USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ -162:sc= -0.0678 (180deg=-0.429) USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 7 TYR OH : rot -35:sc= 0.568 USER MOD Single : A 9 SER OG : rot -170:sc= -0.761 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 91:sc= 0.0443 USER MOD Single : A 32 HIS : no HE2:sc= 0.608 K(o=0.61,f=-2.2!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.114 USER MOD Single : A 39 GLN : amide:sc= -1.71 K(o=-1.7,f=-3.8!) USER MOD Single : A 44 MET CE :methyl 143:sc= -5.37! (180deg=-8.21!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.12! C(o=-2.1!,f=-2.9!) USER MOD Single : A 61 LYS NZ :NH3+ -141:sc= -2.86 (180deg=-4.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.138) USER MOD ----------------------------------------------------------------- ATOM 39 N LYS A 3 0.159 -5.696 -1.325 1.00 45.43 N ATOM 40 CA LYS A 3 -0.810 -6.519 -0.613 1.00 11.04 C ATOM 41 C LYS A 3 -0.108 -7.571 0.240 1.00 11.02 C ATOM 42 O LYS A 3 0.689 -8.362 -0.265 1.00 43.41 O ATOM 43 CB LYS A 3 -1.758 -7.199 -1.603 1.00 30.32 C ATOM 44 CG LYS A 3 -2.892 -7.959 -0.936 1.00 2.33 C ATOM 45 CD LYS A 3 -3.915 -8.438 -1.951 1.00 72.33 C ATOM 46 CE LYS A 3 -4.775 -7.292 -2.460 1.00 40.44 C ATOM 47 NZ LYS A 3 -5.611 -6.702 -1.378 1.00 73.52 N ATOM 0 HA LYS A 3 -1.387 -5.869 0.045 1.00 11.04 H new ATOM 0 HB2 LYS A 3 -2.179 -6.444 -2.267 1.00 30.32 H new ATOM 0 HB3 LYS A 3 -1.187 -7.888 -2.225 1.00 30.32 H new ATOM 0 HG2 LYS A 3 -2.489 -8.814 -0.394 1.00 2.33 H new ATOM 0 HG3 LYS A 3 -3.379 -7.317 -0.202 1.00 2.33 H new ATOM 0 HD2 LYS A 3 -3.403 -8.910 -2.790 1.00 72.33 H new ATOM 0 HD3 LYS A 3 -4.551 -9.198 -1.497 1.00 72.33 H new ATOM 0 HE2 LYS A 3 -4.135 -6.520 -2.886 1.00 40.44 H new ATOM 0 HE3 LYS A 3 -5.420 -7.651 -3.262 1.00 40.44 H new ATOM 0 HZ1 LYS A 3 -6.386 -6.151 -1.799 1.00 73.52 H new ATOM 0 HZ2 LYS A 3 -6.007 -7.464 -0.791 1.00 73.52 H new ATOM 0 HZ3 LYS A 3 -5.025 -6.079 -0.787 1.00 73.52 H new ATOM 61 N ILE A 4 -0.411 -7.575 1.534 1.00 62.51 N ATOM 62 CA ILE A 4 0.190 -8.532 2.455 1.00 34.31 C ATOM 63 C ILE A 4 -0.247 -9.957 2.130 1.00 51.31 C ATOM 64 O ILE A 4 -1.372 -10.356 2.431 1.00 21.55 O ATOM 65 CB ILE A 4 -0.180 -8.215 3.916 1.00 23.02 C ATOM 66 CG1 ILE A 4 0.134 -6.753 4.238 1.00 2.44 C ATOM 67 CG2 ILE A 4 0.564 -9.144 4.864 1.00 4.52 C ATOM 68 CD1 ILE A 4 1.601 -6.406 4.108 1.00 71.44 C ATOM 0 H ILE A 4 -1.068 -6.927 1.968 1.00 62.51 H new ATOM 0 HA ILE A 4 1.270 -8.449 2.336 1.00 34.31 H new ATOM 0 HB ILE A 4 -1.250 -8.375 4.048 1.00 23.02 H new ATOM 0 HG12 ILE A 4 -0.443 -6.111 3.572 1.00 2.44 H new ATOM 0 HG13 ILE A 4 -0.194 -6.535 5.254 1.00 2.44 H new ATOM 0 HG21 ILE A 4 0.292 -8.908 5.893 1.00 4.52 H new ATOM 0 HG22 ILE A 4 0.295 -10.178 4.646 1.00 4.52 H new ATOM 0 HG23 ILE A 4 1.638 -9.013 4.733 1.00 4.52 H new ATOM 0 HD11 ILE A 4 1.749 -5.354 4.351 1.00 71.44 H new ATOM 0 HD12 ILE A 4 2.183 -7.022 4.793 1.00 71.44 H new ATOM 0 HD13 ILE A 4 1.930 -6.592 3.085 1.00 71.44 H new ATOM 80 N TYR A 5 0.650 -10.719 1.515 1.00 43.32 N ATOM 81 CA TYR A 5 0.358 -12.099 1.148 1.00 70.30 C ATOM 82 C TYR A 5 0.795 -13.060 2.249 1.00 5.04 C ATOM 83 O TYR A 5 1.621 -12.733 3.102 1.00 10.13 O ATOM 84 CB TYR A 5 1.056 -12.459 -0.165 1.00 11.03 C ATOM 85 CG TYR A 5 0.257 -12.093 -1.395 1.00 42.23 C ATOM 86 CD1 TYR A 5 -1.061 -12.505 -1.540 1.00 75.31 C ATOM 87 CD2 TYR A 5 0.821 -11.333 -2.413 1.00 25.12 C ATOM 88 CE1 TYR A 5 -1.794 -12.174 -2.663 1.00 54.31 C ATOM 89 CE2 TYR A 5 0.096 -10.995 -3.539 1.00 35.43 C ATOM 90 CZ TYR A 5 -1.212 -11.418 -3.659 1.00 63.44 C ATOM 91 OH TYR A 5 -1.939 -11.085 -4.779 1.00 0.31 O ATOM 0 H TYR A 5 1.586 -10.404 1.260 1.00 43.32 H new ATOM 0 HA TYR A 5 -0.720 -12.192 1.016 1.00 70.30 H new ATOM 0 HB2 TYR A 5 2.021 -11.953 -0.205 1.00 11.03 H new ATOM 0 HB3 TYR A 5 1.257 -13.530 -0.178 1.00 11.03 H new ATOM 0 HD1 TYR A 5 -1.521 -13.095 -0.761 1.00 75.31 H new ATOM 0 HD2 TYR A 5 1.845 -11.001 -2.322 1.00 25.12 H new ATOM 0 HE1 TYR A 5 -2.817 -12.505 -2.761 1.00 54.31 H new ATOM 0 HE2 TYR A 5 0.550 -10.404 -4.320 1.00 35.43 H new ATOM 0 HH TYR A 5 -2.888 -11.015 -4.544 1.00 0.31 H new ATOM 101 N PRO A 6 0.230 -14.276 2.232 1.00 54.14 N ATOM 102 CA PRO A 6 0.546 -15.311 3.220 1.00 12.25 C ATOM 103 C PRO A 6 1.959 -15.858 3.055 1.00 62.53 C ATOM 104 O PRO A 6 2.363 -16.238 1.955 1.00 4.12 O ATOM 105 CB PRO A 6 -0.488 -16.403 2.934 1.00 2.20 C ATOM 106 CG PRO A 6 -0.853 -16.213 1.502 1.00 5.01 C ATOM 107 CD PRO A 6 -0.762 -14.734 1.244 1.00 31.33 C ATOM 0 HA PRO A 6 0.508 -14.926 4.239 1.00 12.25 H new ATOM 0 HB2 PRO A 6 -0.074 -17.396 3.109 1.00 2.20 H new ATOM 0 HB3 PRO A 6 -1.359 -16.303 3.581 1.00 2.20 H new ATOM 0 HG2 PRO A 6 -0.176 -16.765 0.850 1.00 5.01 H new ATOM 0 HG3 PRO A 6 -1.859 -16.583 1.303 1.00 5.01 H new ATOM 0 HD2 PRO A 6 -0.440 -14.523 0.224 1.00 31.33 H new ATOM 0 HD3 PRO A 6 -1.725 -14.242 1.383 1.00 31.33 H new ATOM 115 N TYR A 7 2.706 -15.897 4.152 1.00 21.34 N ATOM 116 CA TYR A 7 4.076 -16.397 4.128 1.00 74.12 C ATOM 117 C TYR A 7 4.104 -17.895 3.842 1.00 73.44 C ATOM 118 O TYR A 7 5.028 -18.400 3.204 1.00 4.13 O ATOM 119 CB TYR A 7 4.770 -16.108 5.459 1.00 3.15 C ATOM 120 CG TYR A 7 6.124 -16.768 5.592 1.00 30.33 C ATOM 121 CD1 TYR A 7 7.247 -16.224 4.982 1.00 24.33 C ATOM 122 CD2 TYR A 7 6.279 -17.936 6.329 1.00 64.30 C ATOM 123 CE1 TYR A 7 8.486 -16.825 5.100 1.00 13.04 C ATOM 124 CE2 TYR A 7 7.514 -18.543 6.454 1.00 63.02 C ATOM 125 CZ TYR A 7 8.614 -17.984 5.837 1.00 2.13 C ATOM 126 OH TYR A 7 9.846 -18.584 5.959 1.00 63.44 O ATOM 0 H TYR A 7 2.386 -15.588 5.070 1.00 21.34 H new ATOM 0 HA TYR A 7 4.609 -15.883 3.329 1.00 74.12 H new ATOM 0 HB2 TYR A 7 4.888 -15.030 5.571 1.00 3.15 H new ATOM 0 HB3 TYR A 7 4.129 -16.445 6.274 1.00 3.15 H new ATOM 0 HD1 TYR A 7 7.150 -15.316 4.406 1.00 24.33 H new ATOM 0 HD2 TYR A 7 5.420 -18.377 6.812 1.00 64.30 H new ATOM 0 HE1 TYR A 7 9.349 -16.390 