATOM 164 CG LYS A 9 -6.083 -9.494 15.872 1.00 1.73 C ATOM 165 CD LYS A 9 -6.500 -8.800 14.592 1.00 2.19 C ATOM 166 CE LYS A 9 -7.536 -9.606 13.818 1.00 2.65 C ATOM 167 NZ LYS A 9 -7.046 -10.956 13.426 1.00 2.90 N ATOM 0 H LYS A 9 -2.920 -7.838 15.146 1.00 1.11 H new ATOM 0 HA LYS A 9 -3.602 -9.084 16.786 1.00 1.36 H new ATOM 0 HB2 LYS A 9 -4.902 -10.780 14.639 1.00 1.70 H new ATOM 0 HB3 LYS A 9 -4.954 -11.252 16.326 1.00 1.70 H new ATOM 0 HG2 LYS A 9 -6.915 -10.086 16.252 1.00 1.73 H new ATOM 0 HG3 LYS A 9 -5.850 -8.747 16.631 1.00 1.73 H new ATOM 0 HD2 LYS A 9 -6.908 -7.817 14.829 1.00 2.19 H new ATOM 0 HD3 LYS A 9 -5.623 -8.639 13.965 1.00 2.19 H new ATOM 0 HE2 LYS A 9 -8.434 -9.714 14.427 1.00 2.65 H new ATOM 0 HE3 LYS A 9 -7.822 -9.055 12.922 1.00 2.65 H new ATOM 0 HZ1 LYS A 9 -7.702 -11.377 12.737 1.00 2.90 H new ATOM 0 HZ2 LYS A 9 -6.102 -10.872 12.998 1.00 2.90 H new ATOM 0 HZ3 LYS A 9 -6.991 -11.564 14.268 1.00 2.90 H new ATOM 181 N GLY A 10 -1.516 -10.903 15.180 1.00 1.10 N ATOM 182 CA GLY A 10 -0.508 -11.941 15.278 1.00 1.12 C ATOM 183 C GLY A 10 -0.546 -12.901 14.106 1.00 0.98 C ATOM 184 O GLY A 10 0.167 -13.902 14.097 1.00 1.11 O ATOM 0 H GLY A 10 -1.440 -10.307 14.355 1.00 1.10 H new ATOM 0 HA2 GLY A 10 0.478 -11.481 15.334 1.00 1.12 H new ATOM 0 HA3 GLY A 10 -0.653 -12.497 16.204 1.00 1.12 H new ATOM 188 N GLU A 11 -1.383 -12.597 13.122 1.00 0.95 N ATOM 189 CA GLU A 11 -1.476 -13.400 11.907 1.00 1.20 C ATOM 190 C GLU A 11 -1.766 -12.504 10.715 1.00 1.00 C ATOM 191 O GLU A 11 -1.918 -11.296 10.873 1.00 1.38 O ATOM 192 CB GLU A 11 -2.551 -14.482 12.038 1.00 1.69 C ATOM 193 CG GLU A 11 -1.983 -15.859 12.353 1.00 2.37 C ATOM 194 CD GLU A 11 -1.156 -16.421 11.211 1.00 3.21 C ATOM 195 OE1 GLU A 11 0.037 -16.063 11.104 1.00 3.81 O ATOM 196 OE2 GLU A 11 -1.689 -17.230 10.421 1.00 3.60 O ATOM 0 H GLU A 11 -2.012 -11.794 13.142 1.00 0.95 H new ATOM 0 HA GLU A 11 -0.520 -13.900 11.753 1.00 1.20 H new ATOM 0 HB2 GLU A 11 -3.250 -14.196 12.824 1.00 1.69 H new ATOM 0 HB3 GLU A 11 -3.119 -14.535 11.109 1.00 1.69 H new ATOM 0 HG2 GLU A 11 -1.365 -15.798 13.249 1.00 2.37 H new ATOM 0 HG3 GLU A 11 -2.801 -16.544 12.576 1.00 2.37 H new ATOM 203 N GLU A 12 -1.868 -13.093 9.537 1.00 0.98 N ATOM 204 CA GLU A 12 -2.009 -12.301 8.323 1.00 0.87 C ATOM 205 C GLU A 12 -3.447 -11.849 8.117 1.00 0.79 C ATOM 206 O GLU A 12 -4.398 -12.598 8.352 1.00 0.89 O ATOM 207 CB GLU A 12 -1.498 -13.051 7.097 1.00 1.13 C ATOM 208 CG GLU A 12 0.005 -13.283 7.124 1.00 1.80 C ATOM 209 CD GLU A 12 0.590 -13.476 5.744 1.00 2.11 C ATOM 210 OE1 GLU A 12 0.363 -14.550 5.145 1.00 2.30 O ATOM 211 OE2 GLU A 12 1.275 -12.558 5.247 1.00 2.43 O ATOM 0 H GLU A 12 -1.856 -14.103 9.393 1.00 0.98 H new ATOM 0 HA GLU A 12 -1.391 -11.412 8.450 1.00 0.87 H new ATOM 0 HB2 GLU A 12 -2.007 -14.012 7.028 1.00 1.13 H new ATOM 0 HB3 GLU A 12 -1.757 -12.488 6.200 1.00 1.13 H new ATOM 0 HG2 GLU A 12 0.491 -12.434 7.605 1.00 1.80 H new ATOM 0 HG3 GLU A 12 0.222 -14.161 7.732 1.00 1.80 H new ATOM 218 N LYS A 13 -3.578 -10.604 7.702 1.00 0.71 N ATOM 219 CA LYS A 13 -4.867 -9.961 7.530 1.00 0.75 C ATOM 220 C LYS A 13 -4.858 -9.112 6.256 1.00 0.73 C ATOM 221 O LYS A 13 -3.802 -8.647 5.834 1.00 1.21 O ATOM 222 CB LYS A 13 -5.158 -9.121 8.784 1.00 0.96 C ATOM 223 CG LYS A 13 -6.333 -8.171 8.663 1.00 0.86 C ATOM 224 CD LYS A 13 -6.740 -7.610 10.015 1.00 1.44 C ATOM 225 CE LYS A 13 -7.997 -6.759 9.916 1.00 2.02 C ATOM 226 NZ LYS A 13 -9.181 -7.560 9.505 1.00 2.73 N ATOM 0 H LYS A 13 -2.785 -10.004 7.472 1.00 0.71 H new ATOM 0 HA LYS A 13 -5.660 -10.700 7.415 1.00 0.75 H new ATOM 0 HB2 LYS A 13 -5.341 -9.796 9.620 1.00 0.96 H new ATOM 0 HB3 LYS A 13 -4.267 -8.543 9.030 1.00 0.96 H new ATOM 0 HG2 LYS A 13 -6.072 -7.352 7.992 1.00 0.86 H new ATOM 0 HG3 LYS A 13 -7.179 -8.693 8.215 1.00 0.86 H new ATOM 0 HD2 LYS A 13 -6.910 -8.430 10.713 1.00 1.44 H new ATOM 0 HD3 LYS A 13 -5.925 -7.010 10.420 1.00 1.44 H new ATOM 0 HE2 LYS A 13 -8.194 -6.289 10.880 1.00 2.02 H new ATOM 0 HE3 LYS A 13 -7.835 -5.956 9.197 1.00 2.02 H new ATOM 0 HZ1 LYS A 13 -10.049 -7.025 9.708 1.00 2.73 H new ATOM 0 HZ2 LYS A 13 -9.128 -7.761 8.486 1.00 2.73 H new ATOM 0 HZ3 LYS A 13 -9.195 -8.455 10.034 1.00 2.73 H new ATOM 240 N GLU A 14 -6.025 -8.937 5.640 1.00 0.55 N ATOM 241 CA GLU A 14 -6.146 -8.134 4.424 1.00 0.54 C ATOM 242 C GLU A 14 -7.141 -7.005 4.634 1.00 0.65 C ATOM 243 O GLU A 14 -8.091 -7.141 5.408 1.00 0.88 O ATOM 244 CB GLU A 14 -6.629 -8.977 3.239 1.00 0.60 C ATOM 245 CG GLU A 14 -5.669 -10.055 2.774 1.00 1.38 C ATOM 246 CD GLU A 14 -6.232 -10.832 1.600 1.00 1.90 C ATOM 247 OE1 GLU A 14 -7.086 -11.719 1.827 1.00 2.39 O ATOM 248 OE2 GLU A 14 -5.854 -10.543 0.442 1.00 2.38 O ATOM 0 H GLU A 14 -6.903 -9.342 5.964 1.00 0.55 H new ATOM 0 HA GLU A 14 -5.155 -7.736 4.205 1.00 0.54 H new ATOM 0 HB2 GLU A 14 -7.574 -9.448 3.511 1.00 0.60 H new ATOM 0 HB3 GLU A 14 -6.835 -8.311 2.401 1.00 0.60 H new ATOM 0 HG2 GLU A 14 -4.720 -9.600 2.489 1.00 1.38 H new ATOM 0 HG3 GLU A 14 -5.461 -10.738 3.597 1.00 1.38 H new ATOM 255 N VAL A 15 -6.920 -5.901 3.945 1.00 0.68 N ATOM 256 CA VAL A 15 -7.853 -4.781 3.954 1.00 0.82 C ATOM 257 C VAL A 15 -8.053 -4.265 2.535 1.00 0.72 C ATOM 258 O VAL A 15 -7.088 -4.062 1.806 1.00 1.19 O ATOM 259 CB VAL A 15 -7.357 -3.627 4.859 1.00 1.20 C ATOM 260 CG1 VAL A 15 -8.309 -2.442 4.795 1.00 1.53 C ATOM 261 CG2 VAL A 15 -7.200 -4.095 6.296 1.00 2.11 C ATOM 0 H VAL A 15 -6.094 -5.752 3.365 1.00 0.68 H new ATOM 0 HA VAL A 15 -8.799 -5.142 4.357 1.00 0.82 H new ATOM 0 HB VAL A 15 -6.382 -3.309 4.490 1.00 1.20 H new ATOM 0 HG11 VAL A 15 -7.940 -1.644 5.439 1.00 1.53 H new ATOM 0 HG12 VAL A 15 -8.372 -2.081 3.769 1.00 1.53 H new ATOM 0 HG13 VAL A 15 -9.298 -2.752 5.132 1.00 1.53 H new ATOM 0 HG21 VAL A 15 -6.851 -3.267 6.912 1.00 2.11 H new ATOM 0 HG22 VAL A 15 -8.161 -4.446 6.671 1.00 2.11 H new ATOM 0 HG23 VAL A 15 -6.475 -4.908 6.337 1.00 2.11 H new ATOM 271 N ASP A 16 -9.305 -4.054 2.144 1.00 0.76 N ATOM 272 CA ASP A 16 -9.596 -3.550 0.809 1.00 0.98 C ATOM 273 C ASP A 16 -9.186 -2.088 0.711 1.00 0.91 C ATOM 274 O ASP A 16 -9.333 -1.328 1.669 1.00 1.57 O ATOM 275 CB ASP A 16 -11.079 -3.703 0.464 1.00 1.33 C ATOM 276 CG ASP A 16 -11.406 -3.137 -0.907 1.00 1.87 C ATOM 277 OD1 ASP A 16 -11.184 -3.842 -1.911 1.00 2.08 O ATOM 278 OD2 ASP A 16 -11.895 -1.989 -0.985 1.00 2.64 O ATOM 0 H ASP A 16 -10.126 -4.222 2.726 1.00 0.76 H new ATOM 0 HA ASP A 16 -9.024 -4.139 0.092 1.00 0.98 H new ATOM 0 HB2 ASP A 16 -11.351 -4.758 0.495 1.00 1.33 H new ATOM 0 HB3 ASP A 16 -11.681 -3.196 1.218 1.00 1.33 H new ATOM 283 N THR A 17 -8.698 -1.704 -0.457 1.00 0.98 N ATOM 284 CA THR A 17 -8.047 -0.421 -0.640 1.00 0.92 C ATOM 285 C THR A 17 -9.032 0.745 -0.569 1.00 0.85 C ATOM 286 O THR A 17 -8.627 1.910 -0.554 1.00 1.17 O ATOM 287 CB THR A 17 -7.313 -0.400 -1.989 1.00 1.36 C ATOM 288 OG1 THR A 17 -6.945 -1.742 -2.347 1.00 1.66 O ATOM 289 CG2 THR A 17 -6.062 0.465 -1.915 1.00 1.86 C ATOM 0 H THR A 17 -8.743 -2.273 -1.302 1.00 0.98 H new ATOM 0 HA THR A 17 -7.335 -0.296 0.176 1.00 0.92 H new ATOM 0 HB THR A 17 -7.979 0.022 -2.742 1.00 1.36 H new ATOM 0 HG1 THR A 17 -6.184 -1.719 -2.964 1.00 1.66 H new ATOM 0 HG21 THR A 17 -5.561 0.463 -2.883 1.00 1.86 H new ATOM 0 HG22 THR A 17 -6.340 1.486 -1.652 1.00 1.86 H new ATOM 0 HG23 THR A 17 -5.388 0.066 -1.157 1.00 1.86 H new ATOM 297 N SER A 18 -10.324 0.446 -0.563 1.00 0.73 N ATOM 298 CA SER A 18 -11.319 1.473 -0.312 1.00 0.86 C ATOM 299 C SER A 18 -11.318 1.858 1.165 1.00 0.82 C ATOM 300 O SER A 18 -11.484 3.031 1.514 1.00 1.13 O ATOM 301 CB SER A 18 -12.703 0.972 -0.719 1.00 1.16 C ATOM 302 OG SER A 18 -12.655 0.328 -1.981 1.00 1.81 O ATOM 0 H SER A 18 -10.702 -0.487 -0.727 1.00 0.73 H new ATOM 0 HA SER A 18 -11.071 2.353 -0.906 1.00 0.86 H new ATOM 0 HB2 SER A 18 -13.080 0.279 0.034 1.00 1.16 H new ATOM 0 HB3 SER A 18 -13.400 1.809 -0.759 1.00 1.16 H new ATOM 0 HG SER A 18 -12.471 -0.626 -1.855 1.00 1.81 H new ATOM 308 N LYS A 19 -11.112 0.877 2.034 1.00 0.68 N ATOM 309 CA LYS A 19 -11.111 1.109 3.467 1.00 0.75 C ATOM 310 C LYS A 19 -9.694 1.325 3.974 1.00 0.68 C ATOM 311 O LYS A 19 -9.251 0.649 4.901 1.00 1.06 O ATOM 312 CB LYS A 19 -11.733 -0.081 4.205 1.00 0.99 C ATOM 313 CG LYS A 19 -13.158 -0.402 3.789 1.00 1.25 C ATOM 314 CD LYS A 19 -13.689 -1.619 4.536 1.00 1.92 C ATOM 315 CE LYS A 19 -12.832 -2.848 4.276 1.00 2.22 C ATOM 316 NZ LYS A 19 -13.343 -4.056 4.979 1.00 3.07 N ATOM 0 H LYS A 19 -10.943 -0.092 1.766 1.00 0.68 H new ATOM 0 HA LYS A 19 -11.703 2.004 3.661 1.00 0.75 H new ATOM 0 HB2 LYS A 19 -11.112 -0.961 4.039 1.00 0.99 H new ATOM 0 HB3 LYS A 19 -11.717 0.122 5.276 1.00 0.99 H new ATOM 0 HG2 LYS A 19 -13.799 0.457 3.986 1.00 1.25 H new ATOM 0 HG3 LYS A 19 -13.193 -0.587 2.715 1.00 1.25 H new ATOM 0 HD2 LYS A 19 -13.712 -1.410 5.605 1.00 1.92 H new ATOM 0 HD3 LYS A 19 -14.715 -1.818 4.228 1.00 1.92 H new ATOM 0 HE2 LYS A 19 -12.797 -3.043 3.204 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -11.810 -2.649 4.598 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -13.222 -4.890 4.369 1.00 3.07 H new ATOM 0 HZ2 LYS A 19 -12.813 -4.193 5.863 1.00 3.07 H new ATOM 0 HZ3 LYS A 19 -14.352 -3.930 5.196 1.00 3.07 H new ATOM 330 N ILE A 20 -8.990 2.276 3.390 1.00 0.74 N ATOM 331 CA ILE A 20 -7.638 2.591 3.812 1.00 0.71 C ATOM 332 C ILE A 20 -7.475 4.108 3.741 1.00 0.78 C ATOM 333 O ILE A 20 -7.829 4.743 2.745 1.00 1.22 O ATOM 334 CB ILE A 20 -6.570 1.837 2.954 1.00 1.02 C ATOM 335 CG1 ILE A 20 -5.199 1.795 3.659 1.00 1.33 C ATOM 336 CG2 ILE A 20 -6.435 2.447 1.565 1.00 1.79 C ATOM 337 CD1 ILE A 20 -4.434 3.103 3.652 1.00 1.72 C ATOM 0 H ILE A 20 -9.334 2.847 2.618 1.00 0.74 H new ATOM 0 HA ILE A 20 -7.474 2.252 4.835 1.00 0.71 H new ATOM 0 HB ILE A 20 -6.923 0.812 2.842 1.00 1.02 H new ATOM 0 HG12 ILE A 20 -5.349 1.485 4.693 1.00 1.33 H new ATOM 0 HG13 ILE A 20 -4.586 1.030 3.182 1.00 1.33 H new ATOM 0 HG21 ILE A 20 -5.684 1.897 0.998 1.00 1.79 H new ATOM 0 HG22 ILE A 20 -7.393 2.391 1.048 1.00 1.79 H new ATOM 0 HG23 ILE A 20 -6.131 3.490 1.654 1.00 1.79 H new ATOM 0 HD11 ILE A 20 -3.484 2.972 4.171 1.00 1.72 H new ATOM 0 HD12 ILE A 20 -4.246 3.409 2.623 1.00 1.72 H new ATOM 0 HD13 ILE A 20 -5.021 3.870 4.157 1.00 1.72 H new ATOM 349 N LYS A 21 -7.007 4.686 4.830 1.00 0.62 N ATOM 350 CA LYS A 21 -7.023 6.127 4.987 1.00 0.88 C ATOM 351 C LYS A 21 -5.625 6.717 4.864 1.00 0.78 C ATOM 352 O LYS A 21 -5.326 7.415 3.898 1.00 1.17 O ATOM 353 CB LYS A 21 -7.655 6.473 6.340 1.00 1.13 C ATOM 354 CG LYS A 21 -9.009 5.805 6.537 1.00 1.52 C ATOM 355 CD LYS A 21 -9.593 6.073 7.914 1.00 1.92 C ATOM 356 CE LYS A 21 -10.877 5.285 8.121 1.00 2.23 C ATOM 357 NZ LYS A 21 -11.479 5.513 9.464 1.00 2.46 N ATOM 0 H LYS A 21 -6.610 4.178 5.621 1.00 0.62 H new ATOM 0 HA LYS A 21 -7.619 6.566 4.187 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -6.982 6.167 7.141 1.00 1.13 H new ATOM 0 HB3 LYS A 21 -7.772 7.554 6.417 1.00 1.13 H new ATOM 0 HG2 LYS A 21 -9.702 6.163 5.776 1.00 1.52 H new ATOM 0 HG3 LYS A 21 -8.905 4.730 6.393 1.00 1.52 H new ATOM 0 HD2 LYS A 21 -8.867 5.801 8.681 1.00 1.92 H new ATOM 0 HD3 LYS A 21 -9.793 7.138 8.028 1.00 1.92 H new ATOM 0 HE2 LYS A 21 -11.598 5.563 7.352 1.00 2.23 H new ATOM 0 HE3 LYS A 21 -10.671 4.222 7.995 1.00 2.23 H new ATOM 0 HZ1 LYS A 21 -12.116 4.725 9.697 1.00 2.46 H new ATOM 0 HZ2 LYS A 21 -10.724 5.570 10.177 1.00 2.46 H new ATOM 0 HZ3 LYS A 21 -12.017 6.403 9.457 1.00 2.46 H new ATOM 371 N LYS A 22 -4.764 6.420 5.825 1.00 0.67 N ATOM 372 CA LYS A 22 -3.417 6.972 5.822 1.00 0.70 C ATOM 373 C LYS A 22 -2.405 5.923 5.396 1.00 0.51 C ATOM 374 O LYS A 22 -2.355 4.836 5.967 1.00 0.50 O ATOM 375 CB LYS A 22 -3.030 7.516 7.205 1.00 1.07 C ATOM 376 CG LYS A 22 -3.706 8.827 7.579 1.00 1.44 C ATOM 377 CD LYS A 22 -5.162 8.638 7.957 1.00 2.03 C ATOM 378 CE LYS A 22 -5.858 9.975 8.147 1.00 2.77 C ATOM 379 NZ LYS A 22 -5.946 10.739 6.874 1.00 3.08 N ATOM 0 H LYS A 22 -4.971 5.805 6.612 1.00 0.67 H new ATOM 0 HA LYS A 22 -3.409 7.795 5.107 1.00 0.70 H new ATOM 0 HB2 LYS A 22 -3.276 6.767 7.958 1.00 1.07 H new ATOM 0 HB3 LYS A 22 -1.950 7.657 7.237 1.00 1.07 H new ATOM 0 HG2 LYS A 22 -3.173 9.283 8.413 1.00 1.44 H new ATOM 0 HG3 LYS A 22 -3.638 9.520 6.741 1.00 1.44 H new ATOM 0 HD2 LYS A 22 -5.671 8.067 7.180 1.00 2.03 H new ATOM 0 HD3 LYS A 22 -5.229 8.056 8.876 1.00 2.03 H new ATOM 0 HE2 LYS A 22 -6.861 9.810 8.542 1.00 2.77 H new ATOM 0 HE3 LYS A 22 -5.317 10.564 8.888 1.00 2.77 H new ATOM 0 HZ1 LYS A 22 -6.671 11.479 