4.618 1.00 13.04 H new ATOM 0 HE2 TYR A 7 7.618 -19.450 7.031 1.00 63.02 H new ATOM 0 HH TYR A 7 10.347 -18.476 5.123 1.00 63.44 H new ATOM 136 N ASP A 8 3.083 -18.601 4.317 1.00 4.10 N ATOM 137 CA ASP A 8 2.988 -20.042 4.112 1.00 44.42 C ATOM 138 C ASP A 8 2.789 -20.368 2.635 1.00 31.10 C ATOM 139 O ASP A 8 3.300 -21.371 2.136 1.00 11.23 O ATOM 140 CB ASP A 8 1.837 -20.621 4.935 1.00 52.30 C ATOM 141 CG ASP A 8 0.556 -19.824 4.780 1.00 4.20 C ATOM 142 OD1 ASP A 8 0.465 -18.728 5.371 1.00 11.13 O ATOM 143 OD2 ASP A 8 -0.355 -20.296 4.068 1.00 24.51 O ATOM 0 H ASP A 8 2.310 -18.199 4.847 1.00 4.10 H new ATOM 0 HA ASP A 8 3.923 -20.494 4.443 1.00 44.42 H new ATOM 0 HB2 ASP A 8 1.659 -21.652 4.630 1.00 52.30 H new ATOM 0 HB3 ASP A 8 2.122 -20.644 5.987 1.00 52.30 H new ATOM 148 N SER A 9 2.042 -19.515 1.941 1.00 32.23 N ATOM 149 CA SER A 9 1.770 -19.716 0.523 1.00 45.44 C ATOM 150 C SER A 9 2.818 -19.013 -0.335 1.00 65.34 C ATOM 151 O SER A 9 2.987 -19.330 -1.514 1.00 11.02 O ATOM 152 CB SER A 9 0.375 -19.196 0.170 1.00 22.43 C ATOM 153 OG SER A 9 -0.430 -19.070 1.330 1.00 62.33 O ATOM 0 H SER A 9 1.615 -18.678 2.338 1.00 32.23 H new ATOM 0 HA SER A 9 1.814 -20.786 0.318 1.00 45.44 H new ATOM 0 HB2 SER A 9 0.458 -18.229 -0.326 1.00 22.43 H new ATOM 0 HB3 SER A 9 -0.102 -19.876 -0.536 1.00 22.43 H new ATOM 0 HG SER A 9 -1.357 -18.890 1.067 1.00 62.33 H new ATOM 159 N LEU A 10 3.521 -18.058 0.264 1.00 55.13 N ATOM 160 CA LEU A 10 4.553 -17.309 -0.444 1.00 62.01 C ATOM 161 C LEU A 10 5.849 -18.110 -0.523 1.00 50.12 C ATOM 162 O LEU A 10 6.515 -18.131 -1.559 1.00 34.10 O ATOM 163 CB LEU A 10 4.809 -15.971 0.252 1.00 32.34 C ATOM 164 CG LEU A 10 4.030 -14.772 -0.291 1.00 24.44 C ATOM 165 CD1 LEU A 10 4.348 -13.521 0.514 1.00 72.34 C ATOM 166 CD2 LEU A 10 4.344 -14.556 -1.764 1.00 2.42 C ATOM 0 H LEU A 10 3.395 -17.784 1.238 1.00 55.13 H new ATOM 0 HA LEU A 10 4.200 -17.122 -1.458 1.00 62.01 H new ATOM 0 HB2 LEU A 10 4.572 -16.084 1.310 1.00 32.34 H new ATOM 0 HB3 LEU A 10 5.874 -15.747 0.185 1.00 32.34 H new ATOM 0 HG LEU A 10 2.964 -14.980 -0.194 1.00 24.44 H new ATOM 0 HD11 LEU A 10 3.785 -12.678 0.114 1.00 72.34 H new ATOM 0 HD12 LEU A 10 4.072 -13.679 1.557 1.00 72.34 H new ATOM 0 HD13 LEU A 10 5.415 -13.308 0.449 1.00 72.34 H new ATOM 0 HD21 LEU A 10 3.781 -13.699 -2.134 1.00 2.42 H new ATOM 0 HD22 LEU A 10 5.411 -14.369 -1.885 1.00 2.42 H new ATOM 0 HD23 LEU A 10 4.065 -15.445 -2.330 1.00 2.42 H new ATOM 178 N ILE A 11 6.199 -18.769 0.576 1.00 3.53 N ATOM 179 CA ILE A 11 7.413 -19.573 0.630 1.00 64.53 C ATOM 180 C ILE A 11 7.470 -20.560 -0.531 1.00 62.34 C ATOM 181 O ILE A 11 6.547 -21.348 -0.736 1.00 71.44 O ATOM 182 CB ILE A 11 7.515 -20.351 1.955 1.00 23.12 C ATOM 183 CG1 ILE A 11 6.221 -21.122 2.220 1.00 34.31 C ATOM 184 CG2 ILE A 11 7.817 -19.401 3.105 1.00 61.33 C ATOM 185 CD1 ILE A 11 6.216 -21.860 3.541 1.00 63.35 C ATOM 0 H ILE A 11 5.659 -18.762 1.441 1.00 3.53 H new ATOM 0 HA ILE A 11 8.253 -18.882 0.559 1.00 64.53 H new ATOM 0 HB ILE A 11 8.333 -21.067 1.877 1.00 23.12 H new ATOM 0 HG12 ILE A 11 5.382 -20.426 2.199 1.00 34.31 H new ATOM 0 HG13 ILE A 11 6.062 -21.837 1.413 1.00 34.31 H new ATOM 0 HG21 ILE A 11 7.886 -19.966 4.035 1.00 61.33 H new ATOM 0 HG22 ILE A 11 8.763 -18.893 2.918 1.00 61.33 H new ATOM 0 HG23 ILE A 11 7.019 -18.663 3.187 1.00 61.33 H new ATOM 0 HD11 ILE A 11 5.268 -22.384 3.661 1.00 63.35 H new ATOM 0 HD12 ILE A 11 7.034 -22.581 3.558 1.00 63.35 H new ATOM 0 HD13 ILE A 11 6.343 -21.148 4.356 1.00 63.35 H new ATOM 197 N VAL A 12 8.562 -20.513 -1.288 1.00 51.24 N ATOM 198 CA VAL A 12 8.742 -21.405 -2.428 1.00 15.42 C ATOM 199 C VAL A 12 8.681 -22.866 -1.997 1.00 12.21 C ATOM 200 O VAL A 12 8.335 -23.745 -2.788 1.00 2.55 O ATOM 201 CB VAL A 12 10.084 -21.145 -3.137 1.00 71.42 C ATOM 202 CG1 VAL A 12 10.269 -19.659 -3.403 1.00 62.31 C ATOM 203 CG2 VAL A 12 11.237 -21.696 -2.312 1.00 2.30 C ATOM 0 H VAL A 12 9.336 -19.867 -1.132 1.00 51.24 H new ATOM 0 HA VAL A 12 7.927 -21.200 -3.123 1.00 15.42 H new ATOM 0 HB VAL A 12 10.075 -21.662 -4.097 1.00 71.42 H new ATOM 0 HG11 VAL A 12 11.223 -19.495 -3.904 1.00 62.31 H new ATOM 0 HG12 VAL A 12 9.459 -19.299 -4.037 1.00 62.31 H new ATOM 0 HG13 VAL A 12 10.258 -19.116 -2.458 1.00 62.31 H new ATOM 0 HG21 VAL A 12 12.178 -21.504 -2.828 1.00 2.30 H new ATOM 0 HG22 VAL A 12 11.252 -21.209 -1.337 1.00 2.30 H new ATOM 0 HG23 VAL A 12 11.109 -22.770 -2.180 1.00 2.30 H new ATOM 213 N THR A 13 9.019 -23.120 -0.737 1.00 32.05 N ATOM 214 CA THR A 13 9.004 -24.475 -0.200 1.00 14.24 C ATOM 215 C THR A 13 7.630 -25.116 -0.364 1.00 65.13 C ATOM 216 O THR A 13 7.515 -26.334 -0.493 1.00 25.22 O ATOM 217 CB THR A 13 9.390 -24.493 1.291 1.00 4.43 C ATOM 218 OG1 THR A 13 9.355 -25.834 1.791 1.00 63.34 O ATOM 219 CG2 THR A 13 8.448 -23.618 2.105 1.00 24.43 C ATOM 0 H THR A 13 9.307 -22.405 -0.069 1.00 32.05 H new ATOM 0 HA THR A 13 9.740 -25.047 -0.766 1.00 14.24 H new ATOM 0 HB THR A 13 10.401 -24.097 1.386 1.00 4.43 H new ATOM 0 HG1 THR A 13 9.603 -25.836 2.739 1.00 63.34 H new ATOM 0 HG21 THR A 13 8.741 -23.647 3.155 1.00 24.43 H new ATOM 0 HG22 THR A 13 8.500 -22.592 1.742 1.00 24.43 H new ATOM 0 HG23 THR A 13 7.428 -23.988 2.002 1.00 24.43 H new ATOM 227 N ASN A 14 6.591 -24.288 -0.360 1.00 42.31 N ATOM 228 CA ASN A 14 5.225 -24.775 -0.509 1.00 53.04 C ATOM 229 C ASN A 14 4.722 -24.556 -1.933 1.00 73.21 C ATOM 230 O ASN A 14 3.548 -24.781 -2.229 1.00 30.01 O ATOM 231 CB ASN A 14 4.299 -24.071 0.484 1.00 33.05 C ATOM 232 CG ASN A 14 3.630 -25.042 1.439 1.00 40.52 C ATOM 233 OD1 ASN A 14 4.279 -25.615 2.314 1.00 73.11 O ATOM 234 ND2 ASN A 14 2.326 -25.230 1.274 1.00 51.34 N ATOM 0 H ASN A 14 6.669 -23.276 -0.255 1.00 42.31 H new ATOM 0 HA ASN A 14 5.223 -25.845 -0.302 1.00 53.04 H new ATOM 0 HB2 ASN A 14 4.871 -23.340 1.055 1.00 33.05 H new ATOM 0 HB3 ASN A 14 3.535 -23.520 -0.064 1.00 33.05 H new ATOM 0 HD21 ASN A 14 1.822 -25.871 1.886 1.00 51.34 H new ATOM 0 HD22 ASN A 14 1.829 -24.733 0.535 1.00 51.34 H new ATOM 241 N ARG A 15 5.618 -24.117 -2.811 1.00 30.04 N ATOM 242 CA ARG A 15 5.265 -23.867 -4.203 1.00 23.30 C ATOM 243 C ARG A 15 4.635 -25.105 -4.834 1.00 72.15 C ATOM 244 O ARG A 15 3.861 -25.002 -5.787 1.00 22.11 O ATOM 245 CB ARG A 15 6.504 -23.451 -4.998 1.00 51.32 C ATOM 246 CG ARG A 15 7.415 -24.612 -5.359 1.00 24.32 C ATOM 247 CD ARG A 15 8.842 -24.146 -5.605 1.00 14.30 C ATOM 248 NE ARG A 15 9.034 -23.671 -6.973 1.00 12.03 N ATOM 249 CZ ARG A 15 10.169 -23.142 -7.414 1.00 43.51 C ATOM 250 NH1 ARG A 15 11.209 -23.020 -6.600 1.00 33.31 N ATOM 251 NH2 ARG A 15 10.267 -22.733 -8.673 1.00 11.54 N ATOM 0 H ARG A 15 6.594 -23.927 -2.583 1.00 30.04 H new ATOM 0 HA ARG A 15 4.536 -23.057 -4.228 1.00 23.30 H new ATOM 0 HB2 ARG A 15 6.187 -22.951 -5.913 1.00 51.32 H new ATOM 0 HB3 ARG A 15 7.070 -22.723 -4.417 1.00 51.32 H new ATOM 0 HG2 ARG A 15 7.405 -25.347 -4.554 1.00 24.32 H new ATOM 0 HG3 ARG A 15 7.035 -25.110 -6.251 1.00 24.32 H new ATOM 0 HD2 ARG A 15 9.088 -23.347 -4.906 1.00 14.30 H new ATOM 0 HD3 ARG A 15 9.531 -24.967 -5.406 1.00 14.30 H new ATOM 0 HE ARG A 15 8.254 -23.750 -7.625 1.00 12.03 H new ATOM 0 HH11 ARG A 15 11.138 -23.333 -5.632 1.00 33.31 H new ATOM 0 HH12 ARG A 15 12.079 -22.613 -6.942 1.00 33.31 H new ATOM 0 HH21 ARG A 15 9.470 -22.825 -9.303 1.00 11.54 H new ATOM 0 HH22 ARG A 15 11.139 -22.327 -9.011 1.00 11.54 H new ATOM 265 N ILE A 16 4.971 -26.273 -4.298 1.00 64.21 N ATOM 266 CA ILE A 16 4.438 -27.530 -4.809 1.00 11.22 C ATOM 267 C ILE A 16 2.972 -27.701 -4.425 1.00 51.13 C ATOM 268 O ILE A 16 2.200 -28.330 -5.149 1.00 31.42 O ATOM 269 CB ILE A 16 5.238 -28.736 -4.284 1.00 24.14 C ATOM 270 CG1 ILE A 16 4.744 -30.028 -4.938 1.00 11.13 C ATOM 271 CG2 ILE A 16 5.127 -28.827 -2.769 1.00 2.30 C ATOM 272 CD1 ILE A 16 5.811 -30.752 -5.729 1.00 0.52 C ATOM 0 H ILE A 16 5.610 -26.375 -3.510 1.00 64.21 H new ATOM 0 HA ILE A 16 4.525 -27.492 -5.895 1.00 11.22 H new ATOM 0 HB ILE A 16 6.287 -28.597 -4.544 1.00 24.14 H new ATOM 0 HG12 ILE A 16 4.362 -30.694 -4.164 1.00 11.13 H new ATOM 0 HG13 ILE A 16 3.909 -29.795 -5.599 1.00 11.13 H new ATOM 0 HG21 ILE A 16 5.698 -29.685 -2.413 1.00 2.30 H new ATOM 0 HG22 ILE A 16 5.523 -27.916 -2.320 1.00 2.30 H new ATOM 0 HG23 ILE A 16 4.081 -28.946 -2.487 1.00 2.30 H new ATOM 0 HD11 ILE A 16 5.389 -31.658 -6.164 1.00 0.52 H new ATOM 0 HD12 ILE A 16 6.177 -30.103 -6.525 1.00 0.52 H new ATOM 0 HD13 ILE A 16 6.637 -31.017 -5.069 1.00 0.52 H new ATOM 284 N ARG A 17 2.595 -27.135 -3.284 1.00 13.14 N ATOM 285 CA ARG A 17 1.221 -27.224 -2.804 1.00 72.10 C ATOM 286 C ARG A 17 0.374 -26.086 -3.366 1.00 72.11 C ATOM 287 O ARG A 17 -0.761 -26.296 -3.795 1.00 62.14 O ATOM 288 CB ARG A 17 1.189 -27.191 -1.275 1.00 12.21 C ATOM 289 CG ARG A 17 2.262 -28.049 -0.624 1.00 54.24 C ATOM 290 CD ARG A 17 2.211 -29.482 -1.130 1.00 62.11 C ATOM 291 NE ARG A 17 3.204 -30.329 -0.475 1.00 21.04 N ATOM 292 CZ ARG A 17 3.269 -31.646 -0.636 1.00 54.15 C ATOM 293 NH1 ARG A 17 2.403 -32.263 -1.428 1.00 74.03 N ATOM 294 NH2 ARG A 17 4.201 -32.348 -0.006 1.00 23.22 N ATOM 0 H ARG A 17 3.222 -26.610 -2.674 1.00 13.14 H new ATOM 0 HA ARG A 17 0.803 -28.170 -3.149 1.00 72.10 H new ATOM 0 HB2 ARG A 17 1.307 -26.161 -0.940 1.00 12.21 H new ATOM 0 HB3 ARG A 17 0.210 -27.527 -0.933 1.00 12.21 H new ATOM 0 HG2 ARG A 17 3.244 -27.624 -0.830 1.00 54.24 H new ATOM 0 HG3 ARG A 17 2.131 -28.039 0.458 1.00 54.24 H new ATOM 0 HD2 ARG A 17 1.216 -29.892 -0.959 1.00 62.11 H new ATOM 0 HD3 ARG A 17 2.379 -29.492 -2.207 1.00 62.11 H new ATOM 0 HE ARG A 17 3.886 -29.885 0.140 1.00 21.04 H new ATOM 0 HH11 ARG A 17 1.685 -31.726 -1.915 1.00 74.03 H new ATOM 0 HH12 ARG A 17 2.455 -33.274 -1.550 1.00 74.03 H new ATOM 0 HH21 ARG A 17 4.870 -31.877 0.603 1.00 23.22 H new ATOM 0 HH22 ARG A 17 4.249 -33.359 -0.131 1.00 23.22 H new ATOM 308 N VAL A 18 0.933 -24.880 -3.360 1.00 32.14 N ATOM 309 CA VAL A 18 0.230 -23.709 -3.869 1.00 13.21 C ATOM 310 C VAL A 18 1.197 -22.728 -4.522 1.00 21.00 C ATOM 311 O VAL A 18 2.219 -22.365 -3.939 1.00 61.31 O ATOM 312 CB VAL A 18 -0.540 -22.985 -2.748 1.00 43.43 C ATOM 313 CG1 VAL A 18 0.405 -22.579 -1.627 1.00 62.33 C ATOM 314 CG2 VAL A 18 -1.273 -21.773 -3.303 1.00 41.31 C ATOM 0 H VAL A 18 1.871 -24.689 -3.008 1.00 32.14 H new ATOM 0 HA VAL A 18 -0.480 -24.066 -4.615 1.00 13.21 H new ATOM 0 HB VAL A 18 -1.280 -23.672 -2.337 1.00 43.43 H new ATOM 0 HG11 VAL A 18 -0.157 -22.069 -0.844 1.00 62.33 H new ATOM 0 HG12 VAL A 18 0.880 -23.468 -1.212 1.00 62.33 H new ATOM 0 HG13 VAL A 18 1.169 -21.909 -2.020 1.00 62.33 H new ATOM 0 HG21 VAL A 18 -1.812 -21.273 -2.498 1.00 41.31 H new ATOM 0 HG22 VAL A 18 -0.553 -21.082 -3.742 1.00 41.31 H new ATOM 0 HG23 VAL A 18 -1.980 -22.094 -4.068 1.00 41.31 H new ATOM 324 N LYS A 19 0.868 -22.301 -5.736 1.00 70.04 N ATOM 325 CA LYS A 19 1.706 -21.360 -6.470 1.00 71.02 C ATOM 326 C LYS A 19 1.316 -19.920 -6.151 1.00 31.44 C ATOM 327 O LYS A 19 0.176 -19.644 -5.773 1.00 64.30 O ATOM 328 CB LYS A 19 1.590 -21.609 -7.976 1.00 12.22 C ATOM 329 CG LYS A 19 0.166 -21.525 -8.498 1.00 41.32 C ATOM 330 CD LYS A 19 -0.399 -22.902 -8.802 1.00 64.30 C ATOM 331 CE LYS A 19 -1.792 -23.075 -8.216 1.00 63.25 C ATOM 332 NZ LYS A 19 -2.842 -22.512 -9.109 1.00 13.11 N ATOM 0 H LYS A 19 0.026 -22.592 -6.233 1.00 70.04 H new ATOM 0 HA LYS A 19 2.740 -21.515 -6.160 1.00 71.02 H new ATOM 0 HB2 LYS A 19 2.205 -20.881 -8.505 1.00 12.22 H new ATOM 0 HB3 LYS A 19 1.995 -22.595 -8.205 1.00 12.22 H new ATOM 0 HG2 LYS A 19 -0.464 -21.027 -7.761 1.00 41.32 H new ATOM 0 HG3 LYS A 19 0.144 -20.914 -9.401 1.00 41.32 H new ATOM 0 HD2 LYS A 19 -0.436 -23.051 -9.881 1.00 64.30 H new ATOM 0 HD3 LYS A 19 0.265 -23.666 -8.397 1.00 64.30 H new ATOM 0 HE2 LYS A 19 -1.987 -24.134 -8.049 1.00 63.25 H new ATOM 0 HE3 LYS A 19 -1.841 -22.585 -7.244 1.00 63.25 H new ATOM 0 HZ1 LYS A 19 -3.777 -22.649 -8.675 1.00 13.11 H new ATOM 0 HZ2 LYS A 19 -2.671 -21.496 -9.248 1.00 13.11 H new ATOM 0 HZ3 LYS A 19 -2.813 -22.997 -10.028 1.00 13.11 H new ATOM 346 N LEU A 20 2.267 -19.006 -6.305 1.00 64.43 N ATOM 347 CA LEU A 20 2.023 -17.594 -6.035 1.00 12.04 C ATOM 348 C LEU A 20 0.994 -17.024 -7.006 1.00 0.43 C ATOM 349 O LEU A 20 0.840 -17.495 -8.133 1.00 0.33 O ATOM 350 CB LEU A 20 3.328 -16.802 -6.133 1.00 72.10 C ATOM 351 CG LEU A 20 4.538 -17.412 -5.425 1.00 62.35 C ATOM 352 CD1 LEU A 20 5.743 -16.492 -5.540 1.00 4.11 C ATOM 353 CD2 LEU A 20 4.216 -17.694 -3.965 1.00 44.40 C ATOM 0 H LEU A 20 3.215 -19.218 -6.616 1.00 64.43 H new ATOM 0 HA LEU A 20 1.628 -17.506 -5.023 1.00 12.04 H new ATOM 0 HB2 LEU A 20 3.575 -16.676 -7.187 1.00 72.10 H new ATOM 0 HB3 LEU A 20 3.157 -15.806 -5.724 1.00 72.10 H new ATOM 0 HG LEU A 20 4.781 -18.357 -5.911 1.00 62.35 H new ATOM 0 HD11 LEU A 20 6.595 -16.942 -5.030 1.00 4.11 H new ATOM 0 HD12 LEU A 20 5.987 -16.342 -6.592 1.00 4.11 H new ATOM 0 HD13 LEU A 20 5.512 -15.531 -5.081 1.00 4.11 H new ATOM 0 HD21 LEU A 20 5.089 -18.128 -3.477 1.00 44.40 H new ATOM 0 HD22 LEU A 20 3.946 -16.763 -3.466 1.00 44.40 H new ATOM 0 HD23 LEU A 20 3.382 -18.393 -3.905 1.00 44.40 H new ATOM 365 N PRO A 21 0.274 -15.983 -6.561 1.00 75.22 N ATOM 366 CA PRO A 21 -0.751 -15.324 -7.376 1.00 71.04 C ATOM 367 C PRO A 21 -0.151 -14.538 -8.537 1.00 73.45 C ATOM 368 O PRO A 21 1.040 -14.650 -8.826 1.00 44.33 O ATOM 369 CB PRO A 21 -1.436 -14.377 -6.388 1.00 32.44 C ATOM 370 CG PRO A 21 -0.407 -14.109 -5.345 1.00 4.21 C ATOM 371 CD PRO A 21 0.404 -15.370 -5.229 1.00 0.12 C ATOM 0 HA PRO A 21 -1.428 -16.043 -7.838 1.00 71.04 H new ATOM 0 HB2 PRO A 21 -1.753 -13.456 -6.877 1.00 32.44 H new ATOM 0 HB3 PRO A 21 -2.328 -14.832 -5.957 1.00 32.44 H new ATOM 0 HG2 PRO A 21 0.223 -13.265 -5.626 1.00 4.21 H new ATOM 0 HG3 PRO A 21 -0.873 -13.856 -4.393 1.00 4.21 H new ATOM 0 HD2 PRO A 21 1.445 -15.157 -4.984 1.00 0.12 H new ATOM 0 HD3 PRO A 21 0.020 -16.024 -4.446 1.00 0.12 H new ATOM 379 N LYS A 22 -0.984 -13.743 -9.201 1.00 31.34 N ATOM 380 CA LYS A 22 -0.536 -12.937 -10.330 1.00 14.21 C ATOM 381 C LYS A 22 -0.172 -11.526 -9.880 1.00 41.30 C ATOM 382 O LYS A 22 0.765 -10.921 -10.401 1.00 42.40 O ATOM 383 CB LYS A 22 -1.626 -12.876 -11.403 1.00 65.12 C ATOM 384 CG LYS A 22 -2.848 -12.079 -10.984 1.00 54.54 C ATOM 385 CD LYS A 22 -4.126 -12.680 -11.547 1.00 3.25 C ATOM 386 CE LYS A 22 -4.419 -14.040 -10.932 1.00 12.33 C ATOM 387 NZ LYS A 22 -5.442 -13.951 -9.853 1.00 23.53 N ATOM 0 H LYS A 22 -1.974 -13.640 -8.976 1.00 31.34 H new ATOM 0 HA LYS A 22 0.354 -13.407 -10.750 1.00 14.21 H new ATOM 0 HB2 LYS A 22 -1.208 -12.436 -12.308 1.00 65.12 H new ATOM 0 HB3 LYS A 22 -1.933 -13.891 -11.655 1.00 65.12 H new ATOM 0 HG2 LYS A 22 -2.908 -12.048 -9.896 1.00 54.54 H new ATOM 0 HG3 LYS A 22 -2.747 -11.049 -11.327 1.00 54.54 H new ATOM 0 HD2 LYS A 22 -4.961 -12.006 -11.357 1.00 3.25 H new ATOM 0 HD3 LYS A 22 -4.037 -12.780 -12.629 1.00 3.25 H new ATOM 0 HE2 LYS A 22 -4.767 -14.722 -11.708 1.00 12.33 H new ATOM 0 HE3 LYS A 22 -3.499 -14.461 -10.527 1.00 12.33 H new ATOM 0 HZ1 LYS A 22 -5.614 -14.898 -9.459 1.00 23.53 H new ATOM 0 HZ2 LYS A 22 -5.099 -13.320 -9.101 1.00 23.53 H new ATOM 0 HZ3 LYS A 22 -6.328 -13.573 -10.245 1.00 23.53 H new ATOM 401 N ASP A 23 -0.917 -11.008 -8.910 1.00 21.14 N ATOM 402 CA ASP A 23 -0.670 -9.669 -8.388 1.00 12.11 C ATOM 403 C ASP A 23 0.405 -9.697 -7.306 1.00 12.31 C ATOM 404 O ASP A 23 0.213 -9.166 -6.212 1.00 1.03 O ATOM 405 CB ASP A 23 -1.961 -9.071 -7.826 1.00 73.42 C ATOM 406 CG ASP A 23 -3.167 -9.383 -8.691 1.00 13.24 C ATOM 407 OD1 ASP A 23 -3.327 -8.731 -9.744 1.00 0.21 O ATOM 408 OD2 ASP A 23 -3.951 -10.279 -8.314 1.00 61.02 O ATOM 0 H ASP A 23 -1.697 -11.495 -8.469 1.00 21.14 H new ATOM 0 HA ASP A 23 -0.317 -9.045 -9.209 1.00 12.11 H new ATOM 0 HB2 ASP A 23 -2.129 -9.456 -6.820 1.00 73.42 H new ATOM 0 HB3 ASP A 23 -1.850 -7.990 -7.739 1.00 73.42 H new ATOM 413 N VAL A 24 1.536 -10.320 -7.619 1.00 23.32 N ATOM 414 CA VAL A 24 2.642 -10.418 -6.674 1.00 2.43 C ATOM 415 C VAL A 24 3.986 -10.315 -7.387 1.00 75.02 C ATOM 416 O VAL A 24 4.196 -10.937 -8.428 1.00 61.34 O ATOM 417 CB VAL A 24 2.592 -11.740 -5.885 1.00 52.31 C ATOM 418 CG1 VAL A 24 2.866 -12.920 -6.804 1.00 32.50 C ATOM 419 CG2 VAL A 24 3.583 -11.710 -4.732 1.00 3.23 C ATOM 0 H VAL A 24 1.711 -10.765 -8.520 1.00 23.32 H new ATOM 0 HA VAL A 24 2.538 -9.585 -5.979 1.00 2.43 H new ATOM 0 HB VAL A 24 1.591 -11.858 -5.470 1.00 52.31 H new ATOM 0 HG11 VAL A 24 2.827 -13.845 -6.229 1.00 32.50 H new ATOM 0 HG12 VAL A 24 2.114 -12.950 -7.592 1.00 32.50 H new ATOM 0 HG13 VAL A 24 3.855 -12.812 -7.250 1.00 32.50 H new ATOM 0 HG21 VAL A 24 3.534 -12.652 -4.186 1.00 3.23 H new ATOM 0 HG22 VAL A 24 4.591 -11.569 -5.122 1.00 3.23 H new ATOM 0 HG23 VAL A 24 3.335 -10.888 -4.061 1.00 3.23 H new ATOM 429 N ASP A 25 4.892 -9.526 -6.820 1.00 34.40 N ATOM 430 CA ASP A 25 6.217 -9.343 -7.401 1.00 14.02 C ATOM 431 C ASP A 25 7.244 -10.228 -6.702 1.00 13.15 C ATOM 432 O ASP A 25 7.220 -10.376 -5.480 1.00 23.44 O ATOM 433 CB ASP A 25 6.640 -7.876 -7.306 1.00 71.30 C ATOM 434 CG ASP A 25 6.259 -7.083 -8.540 1.00 55.32 C ATOM 435 OD1 ASP A 25 6.343 -7.641 -9.654 1.00 32.43 O ATOM 436 OD2 ASP A 25 5.877 -5.903 -8.393 1.00 14.33 O ATOM 0 H ASP A 25 4.733 -9.003 -5.959 1.00 34.40 H new ATOM 0 HA ASP A 25 6.170 -9.632 -8.451 1.00 14.02 H new ATOM 0 HB2 ASP A 25 6.177 -7.423 -6.429 1.00 71.30 H new ATOM 0 HB3 ASP A 25 7.719 -7.821 -7.161 1.00 71.30 H new ATOM 441 N ARG A 26 8.143 -10.814 -7.485 1.00 23.12 N ATOM 442 CA ARG A 26 9.177 -11.686 -6.941 1.00 22.31 C ATOM 443 C ARG A 26 10.432 -10.891 -6.593 1.00 12.44 C ATOM 444 O ARG A 26 11.135 -11.207 -5.633 1.00 22.53 O ATOM 445 CB ARG A 26 9.522 -12.790 -7.943 1.00 0.05 C ATOM 446 CG ARG A 26 8.303 -13.432 -8.585 1.00 43.43 C ATOM 447 CD ARG A 26 7.487 -14.217 -7.571 1.00 12.23 C ATOM 448 NE ARG A 26 6.931 -15.440 -8.144 1.00 4.13 N ATOM 449 CZ ARG A 26 7.662 -16.508 -8.444 1.00 74.13 C ATOM 450 NH1 ARG A 26 8.970 -16.504 -8.227 1.00 15.30 N ATOM 451 NH2 ARG A 26 7.083 -17.584 -8.963 1.00 45.10 N ATOM 0 H ARG A 26 8.176 -10.701 -8.498 1.00 23.12 H new ATOM 0 HA ARG A 26 8.791 -12.140 -6.028 1.00 22.31 H new ATOM 0 HB2 ARG A 26 10.157 -12.374 -8.725 1.00 0.05 H new ATOM 0 HB3 ARG A 26 10.103 -13.560 -7.436 1.00 0.05 H new ATOM 0 HG2 ARG A 26 7.679 -12.660 -9.036 1.00 43.43 H new ATOM 0 HG3 ARG A 26 8.621 -14.095 -9.389 1.00 43.43 H new ATOM 0 HD2 ARG A 26 8.116 -14.470 -6.718 1.00 12.23 H new ATOM 0 HD3 ARG A 26 6.677 -13.592 -7.196 1.00 12.23 H new ATOM 0 HE ARG A 26 5.928 -15.476 -8.323 1.00 4.13 H new ATOM 0 HH11 ARG A 26 9.418 -15.679 -7.828 1.00 15.30 H new ATOM 0 HH12 ARG A 26 9.528 -17.326 -8.459 1.00 15.30 H new ATOM 0 HH21 ARG A 26 6.077 -17.591 -9.131 1.00 45.10 H new ATOM 0 HH22 ARG A 26 7.644 -18.404 -9.193 1.00 45.10 H new ATOM 465 N THR A 27 10.707 -9.855 -7.380 1.00 23.13 N ATOM 466 CA THR A 27 11.877 -9.015 -7.156 1.00 61.22 C ATOM 467 C THR A 27 11.930 -8.518 -5.716 1.00 60.11 C ATOM 468 O THR A 27 12.940 -8.680 -5.030 1.00 53.45 O ATOM 469 CB THR A 27 11.888 -7.803 -8.106 1.00 42.05 C ATOM 470 OG1 THR A 27 11.379 -8.182 -9.390 1.00 12.00 O ATOM 471 CG2 THR A 27 13.296 -7.247 -8.258 1.00 40.00 C ATOM 0 H THR A 27 10.135 -9.578 -8.178 1.00 23.13 H new ATOM 0 HA THR A 27 12.752 -9.633 -7.356 1.00 61.22 H new ATOM 0 HB THR A 27 11.252 -7.028 -7.677 1.00 42.05 H new ATOM 0 HG1 THR A 27 10.411 -8.033 -9.415 1.00 12.00 H new ATOM 0 HG21 THR A 27 13.278 -6.392 -8.934 1.00 40.00 H new ATOM 0 HG22 THR A 27 13.670 -6.932 -7.284 1.00 40.00 H new ATOM 0 HG23 THR A 27 13.950 -8.018 -8.666 1.00 40.00 H new ATOM 479 N ARG A 28 10.837 -7.913 -5.263 1.00 74.42 N ATOM 480 CA ARG A 28 10.759 -7.392 -3.904 1.00 23.22 C ATOM 481 C ARG A 28 9.546 -7.959 -3.172 1.00 51.14 C ATOM 482 O ARG A 28 8.602 -7.233 -2.858 1.00 52.24 O ATOM 483 CB ARG A 28 10.688 -5.864 -3.924 1.00 22.20 C ATOM 484 CG ARG A 28 11.871 -5.209 -4.618 1.00 53.43 C ATOM 485 CD ARG A 28 12.870 -4.656 -3.614 1.00 51.31 C ATOM 486 NE ARG A 28 13.463 -3.400 -4.067 1.00 24.51 N ATOM 487 CZ ARG A 28 14.084 -2.547 -3.259 1.00 73.54 C ATOM 488 NH1 ARG A 28 14.192 -2.814 -1.965 1.00 54.30 N ATOM 489 NH2 ARG A 28 14.598 -1.426 -3.746 1.00 43.54 N ATOM 0 H ARG A 28 9.993 -7.772 -5.818 1.00 74.42 H new ATOM 0 HA ARG A 28 11.659 -7.700 -3.372 1.00 23.22 H new ATOM 0 HB2 ARG A 28 9.769 -5.558 -4.424 1.00 22.20 H new ATOM 0 HB3 ARG A 28 10.630 -5.498 -2.899 1.00 22.20 H new ATOM 0 HG2 ARG A 28 12.365 -5.937 -5.261 1.00 53.43 H new ATOM 0 HG3 ARG A 28 11.516 -4.404 -5.261 1.00 53.43 H new ATOM 0 HD2 ARG A 28 12.372 -4.498 -2.657 1.00 51.31 H new ATOM 0 HD3 ARG A 28 13.659 -5.389 -3.446 1.00 51.31 H new ATOM 0 HE ARG A 28 13.397 -3.165 -5.057 1.00 24.51 H new ATOM 0 HH11 ARG A 28 13.798 -3.676 -1.587 1.00 54.30 H new ATOM 0 HH12 ARG A 28 14.669 -2.158 -1.347 1.00 54.30 H new ATOM 0 HH21 ARG A 28 14.517 -1.218 -4.741 1.00 43.54 H new ATOM 0 HH22 ARG A 28 15.075 -0.772 -3.125 1.00 43.54 H new ATOM 503 N LEU A 29 9.578 -9.260 -2.905 1.00 15.33 N ATOM 504 CA LEU A 29 8.480 -9.925 -2.211 1.00 3.25 C ATOM 505 C LEU A 29 8.442 -9.521 -0.740 1.00 55.32 C ATOM 506 O LEU A 29 7.456 -9.767 -0.045 1.00 43.13 O ATOM 507 CB LEU A 29 8.621 -11.443 -2.330 1.00 72.34 C ATOM 508 CG LEU A 29 7.341 -12.254 -2.125 1.00 33.10 C ATOM 509 CD1 LEU A 29 6.498 -12.250 -3.391 1.00 35.34 C ATOM 510 CD2 LEU A 29 7.673 -13.679 -1.708 1.00 23.23 C ATOM 0 H LEU A 29 10.351 -9.875 -3.158 1.00 15.33 H new ATOM 0 HA LEU A 29 7.546 -9.615 -2.679 1.00 3.25 H new ATOM 0 HB2 LEU A 29 9.020 -11.674 -3.318 1.00 72.34 H new ATOM 0 HB3 LEU A 29 9.360 -11.777 -1.602 1.00 72.34 H new ATOM 0 HG LEU A 29 6.763 -11.789 -1.327 1.00 33.10 H new ATOM 0 HD11 LEU A 29 5.591 -12.832 -3.226 1.00 35.34 H new ATOM 0 HD12 LEU A 29 6.230 -11.225 -3.646 1.00 35.34 H new ATOM 0 HD13 LEU A 29 7.068 -12.690 -4.209 1.00 35.34 H new ATOM 0 HD21 LEU A 29 6.750 -14.241 -1.567 1.00 23.23 H new ATOM 0 HD22 LEU A 29 8.272 -14.155 -2.484 1.00 23.23 H new ATOM 0 HD23 LEU A 29 8.235 -13.663 -0.774 1.00 23.23 H new ATOM 522 N GLU A 30 9.519 -8.897 -0.274 1.00 64.44 N ATOM 523 CA GLU A 30 9.607 -8.458 1.113 1.00 31.13 C ATOM 524 C GLU A 30 8.477 -7.489 1.449 1.00 3.33 C ATOM 525 O GLU A 30 7.895 -7.549 2.533 1.00 45.44 O ATOM 526 CB GLU A 30 10.960 -7.793 1.377 1.00 74.24 C ATOM 527 CG GLU A 30 11.100 -6.423 0.734 1.00 32.33 C ATOM 528 CD GLU A 30 12.547 -6.003 0.566 1.00 0.05 C ATOM 529 OE1 GLU A 30 13.391 -6.448 1.373 1.00 73.24 O ATOM 530 OE2 GLU A 30 12.836 -5.229 -0.370 1.00 30.30 O ATOM 0 H GLU A 30 10.343 -8.684 -0.837 1.00 64.44 H new ATOM 0 HA GLU A 30 9.512 -9.336 1.752 1.00 31.13 H new ATOM 0 HB2 GLU A 30 11.104 -7.697 2.453 1.00 74.24 H new ATOM 0 HB3 GLU A 30 11.753 -8.442 1.006 1.00 74.24 H new ATOM 0 HG2 GLU A 30 10.613 -6.432 -0.241 1.00 32.33 H new ATOM 0 HG3 GLU A 30 10.580 -5.685 1.344 1.00 32.33 H new ATOM 537 N ARG A 31 8.173 -6.596 0.513 1.00 64.02 N ATOM 538 CA ARG A 31 7.115 -5.612 0.710 1.00 64.55 C ATOM 539 C ARG A 31 5.746 -6.284 0.731 1.00 34.54 C ATOM 540 O ARG A 31 4.751 -5.677 1.128 1.00 34.14 O ATOM 541 CB ARG A 31 7.160 -4.556 -0.396 1.00 74.33 C ATOM 542 CG ARG A 31 8.297 -3.560 -0.242 1.00 12.24 C ATOM 543 CD ARG A 31 8.343 -2.582 -1.405 1.00 53.13 C ATOM 544 NE ARG A 31 7.536 -1.391 -1.152 1.00 21.22 N ATOM 545 CZ ARG A 31 7.664 -0.258 -1.833 1.00 2.01 C ATOM 546 NH1 ARG A 31 8.562 -0.162 -2.804 1.00 73.32 N ATOM 547 NH2 ARG A 31 6.893 0.782 -1.543 1.00 42.44 N ATOM 0 H ARG A 31 8.644 -6.534 -0.389 1.00 64.02 H new ATOM 0 HA ARG A 31 7.278 -5.127 1.673 1.00 64.55 H new ATOM 0 HB2 ARG A 31 7.254 -5.056 -1.360 1.00 74.33 H new ATOM 0 HB3 ARG A 31 6.214 -4.015 -0.409 1.00 74.33 H new ATOM 0 HG2 ARG A 31 8.177 -3.011 0.692 