6.963 1.00 3.08 H new ATOM 0 HZ2 LYS A 22 -5.026 11.179 6.669 1.00 3.08 H new ATOM 0 HZ3 LYS A 22 -6.202 10.094 6.099 1.00 3.08 H new ATOM 393 N VAL A 23 -1.608 6.244 4.395 1.00 0.49 N ATOM 394 CA VAL A 23 -0.516 5.377 3.988 1.00 0.49 C ATOM 395 C VAL A 23 0.813 6.081 4.247 1.00 0.51 C ATOM 396 O VAL A 23 1.112 7.113 3.648 1.00 0.63 O ATOM 397 CB VAL A 23 -0.638 4.939 2.503 1.00 0.64 C ATOM 398 CG1 VAL A 23 -0.800 6.136 1.575 1.00 1.56 C ATOM 399 CG2 VAL A 23 0.557 4.093 2.084 1.00 1.29 C ATOM 0 H VAL A 23 -1.695 7.100 3.847 1.00 0.49 H new ATOM 0 HA VAL A 23 -0.564 4.465 4.583 1.00 0.49 H new ATOM 0 HB VAL A 23 -1.538 4.330 2.418 1.00 0.64 H new ATOM 0 HG11 VAL A 23 -0.882 5.789 0.545 1.00 1.56 H new ATOM 0 HG12 VAL A 23 -1.701 6.687 1.845 1.00 1.56 H new ATOM 0 HG13 VAL A 23 0.067 6.790 1.670 1.00 1.56 H new ATOM 0 HG21 VAL A 23 0.447 3.799 1.040 1.00 1.29 H new ATOM 0 HG22 VAL A 23 1.473 4.672 2.203 1.00 1.29 H new ATOM 0 HG23 VAL A 23 0.608 3.201 2.708 1.00 1.29 H new ATOM 409 N ALA A 24 1.598 5.539 5.167 1.00 0.45 N ATOM 410 CA ALA A 24 2.811 6.205 5.600 1.00 0.51 C ATOM 411 C ALA A 24 3.949 5.219 5.815 1.00 0.46 C ATOM 412 O ALA A 24 3.765 4.151 6.400 1.00 0.44 O ATOM 413 CB ALA A 24 2.548 6.992 6.874 1.00 0.65 C ATOM 0 H ALA A 24 1.416 4.645 5.624 1.00 0.45 H new ATOM 0 HA ALA A 24 3.115 6.891 4.809 1.00 0.51 H new ATOM 0 HB1 ALA A 24 3.465 7.488 7.191 1.00 0.65 H new ATOM 0 HB2 ALA A 24 1.777 7.739 6.687 1.00 0.65 H new ATOM 0 HB3 ALA A 24 2.213 6.313 7.658 1.00 0.65 H new ATOM 419 N ARG A 25 5.117 5.588 5.325 1.00 0.60 N ATOM 420 CA ARG A 25 6.324 4.803 5.524 1.00 0.65 C ATOM 421 C ARG A 25 7.036 5.283 6.789 1.00 0.67 C ATOM 422 O ARG A 25 6.765 6.378 7.277 1.00 0.76 O ATOM 423 CB ARG A 25 7.246 4.956 4.310 1.00 0.86 C ATOM 424 CG ARG A 25 8.443 4.020 4.327 1.00 1.27 C ATOM 425 CD ARG A 25 9.443 4.362 3.235 1.00 1.80 C ATOM 426 NE ARG A 25 10.567 3.432 3.231 1.00 2.24 N ATOM 427 CZ ARG A 25 11.809 3.748 2.880 1.00 2.94 C ATOM 428 NH1 ARG A 25 12.108 4.971 2.464 1.00 3.40 N ATOM 429 NH2 ARG A 25 12.743 2.812 2.927 1.00 3.61 N ATOM 0 H ARG A 25 5.258 6.438 4.779 1.00 0.60 H new ATOM 0 HA ARG A 25 6.062 3.751 5.636 1.00 0.65 H new ATOM 0 HB2 ARG A 25 6.669 4.777 3.403 1.00 0.86 H new ATOM 0 HB3 ARG A 25 7.602 5.985 4.263 1.00 0.86 H new ATOM 0 HG2 ARG A 25 8.933 4.075 5.299 1.00 1.27 H new ATOM 0 HG3 ARG A 25 8.103 2.992 4.199 1.00 1.27 H new ATOM 0 HD2 ARG A 25 8.946 4.339 2.265 1.00 1.80 H new ATOM 0 HD3 ARG A 25 9.810 5.378 3.381 1.00 1.80 H new ATOM 0 HE ARG A 25 10.387 2.470 3.518 1.00 2.24 H new ATOM 0 HH11 ARG A 25 11.380 5.684 2.410 1.00 3.40 H new ATOM 0 HH12 ARG A 25 13.066 5.199 2.198 1.00 3.40 H new ATOM 0 HH21 ARG A 25 12.504 1.867 3.229 1.00 3.61 H new ATOM 0 HH22 ARG A 25 13.702 3.035 2.661 1.00 3.61 H new ATOM 443 N VAL A 26 7.957 4.470 7.295 1.00 0.70 N ATOM 444 CA VAL A 26 8.712 4.821 8.489 1.00 0.81 C ATOM 445 C VAL A 26 10.197 4.530 8.285 1.00 0.92 C ATOM 446 O VAL A 26 10.969 5.443 8.002 1.00 1.51 O ATOM 447 CB VAL A 26 8.178 4.125 9.770 1.00 0.95 C ATOM 448 CG1 VAL A 26 6.970 4.872 10.313 1.00 1.32 C ATOM 449 CG2 VAL A 26 7.813 2.674 9.509 1.00 1.07 C ATOM 0 H VAL A 26 8.198 3.563 6.895 1.00 0.70 H new ATOM 0 HA VAL A 26 8.578 5.891 8.646 1.00 0.81 H new ATOM 0 HB VAL A 26 8.978 4.143 10.511 1.00 0.95 H new ATOM 0 HG11 VAL A 26 6.607 4.372 11.211 1.00 1.32 H new ATOM 0 HG12 VAL A 26 7.255 5.895 10.557 1.00 1.32 H new ATOM 0 HG13 VAL A 26 6.181 4.884 9.561 1.00 1.32 H new ATOM 0 HG21 VAL A 26 7.443 2.221 10.429 1.00 1.07 H new ATOM 0 HG22 VAL A 26 7.038 2.626 8.744 1.00 1.07 H new ATOM 0 HG23 VAL A 26 8.695 2.133 9.167 1.00 1.07 H new ATOM 459 N GLY A 27 10.608 3.276 8.417 1.00 0.93 N ATOM 460 CA GLY A 27 11.976 2.922 8.098 1.00 0.96 C ATOM 461 C GLY A 27 12.046 1.786 7.102 1.00 0.89 C ATOM 462 O GLY A 27 12.503 1.966 5.977 1.00 0.98 O ATOM 0 H GLY A 27 10.024 2.503 8.737 1.00 0.93 H new ATOM 0 HA2 GLY A 27 12.491 3.793 7.693 1.00 0.96 H new ATOM 0 HA3 GLY A 27 12.500 2.638 9.011 1.00 0.96 H new ATOM 466 N LYS A 28 11.580 0.614 7.517 1.00 0.91 N ATOM 467 CA LYS A 28 11.549 -0.557 6.647 1.00 0.97 C ATOM 468 C LYS A 28 10.140 -1.125 6.578 1.00 0.77 C ATOM 469 O LYS A 28 9.839 -1.991 5.754 1.00 0.86 O ATOM 470 CB LYS A 28 12.499 -1.640 7.160 1.00 1.22 C ATOM 471 CG LYS A 28 13.945 -1.198 7.269 1.00 1.60 C ATOM 472 CD LYS A 28 14.842 -2.359 7.651 1.00 1.99 C ATOM 473 CE LYS A 28 16.291 -1.931 7.789 1.00 2.47 C ATOM 474 NZ LYS A 28 17.183 -3.103 7.967 1.00 3.21 N ATOM 0 H LYS A 28 11.216 0.448 8.456 1.00 0.91 H new ATOM 0 HA LYS A 28 11.868 -0.244 5.653 1.00 0.97 H new ATOM 0 HB2 LYS A 28 12.158 -1.972 8.140 1.00 1.22 H new ATOM 0 HB3 LYS A 28 12.443 -2.501 6.494 1.00 1.22 H new ATOM 0 HG2 LYS A 28 14.273 -0.778 6.318 1.00 1.60 H new ATOM 0 HG3 LYS A 28 14.032 -0.407 8.014 1.00 1.60 H new ATOM 0 HD2 LYS A 28 14.499 -2.789 8.592 1.00 1.99 H new ATOM 0 HD3 LYS A 28 14.765 -3.142 6.896 1.00 1.99 H new ATOM 0 HE2 LYS A 28 16.593 -1.372 6.904 1.00 2.47 H new ATOM 0 HE3 LYS A 28 16.395 -1.259 8.641 1.00 2.47 H new ATOM 0 HZ1 LYS A 28 18.167 -2.779 8.059 1.00 3.21 H new ATOM 0 HZ2 LYS A 28 16.908 -3.622 8.825 1.00 3.21 H new ATOM 0 HZ3 LYS A 28 17.100 -3.731 7.142 1.00 3.21 H new ATOM 488 N MET A 29 9.284 -0.641 7.467 1.00 0.60 N ATOM 489 CA MET A 29 7.907 -1.098 7.532 1.00 0.52 C ATOM 490 C MET A 29 6.973 -0.022 6.999 1.00 0.43 C ATOM 491 O MET A 29 7.338 1.152 6.927 1.00 0.47 O ATOM 492 CB MET A 29 7.523 -1.436 8.977 1.00 0.60 C ATOM 493 CG MET A 29 8.379 -2.515 9.622 1.00 1.39 C ATOM 494 SD MET A 29 8.177 -4.129 8.844 1.00 1.86 S ATOM 495 CE MET A 29 9.243 -5.138 9.871 1.00 2.42 C ATOM 0 H MET A 29 9.523 0.072 8.156 1.00 0.60 H new ATOM 0 HA MET A 29 7.813 -1.995 6.919 1.00 0.52 H new ATOM 0 HB2 MET A 29 7.590 -0.529 9.579 1.00 0.60 H new ATOM 0 HB3 MET A 29 6.481 -1.756 8.997 1.00 0.60 H new ATOM 0 HG2 MET A 29 9.427 -2.220 9.569 1.00 1.39 H new ATOM 0 HG3 MET A 29 8.123 -2.592 10.679 1.00 1.39 H new ATOM 0 HE1 MET A 29 9.224 -6.168 9.514 1.00 2.42 H new ATOM 0 HE2 MET A 29 10.263 -4.756 9.823 1.00 2.42 H new ATOM 0 HE3 MET A 29 8.892 -5.105 10.902 1.00 2.42 H new ATOM 505 N VAL A 30 5.786 -0.432 6.597 1.00 0.52 N ATOM 506 CA VAL A 30 4.734 0.494 6.229 1.00 0.45 C ATOM 507 C VAL A 30 3.654 0.483 7.303 1.00 0.44 C ATOM 508 O VAL A 30 2.984 -0.532 7.514 1.00 0.61 O ATOM 509 CB VAL A 30 4.097 0.125 4.872 1.00 0.56 C ATOM 510 CG1 VAL A 30 3.106 1.191 4.429 1.00 0.54 C ATOM 511 CG2 VAL A 30 5.171 -0.086 3.818 1.00 0.61 C ATOM 0 H VAL A 30 5.524 -1.415 6.516 1.00 0.52 H new ATOM 0 HA VAL A 30 5.177 1.486 6.139 1.00 0.45 H new ATOM 0 HB VAL A 30 3.551 -0.810 4.996 1.00 0.56 H new ATOM 0 HG11 VAL A 30 2.671 0.908 3.471 1.00 0.54 H new ATOM 0 HG12 VAL A 30 2.315 1.284 5.173 1.00 0.54 H new ATOM 0 HG13 VAL A 30 3.621 2.146 4.326 1.00 0.54 H new ATOM 0 HG21 VAL A 30 4.703 -0.345 2.868 1.00 0.61 H new ATOM 0 HG22 VAL A 30 5.749 0.830 3.699 1.00 0.61 H new ATOM 0 HG23 VAL A 30 5.832 -0.895 4.129 1.00 0.61 H new ATOM 521 N SER A 31 3.500 1.605 7.985 1.00 0.35 N ATOM 522 CA SER A 31 2.514 1.722 9.043 1.00 0.39 C ATOM 523 C SER A 31 1.317 2.516 8.541 1.00 0.37 C ATOM 524 O SER A 31 1.327 3.751 8.534 1.00 0.48 O ATOM 525 CB SER A 31 3.144 2.394 10.261 1.00 0.53 C ATOM 526 OG SER A 31 3.809 3.588 9.890 1.00 1.25 O ATOM 0 H SER A 31 4.048 2.450 7.823 1.00 0.35 H new ATOM 0 HA SER A 31 2.170 0.730 9.337 1.00 0.39 H new ATOM 0 HB2 SER A 31 2.373 2.616 10.999 1.00 0.53 H new ATOM 0 HB3 SER A 31 3.850 1.711 10.734 1.00 0.53 H new ATOM 0 HG SER A 31 3.257 4.085 9.251 1.00 1.25 H new ATOM 532 N PHE A 32 0.294 1.803 8.110 1.00 0.34 N ATOM 533 CA PHE A 32 -0.842 2.426 7.458 1.00 0.34 C ATOM 534 C PHE A 32 -2.069 2.433 8.360 1.00 0.34 C ATOM 535 O PHE A 32 -2.197 1.609 9.269 1.00 0.35 O ATOM 536 CB PHE A 32 -1.153 1.720 6.129 1.00 0.35 C ATOM 537 CG PHE A 32 -1.405 0.241 6.253 1.00 0.37 C ATOM 538 CD1 PHE A 32 -0.346 -0.656 6.257 1.00 0.49 C ATOM 539 CD2 PHE A 32 -2.696 -0.251 6.354 1.00 0.42 C ATOM 540 CE1 PHE A 32 -0.573 -2.014 6.363 1.00 0.61 C ATOM 541 CE2 PHE A 32 -2.925 -1.610 6.457 1.00 0.53 C ATOM 542 CZ PHE A 32 -1.864 -2.489 6.464 1.00 0.61 C ATOM 0 H PHE A 32 0.226 0.789 8.200 1.00 0.34 H new ATOM 0 HA PHE A 32 -0.578 3.463 7.250 1.00 0.34 H new ATOM 0 HB2 PHE A 32 -2.028 2.189 5.679 1.00 0.35 H new ATOM 0 HB3 PHE A 32 -0.320 1.878 5.444 1.00 0.35 H new ATOM 0 HD1 PHE A 32 0.666 -0.288 6.176 1.00 0.49 H new ATOM 0 HD2 PHE A 32 -3.531 0.434 6.352 1.00 0.42 H new ATOM 0 HE1 PHE A 32 0.259 -2.703 6.367 1.00 0.61 H new ATOM 0 HE2 PHE A 32 -3.936 -1.983 6.532 1.00 0.53 H new ATOM 0 HZ PHE A 32 -2.043 -3.551 6.549 1.00 0.61 H new ATOM 552 N THR A 33 -2.958 3.374 8.097 1.00 0.38 N ATOM 553 CA THR A 33 -4.191 3.513 8.844 1.00 0.46 C ATOM 554 C THR A 33 -5.372 3.158 7.949 1.00 0.50 C ATOM 555 O THR A 33 -5.541 3.734 6.878 1.00 0.62 O ATOM 556 CB THR A 33 -4.348 4.955 9.368 1.00 0.57 C ATOM 557 OG1 THR A 33 -3.155 5.347 10.062 1.00 1.17 O ATOM 558 CG2 THR A 33 -5.545 5.081 10.299 1.00 1.06 C ATOM 0 H THR A 33 -2.843 4.065 7.356 1.00 0.38 H new ATOM 0 HA THR A 33 -4.162 2.836 9.697 1.00 0.46 H new ATOM 0 HB THR A 33 -4.514 5.610 8.513 1.00 0.57 H new ATOM 0 HG1 THR A 33 -3.255 6.264 10.393 1.00 1.17 H new ATOM 0 HG21 THR A 33 -5.626 6.110 10.650 1.00 1.06 H new ATOM 0 HG22 THR A 33 -6.454 4.808 9.762 1.00 1.06 H new ATOM 0 HG23 THR A 33 -5.414 4.416 11.152 1.00 1.06 H new ATOM 566 N TYR A 34 -6.186 2.215 8.393 1.00 0.54 N ATOM 567 CA TYR A 34 -7.265 1.687 7.570 1.00 0.63 C ATOM 568 C TYR A 34 -8.583 1.695 8.329 1.00 0.70 C ATOM 569 O TYR A 34 -8.690 2.301 9.398 1.00 0.95 O ATOM 570 CB TYR A 34 -6.927 0.265 7.097 1.00 0.69 C ATOM 571 CG TYR A 34 -6.685 -0.727 8.216 1.00 0.64 C ATOM 572 CD1 TYR A 34 -7.734 -1.450 8.773 1.00 0.76 C ATOM 573 CD2 TYR A 34 -5.404 -0.951 8.704 1.00 0.66 C ATOM 574 CE1 TYR A 34 -7.513 -2.358 9.790 1.00 0.81 C ATOM 575 CE2 TYR A 34 -5.178 -1.859 9.716 1.00 0.72 C ATOM 576 CZ TYR A 34 -6.234 -2.560 10.254 1.00 0.75 C ATOM 577 OH TYR A 34 -6.009 -3.462 11.265 1.00 0.87 O ATOM 0 H TYR A 34 -6.121 1.797 9.321 1.00 0.54 H new ATOM 0 HA TYR A 34 -7.374 2.331 6.697 1.00 0.63 H new ATOM 0 HB2 TYR A 34 -7.743 -0.101 6.474 1.00 0.69 H new ATOM 0 HB3 TYR A 34 -6.039 0.307 6.467 1.00 0.69 H new ATOM 0 HD1 TYR A 34 -8.738 -1.299 8.404 1.00 0.76 H new ATOM 0 HD2 TYR A 34 -4.572 -0.405 8.284 1.00 0.66 H new ATOM 0 HE1 TYR A 34 -8.339 -2.906 10.218 1.00 0.81 H new ATOM 0 HE2 TYR A 34 -4.176 -2.020 10.086 1.00 0.72 H new ATOM 0 HH TYR A 34 -5.052 -3.486 11.475 1.00 0.87 H new ATOM 587 N ASP A 35 -9.579 1.012 7.779 1.00 1.05 N ATOM 588 CA ASP A 35 -10.900 0.979 8.381 1.00 1.19 C ATOM 589 C ASP A 35 -11.489 -0.418 8.274 1.00 1.20 C ATOM 590 O ASP A 35 -12.006 -0.819 7.233 1.00 1.46 O ATOM 591 CB ASP A 35 -11.831 1.998 7.723 1.00 1.51 C ATOM 592 CG ASP A 35 -13.054 2.287 8.571 1.00 1.63 C ATOM 593 OD1 ASP A 35 -12.972 3.176 9.443 1.00 2.12 O ATOM 594 OD2 ASP A 35 -14.098 1.630 8.365 1.00 1.99 O ATOM 0 H ASP A 35 -9.494 0.474 6.917 1.00 1.05 H new ATOM 0 HA ASP A 35 -10.800 1.244 9.434 1.00 1.19 H new ATOM 0 HB2 ASP A 35 -11.286 2.925 7.547 1.00 1.51 H new ATOM 0 HB3 ASP A 35 -12.146 1.624 6.749 1.00 1.51 H new ATOM 599 N ASP A 36 -11.393 -1.152 9.363 1.00 1.24 N ATOM 600 CA ASP A 36 -11.881 -2.524 9.420 1.00 1.47 C ATOM 601 C ASP A 36 -12.270 -2.823 10.856 1.00 1.69 C ATOM 602 O ASP A 36 -11.824 -3.801 11.456 1.00 2.10 O ATOM 603 CB ASP A 36 -10.817 -3.503 8.911 1.00 1.93 C ATOM 604 CG ASP A 36 -11.408 -4.819 8.436 1.00 2.68 C ATOM 605 OD1 ASP A 36 -12.146 -4.817 7.430 1.00 3.47 O ATOM 606 OD2 ASP A 36 -11.161 -5.859 9.087 1.00 2.88 O ATOM 0 H ASP A 36 -10.977 -0.821 10.233 1.00 1.24 H new ATOM 0 HA ASP A 36 -12.750 -2.643 8.773 1.00 1.47 H new ATOM 0 HB2 ASP A 36 -10.266 -3.041 8.092 1.00 1.93 H new ATOM 0 HB3 ASP A 36 -10.099 -3.699 9.707 1.00 1.93 H new ATOM 611 N ASN A 37 -13.132 -1.961 11.388 1.00 2.04 N ATOM 612 CA ASN A 37 -13.331 -1.833 12.833 1.00 2.52 C ATOM 613 C ASN A 37 -14.121 -0.563 13.136 1.00 2.87 C ATOM 614 O ASN A 37 -14.475 0.178 12.221 1.00 3.52 O ATOM 615 CB ASN A 37 -11.983 -1.788 13.579 1.00 3.11 C ATOM 616 CG ASN A 37 -10.976 -0.782 13.017 1.00 3.61 C ATOM 617 OD1 ASN A 37 -9.771 -0.952 13.182 1.00 4.37 O ATOM 618 ND2 ASN A 37 -11.450 0.252 12.331 1.00 3.58 N ATOM 0 H ASN A 37 -13.712 -1.332 10.833 1.00 2.04 H new ATOM 0 HA ASN A 37 -13.887 -2.706 13.176 1.00 2.52 H new ATOM 0 HB2 ASN A 37 -12.170 -1.548 14.626 1.00 3.11 H new ATOM 0 HB3 ASN A 37 -11.536 -2.782 13.554 1.00 