1.00 12.24 H new ATOM 0 HG3 ARG A 31 9.244 -4.095 -0.178 1.00 12.24 H new ATOM 0 HD2 ARG A 31 9.376 -2.287 -1.590 1.00 53.13 H new ATOM 0 HD3 ARG A 31 7.986 -3.076 -2.308 1.00 53.13 H new ATOM 0 HE ARG A 31 6.836 -1.432 -0.412 1.00 21.22 H new ATOM 0 HH11 ARG A 31 9.157 -0.960 -3.029 1.00 73.32 H new ATOM 0 HH12 ARG A 31 8.658 0.709 -3.325 1.00 73.32 H new ATOM 0 HH21 ARG A 31 6.201 0.712 -0.797 1.00 42.44 H new ATOM 0 HH22 ARG A 31 6.992 1.652 -2.066 1.00 42.44 H new ATOM 561 N HIS A 32 5.702 -7.542 0.301 1.00 11.45 N ATOM 562 CA HIS A 32 4.454 -8.296 0.272 1.00 61.43 C ATOM 563 C HIS A 32 4.269 -9.091 1.561 1.00 61.22 C ATOM 564 O HIS A 32 3.224 -9.706 1.779 1.00 62.01 O ATOM 565 CB HIS A 32 4.433 -9.241 -0.931 1.00 3.43 C ATOM 566 CG HIS A 32 3.935 -8.598 -2.188 1.00 53.13 C ATOM 567 ND1 HIS A 32 2.596 -8.406 -2.456 1.00 13.13 N ATOM 568 CD2 HIS A 32 4.605 -8.100 -3.254 1.00 73.40 C ATOM 569 CE1 HIS A 32 2.463 -7.820 -3.632 1.00 45.31 C ATOM 570 NE2 HIS A 32 3.668 -7.623 -4.137 1.00 51.13 N ATOM 0 H HIS A 32 6.516 -8.060 -0.032 1.00 11.45 H new ATOM 0 HA HIS A 32 3.631 -7.586 0.182 1.00 61.43 H new ATOM 0 HB2 HIS A 32 5.440 -9.621 -1.101 1.00 3.43 H new ATOM 0 HB3 HIS A 32 3.803 -10.099 -0.697 1.00 3.43 H new ATOM 0 HD1 HIS A 32 1.828 -8.675 -1.841 1.00 13.13 H new ATOM 0 HD2 HIS A 32 5.677 -8.081 -3.385 1.00 73.40 H new ATOM 0 HE1 HIS A 32 1.529 -7.548 -4.101 1.00 45.31 H new ATOM 578 N LEU A 33 5.289 -9.075 2.411 1.00 23.24 N ATOM 579 CA LEU A 33 5.240 -9.795 3.679 1.00 33.23 C ATOM 580 C LEU A 33 5.224 -8.825 4.856 1.00 12.12 C ATOM 581 O LEU A 33 6.062 -7.928 4.946 1.00 64.23 O ATOM 582 CB LEU A 33 6.437 -10.740 3.799 1.00 74.21 C ATOM 583 CG LEU A 33 6.174 -12.070 4.507 1.00 11.43 C ATOM 584 CD1 LEU A 33 5.512 -13.058 3.559 1.00 4.05 C ATOM 585 CD2 LEU A 33 7.470 -12.644 5.061 1.00 72.23 C ATOM 0 H LEU A 33 6.160 -8.571 2.246 1.00 23.24 H new ATOM 0 HA LEU A 33 4.320 -10.379 3.701 1.00 33.23 H new ATOM 0 HB2 LEU A 33 6.809 -10.952 2.797 1.00 74.21 H new ATOM 0 HB3 LEU A 33 7.233 -10.220 4.331 1.00 74.21 H new ATOM 0 HG LEU A 33 5.495 -11.889 5.340 1.00 11.43 H new ATOM 0 HD11 LEU A 33 5.333 -13.998 4.080 1.00 4.05 H new ATOM 0 HD12 LEU A 33 4.563 -12.649 3.212 1.00 4.05 H new ATOM 0 HD13 LEU A 33 6.165 -13.236 2.705 1.00 4.05 H new ATOM 0 HD21 LEU A 33 7.264 -13.590 5.561 1.00 72.23 H new ATOM 0 HD22 LEU A 33 8.173 -12.811 4.244 1.00 72.23 H new ATOM 0 HD23 LEU A 33 7.903 -11.943 5.775 1.00 72.23 H new ATOM 597 N SER A 34 4.265 -9.012 5.758 1.00 64.11 N ATOM 598 CA SER A 34 4.139 -8.152 6.929 1.00 23.50 C ATOM 599 C SER A 34 5.477 -8.015 7.649 1.00 64.41 C ATOM 600 O SER A 34 6.403 -8.802 7.447 1.00 2.45 O ATOM 601 CB SER A 34 3.086 -8.712 7.888 1.00 65.13 C ATOM 602 OG SER A 34 3.693 -9.434 8.946 1.00 54.02 O ATOM 0 H SER A 34 3.564 -9.751 5.700 1.00 64.11 H new ATOM 0 HA SER A 34 3.825 -7.164 6.592 1.00 23.50 H new ATOM 0 HB2 SER A 34 2.490 -7.896 8.296 1.00 65.13 H new ATOM 0 HB3 SER A 34 2.403 -9.364 7.343 1.00 65.13 H new ATOM 0 HG SER A 34 3.000 -9.780 9.546 1.00 54.02 H new ATOM 608 N PRO A 35 5.583 -6.992 8.510 1.00 62.14 N ATOM 609 CA PRO A 35 6.803 -6.727 9.278 1.00 40.20 C ATOM 610 C PRO A 35 7.054 -7.782 10.350 1.00 61.13 C ATOM 611 O PRO A 35 8.179 -8.250 10.521 1.00 62.15 O ATOM 612 CB PRO A 35 6.528 -5.366 9.922 1.00 53.31 C ATOM 613 CG PRO A 35 5.043 -5.277 10.000 1.00 34.24 C ATOM 614 CD PRO A 35 4.520 -6.016 8.799 1.00 13.44 C ATOM 0 HA PRO A 35 7.693 -6.744 8.648 1.00 40.20 H new ATOM 0 HB2 PRO A 35 6.981 -5.297 10.911 1.00 53.31 H new ATOM 0 HB3 PRO A 35 6.942 -4.554 9.324 1.00 53.31 H new ATOM 0 HG2 PRO A 35 4.673 -5.722 10.924 1.00 34.24 H new ATOM 0 HG3 PRO A 35 4.713 -4.238 9.993 1.00 34.24 H new ATOM 0 HD2 PRO A 35 3.570 -6.507 9.011 1.00 13.44 H new ATOM 0 HD3 PRO A 35 4.350 -5.345 7.957 1.00 13.44 H new ATOM 622 N GLU A 36 5.999 -8.152 11.068 1.00 34.13 N ATOM 623 CA GLU A 36 6.107 -9.152 12.124 1.00 75.43 C ATOM 624 C GLU A 36 6.490 -10.512 11.547 1.00 24.23 C ATOM 625 O GLU A 36 7.216 -11.282 12.177 1.00 52.54 O ATOM 626 CB GLU A 36 4.786 -9.265 12.888 1.00 54.53 C ATOM 627 CG GLU A 36 4.631 -8.231 13.991 1.00 53.14 C ATOM 628 CD GLU A 36 5.785 -8.250 14.974 1.00 15.03 C ATOM 629 OE1 GLU A 36 5.930 -9.256 15.699 1.00 23.12 O ATOM 630 OE2 GLU A 36 6.542 -7.258 15.018 1.00 0.15 O ATOM 0 H GLU A 36 5.060 -7.775 10.938 1.00 34.13 H new ATOM 0 HA GLU A 36 6.890 -8.833 12.812 1.00 75.43 H new ATOM 0 HB2 GLU A 36 3.959 -9.161 12.185 1.00 54.53 H new ATOM 0 HB3 GLU A 36 4.711 -10.262 13.323 1.00 54.53 H new ATOM 0 HG2 GLU A 36 4.554 -7.239 13.546 1.00 53.14 H new ATOM 0 HG3 GLU A 36 3.699 -8.413 14.527 1.00 53.14 H new ATOM 637 N GLU A 37 5.997 -10.800 10.347 1.00 62.21 N ATOM 638 CA GLU A 37 6.287 -12.067 9.686 1.00 24.45 C ATOM 639 C GLU A 37 7.724 -12.097 9.172 1.00 12.43 C ATOM 640 O GLU A 37 8.410 -13.114 9.272 1.00 42.20 O ATOM 641 CB GLU A 37 5.315 -12.299 8.528 1.00 14.13 C ATOM 642 CG GLU A 37 4.244 -13.333 8.830 1.00 35.45 C ATOM 643 CD GLU A 37 3.472 -13.021 10.098 1.00 53.13 C ATOM 644 OE1 GLU A 37 3.922 -13.440 11.185 1.00 62.15 O ATOM 645 OE2 GLU A 37 2.418 -12.358 10.003 1.00 11.10 O ATOM 0 H GLU A 37 5.395 -10.173 9.813 1.00 62.21 H new ATOM 0 HA GLU A 37 6.165 -12.865 10.419 1.00 24.45 H new ATOM 0 HB2 GLU A 37 4.834 -11.354 8.273 1.00 14.13 H new ATOM 0 HB3 GLU A 37 5.878 -12.617 7.650 1.00 14.13 H new ATOM 0 HG2 GLU A 37 3.550 -13.388 7.991 1.00 35.45 H new ATOM 0 HG3 GLU A 37 4.708 -14.315 8.924 1.00 35.45 H new ATOM 652 N PHE A 38 8.172 -10.973 8.621 1.00 34.24 N ATOM 653 CA PHE A 38 9.526 -10.869 8.090 1.00 75.34 C ATOM 654 C PHE A 38 10.560 -11.080 9.191 1.00 2.02 C ATOM 655 O PHE A 38 11.553 -11.782 8.998 1.00 14.40 O ATOM 656 CB PHE A 38 9.735 -9.504 7.432 1.00 14.53 C ATOM 657 CG PHE A 38 10.527 -9.567 6.158 1.00 52.33 C ATOM 658 CD1 PHE A 38 9.994 -10.160 5.024 1.00 25.35 C ATOM 659 CD2 PHE A 38 11.803 -9.032 6.093 1.00 