3.11 H new ATOM 0 HD21 ASN A 37 -10.808 0.932 11.924 1.00 3.58 H new ATOM 0 HD22 ASN A 37 -12.456 0.366 12.211 1.00 3.58 H new ATOM 625 N GLY A 38 -14.355 -0.298 14.417 1.00 3.05 N ATOM 626 CA GLY A 38 -15.104 0.882 14.806 1.00 3.84 C ATOM 627 C GLY A 38 -14.221 1.937 15.444 1.00 3.87 C ATOM 628 O GLY A 38 -14.593 2.544 16.450 1.00 4.27 O ATOM 0 H GLY A 38 -14.039 -0.880 15.193 1.00 3.05 H new ATOM 0 HA2 GLY A 38 -15.595 1.304 13.929 1.00 3.84 H new ATOM 0 HA3 GLY A 38 -15.890 0.597 15.505 1.00 3.84 H new ATOM 632 N LYS A 39 -13.041 2.133 14.860 1.00 3.58 N ATOM 633 CA LYS A 39 -12.083 3.131 15.329 1.00 3.65 C ATOM 634 C LYS A 39 -10.952 3.293 14.317 1.00 3.06 C ATOM 635 O LYS A 39 -11.056 2.806 13.191 1.00 3.00 O ATOM 636 CB LYS A 39 -11.532 2.772 16.726 1.00 3.97 C ATOM 637 CG LYS A 39 -11.198 1.296 16.945 1.00 4.01 C ATOM 638 CD LYS A 39 -10.012 0.833 16.118 1.00 4.09 C ATOM 639 CE LYS A 39 -9.601 -0.589 16.479 1.00 4.30 C ATOM 640 NZ LYS A 39 -8.513 -1.100 15.601 1.00 4.81 N ATOM 0 H LYS A 39 -12.722 1.604 14.048 1.00 3.58 H new ATOM 0 HA LYS A 39 -12.603 4.084 15.422 1.00 3.65 H new ATOM 0 HB2 LYS A 39 -10.632 3.360 16.904 1.00 3.97 H new ATOM 0 HB3 LYS A 39 -12.264 3.075 17.475 1.00 3.97 H new ATOM 0 HG2 LYS A 39 -10.986 1.129 18.001 1.00 4.01 H new ATOM 0 HG3 LYS A 39 -12.069 0.690 16.695 1.00 4.01 H new ATOM 0 HD2 LYS A 39 -10.264 0.882 15.059 1.00 4.09 H new ATOM 0 HD3 LYS A 39 -9.171 1.508 16.277 1.00 4.09 H new ATOM 0 HE2 LYS A 39 -9.271 -0.617 17.517 1.00 4.30 H new ATOM 0 HE3 LYS A 39 -10.467 -1.246 16.402 1.00 4.30 H new ATOM 0 HZ1 LYS A 39 -8.450 -2.134 15.692 1.00 4.81 H new ATOM 0 HZ2 LYS A 39 -8.719 -0.851 14.612 1.00 4.81 H new ATOM 0 HZ3 LYS A 39 -7.608 -0.672 15.884 1.00 4.81 H new ATOM 654 N THR A 40 -9.893 3.994 14.693 1.00 2.83 N ATOM 655 CA THR A 40 -8.734 4.126 13.824 1.00 2.37 C ATOM 656 C THR A 40 -7.949 2.808 13.781 1.00 1.60 C ATOM 657 O THR A 40 -7.487 2.305 14.807 1.00 2.02 O ATOM 658 CB THR A 40 -7.822 5.303 14.262 1.00 2.76 C ATOM 659 OG1 THR A 40 -6.681 5.396 13.401 1.00 2.97 O ATOM 660 CG2 THR A 40 -7.357 5.158 15.704 1.00 3.08 C ATOM 0 H THR A 40 -9.812 4.477 15.588 1.00 2.83 H new ATOM 0 HA THR A 40 -9.091 4.352 12.819 1.00 2.37 H new ATOM 0 HB THR A 40 -8.416 6.214 14.188 1.00 2.76 H new ATOM 0 HG1 THR A 40 -6.115 6.143 13.687 1.00 2.97 H new ATOM 0 HG21 THR A 40 -6.721 6.003 15.968 1.00 3.08 H new ATOM 0 HG22 THR A 40 -8.223 5.135 16.365 1.00 3.08 H new ATOM 0 HG23 THR A 40 -6.793 4.232 15.813 1.00 3.08 H new ATOM 668 N GLY A 41 -7.851 2.222 12.594 1.00 1.15 N ATOM 669 CA GLY A 41 -7.140 0.968 12.450 1.00 0.83 C ATOM 670 C GLY A 41 -5.722 1.168 11.970 1.00 0.61 C ATOM 671 O GLY A 41 -5.468 2.006 11.109 1.00 0.62 O ATOM 0 H GLY A 41 -8.250 2.592 11.731 1.00 1.15 H new ATOM 0 HA2 GLY A 41 -7.128 0.447 13.408 1.00 0.83 H new ATOM 0 HA3 GLY A 41 -7.673 0.329 11.746 1.00 0.83 H new ATOM 675 N ARG A 42 -4.802 0.383 12.508 1.00 0.52 N ATOM 676 CA ARG A 42 -3.394 0.493 12.157 1.00 0.51 C ATOM 677 C ARG A 42 -2.816 -0.878 11.848 1.00 0.47 C ATOM 678 O ARG A 42 -3.067 -1.847 12.563 1.00 0.61 O ATOM 679 CB ARG A 42 -2.602 1.154 13.287 1.00 0.76 C ATOM 680 CG ARG A 42 -2.744 2.666 13.322 1.00 1.24 C ATOM 681 CD ARG A 42 -1.877 3.335 12.267 1.00 1.30 C ATOM 682 NE ARG A 42 -0.451 3.240 12.589 1.00 1.86 N ATOM 683 CZ ARG A 42 0.441 4.197 12.327 1.00 2.34 C ATOM 684 NH1 ARG A 42 0.068 5.322 11.725 1.00 2.55 N ATOM 685 NH2 ARG A 42 1.708 4.024 12.681 1.00 3.13 N ATOM 0 H ARG A 42 -5.007 -0.343 13.195 1.00 0.52 H new ATOM 0 HA ARG A 42 -3.314 1.118 11.268 1.00 0.51 H new ATOM 0 HB2 ARG A 42 -2.934 0.744 14.241 1.00 0.76 H new ATOM 0 HB3 ARG A 42 -1.548 0.898 13.179 1.00 0.76 H new ATOM 0 HG2 ARG A 42 -3.787 2.938 13.162 1.00 1.24 H new ATOM 0 HG3 ARG A 42 -2.466 3.035 14.309 1.00 1.24 H new ATOM 0 HD2 ARG A 42 -2.062 2.871 11.298 1.00 1.30 H new ATOM 0 HD3 ARG A 42 -2.159 4.384 12.177 1.00 1.30 H new ATOM 0 HE ARG A 42 -0.119 2.389 13.042 1.00 1.86 H new ATOM 0 HH11 ARG A 42 -0.907 5.459 11.459 1.00 2.55 H new ATOM 0 HH12 ARG A 42 0.757 6.048 11.529 1.00 2.55 H new ATOM 0 HH21 ARG A 42 1.994 3.164 13.150 1.00 3.13 H new ATOM 0 HH22 ARG A 42 2.396 4.751 12.484 1.00 3.13 H new ATOM 699 N GLY A 43 -2.060 -0.949 10.770 1.00 0.40 N ATOM 700 CA GLY A 43 -1.443 -2.192 10.372 1.00 0.43 C ATOM 701 C GLY A 43 -0.010 -1.974 9.959 1.00 0.38 C ATOM 702 O GLY A 43 0.364 -0.855 9.597 1.00 0.39 O ATOM 0 H GLY A 43 -1.860 -0.159 10.156 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -1.484 -2.903 11.197 1.00 0.43 H new ATOM 0 HA3 GLY A 43 -2.001 -2.631 9.545 1.00 0.43 H new ATOM 706 N ALA A 44 0.800 -3.022 10.010 1.00 0.38 N ATOM 707 CA ALA A 44 2.205 -2.897 9.675 1.00 0.39 C ATOM 708 C ALA A 44 2.683 -4.078 8.842 1.00 0.44 C ATOM 709 O ALA A 44 2.472 -5.239 9.197 1.00 0.53 O ATOM 710 CB ALA A 44 3.042 -2.767 10.939 1.00 0.46 C ATOM 0 H ALA A 44 0.508 -3.961 10.279 1.00 0.38 H new ATOM 0 HA ALA A 44 2.327 -1.994 9.077 1.00 0.39 H new ATOM 0 HB1 ALA A 44 4.094 -2.674 10.671 1.00 0.46 H new ATOM 0 HB2 ALA A 44 2.729 -1.882 11.493 1.00 0.46 H new ATOM 0 HB3 ALA A 44 2.903 -3.652 11.560 1.00 0.46 H new ATOM 716 N VAL A 45 3.301 -3.759 7.723 1.00 0.45 N ATOM 717 CA VAL A 45 3.897 -4.749 6.842 1.00 0.54 C ATOM 718 C VAL A 45 5.187 -4.169 6.276 1.00 0.47 C ATOM 719 O VAL A 45 5.300 -2.956 6.136 1.00 0.49 O ATOM 720 CB VAL A 45 2.926 -5.133 5.694 1.00 0.70 C ATOM 721 CG1 VAL A 45 2.601 -3.927 4.822 1.00 1.21 C ATOM 722 CG2 VAL A 45 3.487 -6.272 4.854 1.00 1.50 C ATOM 0 H VAL A 45 3.406 -2.799 7.395 1.00 0.45 H new ATOM 0 HA VAL A 45 4.108 -5.658 7.405 1.00 0.54 H new ATOM 0 HB VAL A 45 1.999 -5.479 6.151 1.00 0.70 H new ATOM 0 HG11 VAL A 45 1.919 -4.227 4.026 1.00 1.21 H new ATOM 0 HG12 VAL A 45 2.132 -3.154 5.430 1.00 1.21 H new ATOM 0 HG13 VAL A 45 3.520 -3.536 4.384 1.00 1.21 H new ATOM 0 HG21 VAL A 45 2.784 -6.518 4.058 1.00 1.50 H new ATOM 0 HG22 VAL A 45 4.438 -5.967 4.417 1.00 1.50 H new ATOM 0 HG23 VAL A 45 3.642 -7.147 5.485 1.00 1.50 H new ATOM 732 N SER A 46 6.169 -5.006 5.979 1.00 0.51 N ATOM 733 CA SER A 46 7.439 -4.507 5.476 1.00 0.62 C ATOM 734 C SER A 46 7.323 -4.128 4.005 1.00 0.74 C ATOM 735 O SER A 46 6.436 -4.615 3.307 1.00 1.13 O ATOM 736 CB SER A 46 8.555 -5.536 5.686 1.00 0.78 C ATOM 737 OG SER A 46 8.202 -6.802 5.158 1.00 1.26 O ATOM 0 H SER A 46 6.113 -6.020 6.076 1.00 0.51 H new ATOM 0 HA SER A 46 7.698 -3.611 6.041 1.00 0.62 H new ATOM 0 HB2 SER A 46 9.470 -5.184 5.209 1.00 0.78 H new ATOM 0 HB3 SER A 46 8.767 -5.631 6.751 1.00 0.78 H new ATOM 0 HG SER A 46 8.936 -7.435 5.307 1.00 1.26 H new ATOM 743 N GLU A 47 8.218 -3.269 3.537 1.00 0.64 N ATOM 744 CA GLU A 47 8.193 -2.825 2.149 1.00 0.78 C ATOM 745 C GLU A 47 8.391 -3.999 1.203 1.00 0.69 C ATOM 746 O GLU A 47 7.757 -4.078 0.150 1.00 0.81 O ATOM 747 CB GLU A 47 9.292 -1.796 1.904 1.00 1.15 C ATOM 748 CG GLU A 47 9.138 -0.521 2.710 1.00 1.53 C ATOM 749 CD GLU A 47 10.284 0.430 2.468 1.00 1.83 C ATOM 750 OE1 GLU A 47 10.362 1.000 1.364 1.00 2.01 O ATOM 751 OE2 GLU A 47 11.121 0.608 3.379 1.00 2.34 O ATOM 0 H GLU A 47 8.970 -2.866 4.097 1.00 0.64 H new ATOM 0 HA GLU A 47 7.219 -2.374 1.959 1.00 0.78 H new ATOM 0 HB2 GLU A 47 10.256 -2.247 2.139 1.00 1.15 H new ATOM 0 HB3 GLU A 47 9.308 -1.543 0.844 1.00 1.15 H new ATOM 0 HG2 GLU A 47 8.199 -0.035 2.447 1.00 1.53 H new ATOM 0 HG3 GLU A 47 9.084 -0.765 3.771 1.00 1.53 H new ATOM 758 N LYS A 48 9.263 -4.916 1.593 1.00 0.67 N ATOM 759 CA LYS A 48 9.585 -6.060 0.756 1.00 0.76 C ATOM 760 C LYS A 48 8.402 -7.020 0.669 1.00 0.70 C ATOM 761 O LYS A 48 8.230 -7.720 -0.331 1.00 0.83 O ATOM 762 CB LYS A 48 10.822 -6.782 1.297 1.00 0.93 C ATOM 763 CG LYS A 48 12.010 -5.855 1.517 1.00 1.63 C ATOM 764 CD LYS A 48 13.265 -6.611 1.930 1.00 2.06 C ATOM 765 CE LYS A 48 13.816 -7.455 0.792 1.00 2.59 C ATOM 766 NZ LYS A 48 15.107 -8.097 1.156 1.00 3.35 N ATOM 0 H LYS A 48 9.760 -4.890 2.483 1.00 0.67 H new ATOM 0 HA LYS A 48 9.803 -5.699 -0.249 1.00 0.76 H new ATOM 0 HB2 LYS A 48 10.568 -7.267 2.240 1.00 0.93 H new ATOM 0 HB3 LYS A 48 11.108 -7.570 0.600 1.00 0.93 H new ATOM 0 HG2 LYS A 48 12.209 -5.299 0.601 1.00 1.63 H new ATOM 0 HG3 LYS A 48 11.760 -5.124 2.286 1.00 1.63 H new ATOM 0 HD2 LYS A 48 14.025 -5.902 2.258 1.00 2.06 H new ATOM 0 HD3 LYS A 48 13.039 -7.252 2.782 1.00 2.06 H new ATOM 0 HE2 LYS A 48 13.090 -8.223 0.525 1.00 2.59 H new ATOM 0 HE3 LYS A 48 13.957 -6.829 -0.089 1.00 2.59 H new ATOM 0 HZ1 LYS A 48 15.451 -8.664 0.355 1.00 3.35 H new ATOM 0 HZ2 LYS A 48 15.807 -7.363 1.387 1.00 3.35 H new ATOM 0 HZ3 LYS A 48 14.967 -8.714 1.982 1.00 3.35 H new ATOM 780 N ASP A 49 7.599 -7.064 1.727 1.00 0.59 N ATOM 781 CA ASP A 49 6.423 -7.930 1.761 1.00 0.65 C ATOM 782 C ASP A 49 5.153 -7.182 1.344 1.00 0.66 C ATOM 783 O ASP A 49 4.061 -7.756 1.340 1.00 0.72 O ATOM 784 CB ASP A 49 6.251 -8.506 3.174 1.00 0.68 C ATOM 785 CG ASP A 49 5.326 -9.712 3.217 1.00 1.28 C ATOM 786 OD1 ASP A 49 5.618 -10.733 2.553 1.00 1.27 O ATOM 787 OD2 ASP A 49 4.278 -9.627 3.895 1.00 2.22 O ATOM 0 H ASP A 49 7.740 -6.511 2.572 1.00 0.59 H new ATOM 0 HA ASP A 49 6.579 -8.738 1.046 1.00 0.65 H new ATOM 0 HB2 ASP A 49 7.228 -8.790 3.566 1.00 0.68 H new ATOM 0 HB3 ASP A 49 5.858 -7.730 3.831 1.00 0.68 H new ATOM 792 N ALA A 50 5.294 -5.915 0.967 1.00 0.69 N ATOM 793 CA ALA A 50 4.145 -5.094 0.596 1.00 0.72 C ATOM 794 C ALA A 50 3.613 -5.486 -0.785 1.00 0.70 C ATOM 795 O ALA A 50 4.382 -5.664 -1.731 1.00 0.79 O ATOM 796 CB ALA A 50 4.510 -3.619 0.634 1.00 0.87 C ATOM 0 H ALA A 50 6.192 -5.434 0.910 1.00 0.69 H new ATOM 0 HA ALA A 50 3.352 -5.271 1.323 1.00 0.72 H new ATOM 0 HB1 ALA A 50 3.642 -3.022 0.355 1.00 0.87 H new ATOM 0 HB2 ALA A 50 4.828 -3.349 1.641 1.00 0.87 H new ATOM 0 HB3 ALA A 50 5.323 -3.427 -0.067 1.00 0.87 H new ATOM 802 N PRO A 51 2.283 -5.622 -0.913 1.00 0.65 N ATOM 803 CA PRO A 51 1.651 -6.106 -2.135 1.00 0.70 C ATOM 804 C PRO A 51 1.312 -5.012 -3.156 1.00 0.72 C ATOM 805 O PRO A 51 0.438 -4.178 -2.916 1.00 1.01 O ATOM 806 CB PRO A 51 0.374 -6.746 -1.599 1.00 0.72 C ATOM 807 CG PRO A 51 0.011 -5.930 -0.402 1.00 0.73 C ATOM 808 CD PRO A 51 1.294 -5.349 0.141 1.00 0.64 C ATOM 0 HA PRO A 51 2.314 -6.769 -2.691 1.00 0.70 H new ATOM 0 HB2 PRO A 51 -0.420 -6.729 -2.345 1.00 0.72 H new ATOM 0 HB3 PRO A 51 0.537 -7.790 -1.331 1.00 0.72 H new ATOM 0 HG2 PRO A 51 -0.687 -5.138 -0.673 1.00 0.73 H new ATOM 0 HG3 PRO A 51 -0.482 -6.546 0.350 1.00 0.73 H new ATOM 0 HD2 PRO A 51 1.199 -4.280 0.332 1.00 0.64 H new ATOM 0 HD3 PRO A 51 1.576 -5.817 1.084 1.00 0.64 H new ATOM 816 N LYS A 52 2.035 -5.044 -4.277 1.00 0.61 N ATOM 817 CA LYS A 52 1.713 -4.311 -5.517 1.00 0.70 C ATOM 818 C LYS A 52 1.083 -2.928 -5.290 1.00 0.60 C ATOM 819 O LYS A 52 1.796 -1.931 -5.175 1.00 0.70 O ATOM 820 CB LYS A 52 0.778 -5.174 -6.377 1.00 1.04 C ATOM 821 CG LYS A 52 0.615 -4.698 -7.813 1.00 1.38 C ATOM 822 CD LYS A 52 1.867 -4.947 -8.635 1.00 2.01 C ATOM 823 CE LYS A 52 1.669 -4.533 -10.085 1.00 2.22 C ATOM 824 NZ LYS A 52 2.833 -4.888 -10.938 1.00 2.97 N ATOM 0 H LYS A 52 2.889 -5.596 -4.356 1.00 0.61 H new ATOM 0 HA LYS A 52 2.660 -4.124 -6.023 1.00 0.70 H new ATOM 0 HB2 LYS A 52 1.157 -6.196 -6.388 1.00 1.04 H new ATOM 0 HB3 LYS A 52 -0.204 -5.203 -5.905 1.00 1.04 H new ATOM 0 HG2 LYS A 52 -0.230 -5.211 -8.272 1.00 1.38 H new ATOM 0 HG3 LYS A 52 0.382 -3.633 -7.819 1.00 1.38 H new ATOM 0 HD2 LYS A 52 2.702 -4.392 -8.207 1.00 2.01 H new ATOM 0 HD3 LYS A 52 2.130 -6.004 -8.589 1.00 2.01 H new ATOM 0 HE2 LYS A 52 0.773 -5.014 -10.478 1.00 2.22 H new ATOM 0 HE3 LYS A 52 1.501 -3.457 -10.133 1.00 2.22 H new ATOM 0 HZ1 LYS A 52 2.651 -4.586 -11.916 1.00 2.97 H new ATOM 0 HZ2 LYS A 52 3.684 -4.409 -10.580 1.00 2.97 H new ATOM 0 HZ3 LYS A 52 2.979 -5.917 -10.915 1.00 2.97 H new ATOM 838 N GLU A 53 -0.254 -2.877 -5.233 1.00 0.67 N ATOM 839 CA GLU A 53 -0.995 -1.617 -5.114 1.00 0.82 C ATOM 840 C GLU A 53 -0.603 -0.830 -3.860 1.00 0.80 C ATOM 841 O GLU A 53 -0.715 0.394 -3.829 1.00 1.00 O ATOM 842 CB GLU A 53 -2.504 -1.893 -5.122 1.00 1.09 C ATOM 843 CG GLU A 53 -3.356 -0.638 -4.994 1.00 1.69 C ATOM 844 CD GLU A 53 -4.835 -0.901 -5.189 1.00 2.07 C ATOM 845 OE1 GLU A 53 -5.399 -1.748 -4.469 1.00 2.77 O ATOM 846 OE2 GLU A 53 -5.446 -0.257 -6.071 1.00 2.33 O ATOM 0 H GLU A 53 -0.849 -3.705 -5.268 1.00 0.67 H new ATOM 0 HA GLU A 53 -0.734 -1.000 -5.974 1.00 0.82 H new ATOM 0 HB2 GLU A 53 -2.766 -2.406 -6.047 1.00 1.09 H new ATOM 0 HB3 GLU A 53 -2.745 -2.570 -4.303 1.00 1.09 H new ATOM 0 HG2 GLU A 53 -3.198 -0.198 -4.009 1.00 1.69 H new ATOM 0 HG3 GLU A 53 -3.024 0.096 -5.728 1.00 1.69 H new ATOM 853 N LEU A 54 -0.092 -1.520 -2.852 1.00 0.69 N ATOM 854 CA LEU A 54 0.297 -0.861 -1.616 1.00 0.74 C ATOM 855 C LEU A 54 1.666 -0.221 -1.822 1.00 0.78 C ATOM 856 O LEU A 54 1.951 0.848 -1.286 1.00 1.15 O ATOM 857 CB LEU A 54 0.317 -1.878 -0.457 1.00 0.78 C ATOM 858 CG LEU A 54 0.290 -1.299 0.969 1.00 0.83 C ATOM 859 CD1 LEU A 54 1.645 -0.734 1.368 1.00 1.34 C ATOM 860 CD2 LEU A 54 -0.787 -0.228 1.088 1.00 1.82 C ATOM 0 H LEU A 54 0.062 -2.528 -2.865 1.00 0.69 H new ATOM 0 HA LEU A 54 -0.423 -0.085 -1.354 1.00 0.74 H new ATOM 0 HB2 LEU A 54 -0.540 -2.542 -0.571 1.00 0.78 H new ATOM 0 HB3 LEU A 54 1.212 -2.492 -0.558 1.00 0.78 H new ATOM 0 HG LEU A 54 0.055 -2.114 1.653 1.00 0.83 H new ATOM 0 HD11 LEU A 54 1.589 -0.334 2.380 1.00 1.34 H new ATOM 0 HD12 LEU A 54 2.394 -1.525 1.332 1.00 1.34 H new ATOM 0 HD13 LEU A 54 1.925 0.062 0.678 1.00 1.34 H new ATOM 0 HD21 LEU A 54 -0.793 0.171 2.102 1.00 1.82 H new ATOM 0 HD22 LEU A 54 -0.579 0.577 0.383 1.00 1.82 H new ATOM 0 HD23 LEU A 54 -1.760 -0.664 0.864 1.00 1.82 H new ATOM 872 N LEU A 55 2.489 -0.868 -2.635 1.00 0.63 N ATOM 873 CA LEU A 55 3.755 -0.280 -3.045 1.00 0.65 C ATOM 874 C LEU A 55 3.523 0.953 -3.918 1.00 0.66 C ATOM 875 O LEU A 55 4.298 1.909 -3.869 1.00 0.76 O ATOM 876 CB LEU A 55 4.610 -1.301 -3.796 1.00 0.68 C ATOM 877 CG LEU A 55 5.249 -2.380 -2.921 1.00 0.99 C ATOM 878 CD1 LEU A 55 6.013 -3.374 -3.779 1.00 1.18 C ATOM 879 CD2 LEU A 55 6.172 -1.749 -1.888 1.00 1.87 C ATOM 0 H LEU A 55 2.304 -1.794 -3.021 1.00 0.63 H new ATOM 0 HA LEU A 55 4.289 0.026 -2.145 1.00 0.65 H new ATOM 0 HB2 LEU A 55 3.990 -1.786 -4.550 1.00 0.68 H new ATOM 0 HB3 LEU A 55 5.400 -0.770 -4.327 1.00 0.68 H new ATOM 0 HG LEU A 55 4.457 -2.914 -2.396 1.00 0.99 H new ATOM 0 HD11 LEU A 55 6.462 -4.136 -3.141 1.00 1.18 H new ATOM 0 HD12 LEU A 55 5.329 -3.848 -4.483 1.00 1.18 H new ATOM 0 HD13 LEU A 55 6.797 -2.853 -4.329 1.00 1.18 H new ATOM 0 HD21 LEU A 55 6.619 -2.531 -1.273 1.00 1.87 H new ATOM 0 HD22 LEU A 55 6.960 -1.192 -2.396 1.00 1.87 H new ATOM 0 HD23 LEU A 55 5.600 -1.072 -1.254 1.00 1.87 H new ATOM 891 N ASP A 56 2.445 0.945 -4.699 1.00 0.64 N ATOM 892 CA ASP A 56 2.093 2.100 -5.522 1.00 0.69 C ATOM 893 C ASP A 56 1.590 3.244 -4.644 1.00 0.76 C ATOM 894 O ASP A 56 1.881 4.414 -4.899 1.00 0.90 O ATOM 895 CB ASP A 56 1.014 1.713 -6.539 1.00 0.79 C ATOM 896 CG ASP A 56 0.701 2.827 -7.526 1.00 1.12 C ATOM 897 OD1 ASP A 56 -0.119 3.708 -7.193 1.00 1.59 O ATOM 898 OD2 ASP A 56 1.266 2.828 -8.641 1.00 1.33 O ATOM 0 H ASP A 56 1.803 0.156 -4.779 1.00 0.64 H new ATOM 0 HA ASP A 56 2.984 2.431 -6.055 1.00 0.69 H new ATOM 0 HB2 ASP A 56 1.340 0.830 -7.088 1.00 0.79 H new ATOM 0 HB3 ASP A 56 0.103 1.439 -6.007 1.00 0.79 H new ATOM 903 N MET A 57 0.858 2.890 -3.592 1.00 0.75 N ATOM 904 CA MET A 57 0.322 3.879 -2.662 1.00 0.87 C ATOM 905 C MET A 57 1.443 4.514 -1.853 1.00 0.95 C ATOM 906 O MET A 57 1.352 5.674 -1.459 1.00 1.44 O ATOM 907 CB MET A 57 -0.690 3.243 -1.701 1.00 0.97 C ATOM 908 CG MET A 57 -1.953 2.722 -2.366 1.00 1.08 C ATOM 909 SD MET A 57 -2.861 4.010 -3.235 1.00 1.54 S ATOM 910 CE MET A 57 -4.322 3.110 -3.745 1.00 2.05 C ATOM 0 H MET A 57 0.622 1.925 -3.362 1.00 0.75 H new ATOM 0 HA MET A 57 -0.182 4.644 -3.253 1.00 0.87 H new ATOM 0 HB2 MET A 57 -0.205 2.420 -1.177 1.00 0.97 H new ATOM 0 HB3 MET A 57 -0.969 3.980 -0.948 1.00 0.97 H new ATOM 0 HG2 MET A 57 -1.689 1.932 -3.069 1.00 1.08 H new ATOM 0 HG3 MET A 57 -2.599 2.274 -1.610 1.00 1.08 H new ATOM 0 HE1 MET A 57 -4.870 3.695 -4.483 1.00 2.05 H new ATOM 0 HE2 MET A 57 -4.027 2.157 -4.184 1.00 2.05 H new ATOM 0 HE3 MET A 57 -4.959 2.930 -2.879 1.00 2.05 H new ATOM 920 N LEU A 58 2.506 3.755 -1.630 1.00 0.84 N ATOM 921 CA LEU A 58 3.640 4.232 -0.854 1.00 0.89 C ATOM 922 C LEU A 58 4.415 5.265 -1.667 1.00 0.97 C ATOM 923 O LEU A 58 4.768 6.333 -1.164 1.00 1.36 O ATOM 924 CB LEU A 58 4.548 3.050 -0.475 1.00 0.97 C ATOM 925 CG LEU A 58 5.462 3.248 0.744 1.00 0.87 C ATOM 926 CD1 LEU A 58 6.140 1.937 1.106 1.00 1.63 C ATOM 927 CD2 LEU A 58 6.517 4.315 0.491 1.00 1.59 C ATOM 0 H LEU A 58 2.606 2.801 -1.978 1.00 0.84 H new ATOM 0 HA LEU A 58 3.284 4.701 0.063 1.00 0.89 H new ATOM 0 HB2 LEU A 58 3.917 2.181 -0.290 1.00 0.97 H new ATOM 0 HB3 LEU A 58 5.174 2.812 -1.335 1.00 0.97 H new ATOM 0 HG LEU A 58 4.837 3.581 1.572 1.00 0.87 H new ATOM 0 HD11 LEU A 58 6.786 2.088 1.971 1.00 1.63 H new ATOM 0 HD12 LEU A 58 5.383 1.190 1.344 1.00 1.63 H new ATOM 0 HD13 LEU A 58 6.738 1.592 0.263 1.00 1.63 H new ATOM 0 HD21 LEU A 58 7.143 4.425 1.377 1.00 1.59 H new ATOM 0 HD22 LEU A 58 7.136 4.021 -0.357 1.00 1.59 H new ATOM 0 HD23 LEU A 58 6.029 5.265 0.272 1.00 1.59 H new ATOM 939 N ALA A 59 4.635 4.958 -2.940 1.00 0.84 N ATOM 940 CA ALA A 59 5.432 5.815 -3.807 1.00 0.93 C ATOM 941 C ALA A 59 4.752 7.162 -4.034 1.00 0.99 C ATOM 942 O ALA A 59 5.409 8.204 -4.054 1.00 1.11 O ATOM 943 CB ALA A 59 5.689 5.125 -5.138 1.00 1.07 C ATOM 0 H ALA A 59 4.272 4.120 -3.395 1.00 0.84 H new ATOM 0 HA ALA A 59 6.385 5.999 -3.311 1.00 0.93 H new ATOM 0 HB1 ALA A 59 6.286 5.777 -5.776 1.00 1.07 H new ATOM 0 HB2 ALA A 59 6.227 4.193 -4.967 1.00 1.07 H new ATOM 0 HB3 ALA A 59 4.738 4.910 -5.626 1.00 1.07 H new ATOM 949 N ARG A 60 3.431 7.142 -4.180 1.00 1.13 N ATOM 950 CA ARG A 60 2.685 8.371 -4.415 1.00 1.40 C ATOM 951 C ARG A 60 2.481 9.133 -3.106 1.00 1.53 C ATOM 952 O ARG A 60 2.179 10.327 -3.113 1.00 1.94 O ATOM 953 CB ARG A 60 1.334 8.090 -5.087 1.00 1.59 C ATOM 954 CG ARG A 60 0.243 7.624 -4.139 1.00 1.74 C ATOM 955 CD ARG A 60 -1.077 7.455 -4.871 1.00 1.93 C ATOM 956 NE ARG A 60 -2.209 7.367 -3.950 1.00 2.28 N ATOM 957 CZ ARG A 60 -3.455 7.085 -4.326 1.00 2.83 C ATOM 958 NH1 ARG A 60 -3.720 6.809 -5.601 1.00 3.12 N ATOM 959 NH2 ARG A 60 -4.430 7.073 -3.426 1.00 3.60 N ATOM 0 H ARG A 60 2.861 6.297 -4.140 1.00 1.13 H new ATOM 0 HA ARG A 60 3.272 8.989 -5.094 1.00 1.40 H new ATOM 0 HB2 ARG A 60 0.998 8.996 -5.590 1.00 1.59 H new ATOM 0 HB3 ARG A 60 1.476 7.332 -5.857 1.00 1.59 H new ATOM 0 HG2 ARG A 60 0.533 6.678 -3.682 1.00 1.74 H new ATOM 0 HG3 ARG A 60 0.125 8.346 -3.331 1.00 1.74 H new ATOM 0 HD2 ARG A 60 -1.226 8.296 -5.548 1.00 1.93 H new ATOM 0 HD3 ARG A 60 -1.038 6.555 -5.484 1.00 1.93 H new ATOM 0 HE ARG A 60 -2.034 7.532 -2.959 1.00 2.28 H new ATOM 0 HH11 ARG A 60 -2.968 6.813 -6.291 1.00 3.12 H new ATOM 0 HH12 ARG A 60 -4.675 6.593 -5.888 1.00 3.12 H new ATOM 0 HH21 ARG A 60 -4.224 7.280 -2.449 1.00 3.60 H new ATOM 0 HH22 ARG A 60 -5.385 6.857 -3.712 1.00 3.60 H new ATOM 973 N ALA A 61 2.663 8.441 -1.989 1.00 1.52 N ATOM 974 CA ALA A 61 2.472 9.048 -0.680 1.00 1.79 C ATOM 975 C ALA A 61 3.630 9.977 -0.357 1.00 1.71 C ATOM 976 O ALA A 61 3.438 11.066 0.182 1.00 2.10 O ATOM 977 CB ALA A 61 2.339 7.983 0.393 1.00 1.95 C ATOM 0 H ALA A 61 2.942 7.460 -1.964 1.00 1.52 H new ATOM 0 HA ALA A 61 1.550 9.629 -0.703 1.00 1.79 H new ATOM 0 HB1 ALA A 61 2.197 8.460 1.363 1.00 1.95 H new ATOM 0 HB2 ALA A 61 1.481 7.348 0.171 1.00 1.95 H new ATOM 0 HB3 ALA A 61 3.243 7.375 0.416 1.00 1.95 H new ATOM 983 N GLU A 62 4.833 9.561 -0.729 1.00 1.51 N ATOM 984 CA GLU A 62 6.018 10.348 -0.445 1.00 1.64 C ATOM 985 C GLU A 62 6.236 11.402 -1.526 1.00 1.93 C ATOM 986 O GLU A 62 7.272 12.053 -1.571 1.00 2.42 O ATOM 987 CB GLU A 62 7.255 9.458 -0.297 1.00 1.89 C ATOM 988 CG GLU A 62 7.543 8.575 -1.496 1.00 2.14 C ATOM 989 CD GLU A 62 8.839 7.810 -1.340 1.00 2.57 C ATOM 990 OE1 GLU A 62 8.822 6.735 -0.703 1.00 2.91 O ATOM 991 OE2 GLU A 62 9.875 8.272 -1.855 1.00 2.98 O ATOM 0 H GLU A 62 5.010 8.688 -1.225 1.00 1.51 H new ATOM 0 HA GLU A 62 5.860 10.857 0.506 1.00 1.64 H new ATOM 0 HB2 GLU A 62 8.122 10.092 -0.112 1.00 1.89 H new ATOM 0 HB3 GLU A 62 7.129 8.826 0.582 1.00 1.89 H new ATOM 0 HG2 GLU A 62 6.722 7.872 -1.634 1.00 2.14 H new ATOM 0 HG3 GLU A 62 7.591 9.189 -2.395 1.00 2.14 H new ATOM 998 N ARG A 63 5.244 11.584 -2.390 1.00 2.16 N ATOM 999 CA ARG A 63 5.316 12.603 -3.432 1.00 2.69 C ATOM 1000 C ARG A 63 5.055 13.980 -2.845 1.00 2.85 C ATOM 1001 O ARG A 63 5.284 14.996 -3.497 1.00 3.26 O ATOM 1002 CB ARG A 63 4.288 12.326 -4.532 1.00 3.11 C ATOM 1003 CG ARG A 63 4.748 11.351 -5.603 1.00 3.13 C ATOM 1004 CD ARG A 63 5.916 11.909 -6.400 1.00 3.11 C ATOM 1005 NE ARG A 63 5.998 11.314 -7.732 1.00 2.92 N ATOM 1006 CZ ARG A 63 7.136 10.987 -8.339 1.00 3.14 C ATOM 1007 NH1 ARG A 63 8.298 11.113 -7.706 1.00 3.60 N ATOM 1008 NH2 ARG A 63 7.112 10.522 -9.584 1.00 3.44 N ATOM 0 H ARG A 63 4.381 11.040 -2.390 1.00 2.16 H new ATOM 0 HA ARG A 63 6.318 12.573 -3.861 1.00 2.69 H new ATOM 0 HB2 ARG A 63 3.380 11.936 -4.072 1.00 3.11 H new ATOM 0 HB3 ARG A 63 4.024 13.270 -5.009 1.00 3.11 H new ATOM 0 HG2 ARG A 63 5.040 10.409 -5.138 1.00 3.13 H new ATOM 0 HG3 ARG A 63 3.919 11.130 -6.276 1.00 3.13 H new ATOM 0 HD2 ARG A 63 5.811 12.990 -6.491 1.00 3.11 H new ATOM 0 HD3 ARG A 63 6.845 11.723 -5.861 1.00 3.11 H new ATOM 0 HE ARG A 63 5.125 11.138 -8.229 1.00 2.92 H new ATOM 0 HH11 ARG A 63 8.322 11.462 -6.748 1.00 3.60 H new ATOM 0 HH12 ARG A 63 9.166 10.860 -8.178 1.00 3.60 H new ATOM 0 HH21 ARG A 63 6.223 10.417 -10.072 1.00 3.44 H new ATOM 0 HH22 ARG A 63 7.983 10.271 -10.051 1.00 3.44 H new ATOM 1022 N GLU A 64 4.612 14.004 -1.595 1.00 2.76 N ATOM 1023 CA GLU A 64 4.158 15.235 -0.968 1.00 3.00 C ATOM 1024 C GLU A 64 4.391 15.189 0.539 1.00 3.08 C ATOM 1025 O GLU A 64 3.601 15.731 1.314 1.00 3.72 O ATOM 1026 CB GLU A 64 2.657 15.437 -1.238 1.00 2.97 C ATOM 1027 CG GLU A 64 2.280 15.473 -2.715 1.00 3.43 C ATOM 1028 CD GLU A 64 0.784 15.409 -2.942 1.00 3.74 C ATOM 1029 OE1 GLU A 64 0.127 16.466 -2.891 1.00 4.00 O ATOM 1030 OE2 GLU A 64 0.259 14.299 -3.186 1.00 4.07 O ATOM 0 H GLU A 64 4.558 13.181 -0.995 1.00 2.76 H new ATOM 0 HA GLU A 64 4.726 16.063 -1.392 1.00 3.00 H new ATOM 0 HB2 GLU A 64 2.102 14.633 -0.754 1.00 2.97 H new ATOM 0 HB3 GLU A 64 2.339 16.370 -0.772 1.00 2.97 H new ATOM 0 HG2 GLU A 64 2.672 16.386 -3.163 1.00 3.43 H new ATOM 0 HG3 GLU A 64 2.756 14.637 -3.227 1.00 3.43 H new ATOM 1037 N LYS A 65 5.471 14.532 0.959 1.00 2.73 N ATOM 1038 CA LYS A 65 5.807 14.485 2.379 1.00 2.95 C ATOM 1039 C LYS A 65 7.280 14.149 2.618 1.00 2.86 C ATOM 1040 O LYS A 65 7.650 13.744 3.719 1.00 3.37 O ATOM 1041 CB LYS A 65 4.919 13.469 3.107 1.00 3.11 C ATOM 1042 CG LYS A 65 5.164 12.025 2.701 1.00 3.54 C ATOM 1043 CD LYS A 65 4.250 11.051 3.446 1.00 3.77 C ATOM 1044 CE LYS A 65 4.567 10.961 4.937 1.00 3.79 C ATOM 1045 NZ LYS A 65 4.051 12.125 5.709 1.00 4.11 N ATOM 0 H LYS A 65 6.118 14.033 0.348 1.00 2.73 H new ATOM 0 HA LYS A 65 5.627 15.482 2.780 1.00 2.95 H new ATOM 0 HB2 LYS A 65 5.081 13.565 4.181 1.00 3.11 H new ATOM 0 HB3 LYS A 65 3.874 13.716 2.919 1.00 3.11 H new ATOM 0 HG2 LYS A 65 5.006 11.920 1.628 1.00 3.54 H new ATOM 0 HG3 LYS A 65 6.204 11.766 2.897 1.00 3.54 H new ATOM 0 HD2 LYS A 65 3.214 11.363 3.318 1.00 3.77 H new ATOM 0 HD3 LYS A 65 4.342 10.061 3.000 1.00 3.77 H new ATOM 0 HE2 LYS A 65 4.137 10.044 5.340 1.00 3.79 H new ATOM 0 HE3 LYS A 65 5.647 10.892 5.071 1.00 3.79 H new ATOM 0 HZ1 LYS A 65 4.843 12.746 5.971 1.00 4.11 H new ATOM 0 HZ2 LYS A 65 3.373 12.656 5.125 1.00 4.11 H new ATOM 0 HZ3 LYS A 65 3.576 11.787 6.570 1.00 4.11 H new ATOM 1059 N LYS A 66 8.128 14.322 1.611 1.00 2.75 N ATOM 1060 CA LYS A 66 9.549 14.033 1.784 1.00 2.95 C ATOM 1061 C LYS A 66 10.396 15.270 1.484 1.00 3.53 C ATOM 1062 O LYS A 66 10.462 15.700 0.314 1.00 3.96 O ATOM 1063 CB LYS A 66 9.991 12.821 0.940 1.00 2.95 C ATOM 1064 CG LYS A 66 9.971 13.039 -0.565 1.00 3.03 C ATOM 1065 CD LYS A 66 10.275 11.758 -1.328 1.00 3.31 C ATOM 1066 CE LYS A 66 11.611 11.150 -0.934 1.00 3.21 C ATOM 1067 NZ LYS A 66 11.923 9.953 -1.757 1.00 3.29 N ATOM 1068 OXT LYS A 66 10.988 15.819 2.433 1.00 4.01 O ATOM 0 H LYS A 66 7.865 14.654 0.683 1.00 2.75 H new ATOM 0 HA LYS A 66 9.709 13.766 2.828 1.00 2.95 H new ATOM 0 HB2 LYS A 66 11.002 12.541 1.237 1.00 2.95 H new ATOM 0 HB3 LYS A 66 9.343 11.977 1.178 1.00 2.95 H new ATOM 0 HG2 LYS A 66 8.993 13.416 -0.864 1.00 3.03 H new ATOM 0 HG3 LYS A 66 10.702 13.802 -0.831 1.00 3.03 H new ATOM 0 HD2 LYS A 66 9.482 11.033 -1.146 1.00 3.31 H new ATOM 0 HD3 LYS A 66 10.276 11.967 -2.398 1.00 3.31 H new ATOM 0 HE2 LYS A 66 12.400 11.892 -1.054 1.00 3.21 H new ATOM 0 HE3 LYS A 66 11.591 10.874 0.120 1.00 3.21 H new ATOM 0 HZ1 LYS A 66 12.833 9.550 -1.453 1.00 3.29 H new ATOM 0 HZ2 LYS A 66 11.173 9.243 -1.636 1.00 3.29 H new ATOM 0 HZ3 LYS A 66 11.983 10.226 -2.759 1.00 3.29 H new