43.04 C ATOM 660 CE1 PHE A 38 10.722 -10.220 3.851 1.00 73.33 C ATOM 661 CE2 PHE A 38 12.535 -9.089 4.921 1.00 1.34 C ATOM 662 CZ PHE A 38 11.993 -9.683 3.799 1.00 50.23 C ATOM 0 H PHE A 38 7.617 -10.122 8.531 1.00 34.24 H new ATOM 0 HA PHE A 38 9.656 -11.649 7.340 1.00 75.34 H new ATOM 0 HB2 PHE A 38 8.763 -9.057 7.224 1.00 14.53 H new ATOM 0 HB3 PHE A 38 10.245 -8.845 8.135 1.00 14.53 H new ATOM 0 HD1 PHE A 38 8.999 -10.579 5.058 1.00 25.35 H new ATOM 0 HD2 PHE A 38 12.231 -8.565 6.968 1.00 43.04 H new ATOM 0 HE1 PHE A 38 10.297 -10.687 2.975 1.00 73.33 H new ATOM 0 HE2 PHE A 38 13.529 -8.669 4.884 1.00 1.34 H new ATOM 0 HZ PHE A 38 12.562 -9.728 2.882 1.00 50.23 H new ATOM 672 N GLN A 39 10.320 -10.467 10.346 1.00 51.45 N ATOM 673 CA GLN A 39 11.231 -10.586 11.477 1.00 2.35 C ATOM 674 C GLN A 39 11.051 -11.926 12.183 1.00 51.22 C ATOM 675 O GLN A 39 11.959 -12.408 12.859 1.00 34.31 O ATOM 676 CB GLN A 39 11.003 -9.441 12.466 1.00 53.10 C ATOM 677 CG GLN A 39 9.621 -9.450 13.099 1.00 74.40 C ATOM 678 CD GLN A 39 9.528 -10.391 14.284 1.00 30.31 C ATOM 679 OE1 GLN A 39 10.541 -10.765 14.876 1.00 43.43 O ATOM 680 NE2 GLN A 39 8.309 -10.780 14.638 1.00 75.13 N ATOM 0 H GLN A 39 9.502 -9.883 10.522 1.00 51.45 H new ATOM 0 HA GLN A 39 12.251 -10.531 11.096 1.00 2.35 H new ATOM 0 HB2 GLN A 39 11.755 -9.497 13.253 1.00 53.10 H new ATOM 0 HB3 GLN A 39 11.151 -8.492 11.951 1.00 53.10 H new ATOM 0 HG2 GLN A 39 9.366 -8.440 13.421 1.00 74.40 H new ATOM 0 HG3 GLN A 39 8.884 -9.741 12.350 1.00 74.40 H new ATOM 0 HE21 GLN A 39 7.496 -10.446 14.120 1.00 75.13 H new ATOM 0 HE22 GLN A 39 8.185 -11.413 15.428 1.00 75.13 H new ATOM 689 N GLU A 40 9.873 -12.521 12.020 1.00 24.10 N ATOM 690 CA GLU A 40 9.575 -13.805 12.643 1.00 71.31 C ATOM 691 C GLU A 40 10.098 -14.958 11.791 1.00 73.05 C ATOM 692 O GLU A 40 10.478 -16.007 12.311 1.00 71.02 O ATOM 693 CB GLU A 40 8.067 -13.956 12.855 1.00 60.23 C ATOM 694 CG GLU A 40 7.674 -15.263 13.523 1.00 1.24 C ATOM 695 CD GLU A 40 8.139 -15.344 14.964 1.00 4.34 C ATOM 696 OE1 GLU A 40 8.480 -14.289 15.539 1.00 53.53 O ATOM 697 OE2 GLU A 40 8.163 -16.463 15.518 1.00 74.23 O ATOM 0 H GLU A 40 9.111 -12.135 11.463 1.00 24.10 H new ATOM 0 HA GLU A 40 10.076 -13.835 13.611 1.00 71.31 H new ATOM 0 HB2 GLU A 40 7.709 -13.125 13.463 1.00 60.23 H new ATOM 0 HB3 GLU A 40 7.564 -13.885 11.891 1.00 60.23 H new ATOM 0 HG2 GLU A 40 6.590 -15.373 13.488 1.00 1.24 H new ATOM 0 HG3 GLU A 40 8.097 -16.096 12.961 1.00 1.24 H new ATOM 704 N VAL A 41 10.113 -14.755 10.477 1.00 61.41 N ATOM 705 CA VAL A 41 10.589 -15.776 9.551 1.00 23.43 C ATOM 706 C VAL A 41 12.099 -15.682 9.358 1.00 55.22 C ATOM 707 O VAL A 41 12.749 -16.657 8.981 1.00 3.21 O ATOM 708 CB VAL A 41 9.898 -15.657 8.180 1.00 44.11 C ATOM 709 CG1 VAL A 41 8.392 -15.812 8.325 1.00 23.52 C ATOM 710 CG2 VAL A 41 10.245 -14.329 7.523 1.00 33.03 C ATOM 0 H VAL A 41 9.801 -13.893 10.030 1.00 61.41 H new ATOM 0 HA VAL A 41 10.342 -16.742 9.991 1.00 23.43 H new ATOM 0 HB VAL A 41 10.261 -16.460 7.539 1.00 44.11 H new ATOM 0 HG11 VAL A 41 7.921 -15.725 7.346 1.00 23.52 H new ATOM 0 HG12 VAL A 41 8.166 -16.790 8.751 1.00 23.52 H new ATOM 0 HG13 VAL A 41 8.008 -15.033 8.983 1.00 23.52 H new ATOM 0 HG21 VAL A 41 9.748 -14.261 6.555 1.00 33.03 H new ATOM 0 HG22 VAL A 41 9.912 -13.510 8.160 1.00 33.03 H new ATOM 0 HG23 VAL A 41 11.324 -14.263 7.383 1.00 33.03 H new ATOM 720 N PHE A 42 12.650 -14.501 9.618 1.00 21.35 N ATOM 721 CA PHE A 42 14.084 -14.278 9.473 1.00 71.44 C ATOM 722 C PHE A 42 14.818 -14.589 10.774 1.00 73.11 C ATOM 723 O PHE A 42 15.848 -15.261 10.773 1.00 4.20 O ATOM 724 CB PHE A 42 14.357 -12.833 9.053 1.00 54.52 C ATOM 725 CG PHE A 42 14.216 -12.601 7.576 1.00 52.45 C ATOM 726 CD1 PHE A 42 13.281 -13.307 6.836 1.00 60.10 C ATOM 727 CD2 PHE A 42 15.018 -11.676 6.926 1.00 14.45 C ATOM 728 CE1 PHE A 42 13.150 -13.096 5.476 1.00 20.04 C ATOM 729 CE2 PHE A 42 14.891 -11.460 5.567 1.00 12.01 C ATOM 730 CZ PHE A 42 13.955 -12.171 4.841 1.00 10.54 C ATOM 0 H PHE A 42 12.125 -13.684 9.930 1.00 21.35 H new ATOM 0 HA PHE A 42 14.454 -14.950 8.699 1.00 71.44 H new ATOM 0 HB2 PHE A 42 13.671 -12.173 9.583 1.00 54.52 H new ATOM 0 HB3 PHE A 42 15.366 -12.558 9.361 1.00 54.52 H new ATOM 0 HD1 PHE A 42 12.647 -14.030 7.327 1.00 60.10 H new ATOM 0 HD2 PHE A 42 15.751 -11.117 7.489 1.00 14.45 H new ATOM 0 HE1 PHE A 42 12.419 -13.654 4.911 1.00 20.04 H new ATOM 0 HE2 PHE A 42 15.523 -10.736 5.073 1.00 12.01 H new ATOM 0 HZ PHE A 42 13.853 -12.004 3.779 1.00 10.54 H new ATOM 740 N GLY A 43 14.278 -14.094 11.884 1.00 40.13 N ATOM 741 CA GLY A 43 14.894 -14.328 13.177 1.00 42.14 C ATOM 742 C GLY A 43 15.244 -13.039 13.894 1.00 63.33 C ATOM 743 O GLY A 43 15.057 -12.924 15.105 1.00 74.45 O ATOM 0 H GLY A 43 13.425 -13.535 11.911 1.00 40.13 H new ATOM 0 HA2 GLY A 43 14.216 -14.913 13.798 1.00 42.14 H new ATOM 0 HA3 GLY A 43 15.798 -14.923 13.043 1.00 42.14 H new ATOM 747 N MET A 44 15.756 -12.068 13.145 1.00 3.33 N ATOM 748 CA MET A 44 16.134 -10.781 13.718 1.00 41.20 C ATOM 749 C MET A 44 14.913 -9.883 13.890 1.00 0.05 C ATOM 750 O MET A 44 13.777 -10.324 13.715 1.00 42.43 O ATOM 751 CB MET A 44 17.170 -10.088 12.831 1.00 51.15 C ATOM 752 CG MET A 44 16.792 -10.066 11.358 1.00 15.05 C ATOM 753 SD MET A 44 17.639 -11.340 10.404 1.00 3.44 S ATOM 754 CE MET A 44 18.487 -10.340 9.183 1.00 34.12 C ATOM 0 H MET A 44 15.919 -12.147 12.141 1.00 3.33 H new ATOM 0 HA MET A 44 16.571 -10.963 14.700 1.00 41.20 H new ATOM 0 HB2 MET A 44 17.306 -9.064 13.178 1.00 51.15 H new ATOM 0 HB3 MET A 44 18.129 -10.593 12.944 1.00 51.15 H new ATOM 0 HG2 MET A 44 15.715 -10.201 11.261 1.00 15.05 H new ATOM 0 HG3 MET A 44 17.029 -9.087 10.941 1.00 15.05 H new ATOM 0 HE1 MET A 44 19.466 -10.771 8.976 1.00 34.12 H new ATOM 0 HE2 MET A 44 17.901 -10.313 8.264 1.00 34.12 H new ATOM 0 HE3 MET A 44 18.610 -9.327 9.565 1.00 34.12 H new ATOM 764 N SER A 45 15.155 -8.622 14.236 1.00 71.42 N ATOM 765 CA SER A 45 14.074 -7.664 14.436 1.00 3.01 C ATOM 766 C SER A 45 13.784 -6.896 13.150 1.00 3.32 C ATOM 767 O SER A 45 14.678 -6.671 12.334 1.00 43.12 O ATOM 768 CB SER A 45 14.432 -6.687 15.558 1.00 42.14 C ATOM 769 OG SER A 45 14.708 -5.396 15.041 1.00 22.50 O ATOM 0 H SER A 45 16.089 -8.241 14.383 1.00 71.42 H new ATOM 0 HA SER A 45 13.178 -8.217 14.718 1.00 3.01 H new ATOM 0 HB2 SER A 45 13.609 -6.629 16.270 1.00 42.14 H new ATOM 0 HB3 SER A 45 15.300 -7.057 16.104 1.00 42.14 H new ATOM 0 HG SER A 45 14.932 -4.790 15.778 1.00 22.50 H new ATOM 775 N ILE A 46 12.529 -6.496 12.978 1.00 71.13 N ATOM 776 CA ILE A 46 12.121 -5.752 11.792 1.00 34.45 C ATOM 777 C ILE A 46 12.978 -4.506 11.603 1.00 4.00 C ATOM 778 O ILE A 46 13.215 -4.069 10.477 1.00 31.23 O ATOM 779 CB ILE A 46 10.640 -5.336 11.872 1.00 40.23 C ATOM 780 CG1 ILE A 46 10.087 -5.070 10.470 1.00 34.41 C ATOM 781 CG2 ILE A 46 10.483 -4.104 12.751 1.00 34.31 C ATOM 782 CD1 ILE A 46 10.248 -3.636 10.018 1.00 0.13 C ATOM 0 H ILE A 46 11.777 -6.674 13.644 1.00 71.13 H new ATOM 0 HA ILE A 46 12.258 -6.417 10.939 1.00 34.45 H new ATOM 0 HB ILE A 46 10.072 -6.152 12.318 1.00 40.23 H new ATOM 0 HG12 ILE A 46 10.591 -5.725 9.759 1.00 34.41 H new ATOM 0 HG13 ILE A 46 9.029 -5.332 10.450 1.00 34.41 H new ATOM 0 HG21 ILE A 46 9.431 -3.822 12.798 1.00 34.31 H new ATOM 0 HG22 ILE A 46 10.845 -4.325 13.755 1.00 34.31 H new ATOM 0 HG23 ILE A 46 11.061 -3.281 12.330 1.00 34.31 H new ATOM 0 HD11 ILE A 46 9.834 -3.522 9.016 1.00 0.13 H new ATOM 0 HD12 ILE A 46 9.720 -2.976 10.706 1.00 0.13 H new ATOM 0 HD13 ILE A 46 11.306 -3.375 10.005 1.00 0.13 H new ATOM 794 N GLU A 47 13.443 -3.939 12.712 1.00 33.44 N ATOM 795 CA GLU A 47 14.276 -2.743 12.668 1.00 74.44 C ATOM 796 C GLU A 47 15.598 -3.027 11.960 1.00 35.21 C ATOM 797 O GLU A 47 16.107 -2.189 11.217 1.00 24.31 O ATOM 798 CB GLU A 47 14.543 -2.228 14.083 1.00 14.52 C ATOM 799 CG GLU A 47 13.305 -2.198 14.964 1.00 72.50 C ATOM 800 CD GLU A 47 13.465 -1.288 16.166 1.00 64.10 C ATOM 801 OE1 GLU A 47 13.362 -0.055 15.994 1.00 61.43 O ATOM 802 OE2 GLU A 47 13.694 -1.808 17.278 1.00 4.31 O ATOM 0 H GLU A 47 13.257 -4.289 13.652 1.00 33.44 H new ATOM 0 HA GLU A 47 13.740 -1.978 12.106 1.00 74.44 H new ATOM 0 HB2 GLU A 47 15.298 -2.858 14.553 1.00 14.52 H new ATOM 0 HB3 GLU A 47 14.960 -1.223 14.022 1.00 14.52 H new ATOM 0 HG2 GLU A 47 12.451 -1.866 14.373 1.00 72.50 H new ATOM 0 HG3 GLU A 47 13.082 -3.209 15.306 1.00 72.50 H new ATOM 809 N GLU A 48 16.146 -4.214 12.198 1.00 63.41 N ATOM 810 CA GLU A 48 17.409 -4.608 11.585 1.00 44.04 C ATOM 811 C GLU A 48 17.322 -4.533 10.063 1.00 42.20 C ATOM 812 O GLU A 48 18.243 -4.055 9.400 1.00 62.30 O ATOM 813 CB GLU A 48 17.791 -6.026 12.015 1.00 10.21 C ATOM 814 CG GLU A 48 19.281 -6.310 11.921 1.00 34.33 C ATOM 815 CD GLU A 48 20.055 -5.764 13.105 1.00 35.25 C ATOM 816 OE1 GLU A 48 19.536 -4.854 13.785 1.00 44.43 O ATOM 817 OE2 GLU A 48 21.179 -6.249 13.353 1.00 51.52 O ATOM 0 H GLU A 48 15.736 -4.919 12.810 1.00 63.41 H new ATOM 0 HA GLU A 48 18.179 -3.914 11.923 1.00 44.04 H new ATOM 0 HB2 GLU A 48 17.463 -6.186 13.042 1.00 10.21 H new ATOM 0 HB3 GLU A 48 17.253 -6.742 11.394 1.00 10.21 H new ATOM 0 HG2 GLU A 48 19.438 -7.387 11.854 1.00 34.33 H new ATOM 0 HG3 GLU A 48 19.673 -5.873 11.003 1.00 34.33 H new ATOM 824 N PHE A 49 16.208 -5.008 9.516 1.00 64.31 N ATOM 825 CA PHE A 49 16.000 -4.997 8.073 1.00 63.04 C ATOM 826 C PHE A 49 16.104 -3.579 7.519 1.00 11.23 C ATOM 827 O PHE A 49 16.896 -3.310 6.616 1.00 54.33 O ATOM 828 CB PHE A 49 14.633 -5.592 7.728 1.00 25.33 C ATOM 829 CG PHE A 49 14.395 -6.941 8.345 1.00 74.03 C ATOM 830 CD1 PHE A 49 15.402 -7.892 8.375 1.00 41.22 C ATOM 831 CD2 PHE A 49 13.163 -7.258 8.894 1.00 11.15 C ATOM 832 CE1 PHE A 49 15.184 -9.134 8.941 1.00 45.24 C ATOM 833 CE2 PHE A 49 12.940 -8.498 9.462 1.00 34.21 C ATOM 834 CZ PHE A 49 13.952 -9.437 9.486 1.00 2.01 C ATOM 0 H PHE A 49 15.435 -5.405 10.050 1.00 64.31 H new ATOM 0 HA PHE A 49 16.779 -5.606 7.615 1.00 63.04 H new ATOM 0 HB2 PHE A 49 13.853 -4.907 8.059 1.00 25.33 H new ATOM 0 HB3 PHE A 49 14.545 -5.676 6.645 1.00 25.33 H new ATOM 0 HD1 PHE A 49 16.368 -7.660 7.951 1.00 41.22 H new ATOM 0 HD2 PHE A 49 12.368 -6.528 8.878 1.00 11.15 H new ATOM 0 HE1 PHE A 49 15.977 -9.867 8.957 1.00 45.24 H new ATOM 0 HE2 PHE A 49 11.975 -8.732 9.887 1.00 34.21 H new ATOM 0 HZ PHE A 49 13.780 -10.406 9.930 1.00 2.01 H new ATOM 844 N ASP A 50 15.298 -2.676 8.068 1.00 62.13 N ATOM 845 CA ASP A 50 15.298 -1.285 7.630 1.00 5.13 C ATOM 846 C ASP A 50 16.697 -0.685 7.729 1.00 44.50 C ATOM 847 O ASP A 50 17.106 0.106 6.878 1.00 73.20 O ATOM 848 CB ASP A 50 14.317 -0.464 8.469 1.00 64.20 C ATOM 849 CG ASP A 50 14.466 1.027 8.240 1.00 45.02 C ATOM 850 OD1 ASP A 50 14.674 1.430 7.077 1.00 42.25 O ATOM 851 OD2 ASP A 50 14.376 1.791 9.224 1.00 62.10 O ATOM 0 H ASP A 50 14.637 -2.883 8.817 1.00 62.13 H new ATOM 0 HA ASP A 50 14.983 -1.258 6.587 1.00 5.13 H new ATOM 0 HB2 ASP A 50 13.297 -0.765 8.229 1.00 64.20 H new ATOM 0 HB3 ASP A 50 14.474 -0.684 9.525 1.00 64.20 H new ATOM 856 N ARG A 51 17.426 -1.064 8.773 1.00 25.32 N ATOM 857 CA ARG A 51 18.779 -0.562 8.984 1.00 14.33 C ATOM 858 C ARG A 51 19.759 -1.217 8.016 1.00 4.41 C ATOM 859 O ARG A 51 20.802 -0.646 7.691 1.00 74.33 O ATOM 860 CB ARG A 51 19.221 -0.817 10.426 1.00 23.22 C ATOM 861 CG ARG A 51 18.919 0.336 11.369 1.00 23.34 C ATOM 862 CD ARG A 51 17.640 0.092 12.155 1.00 42.50 C ATOM 863 NE ARG A 51 17.523 0.989 13.302 1.00 42.12 N ATOM 864 CZ ARG A 51 18.135 0.782 14.462 1.00 22.54 C ATOM 865 NH1 ARG A 51 18.903 -0.286 14.629 1.00 64.22 N ATOM 866 NH2 ARG A 51 17.980 1.643 15.459 1.00 13.33 N ATOM 0 H ARG A 51 17.103 -1.717 9.487 1.00 25.32 H new ATOM 0 HA ARG A 51 18.775 0.512 8.797 1.00 14.33 H new ATOM 0 HB2 ARG A 51 18.727 -1.716 10.795 1.00 23.22 H new ATOM 0 HB3 ARG A 51 20.293 -1.014 10.439 1.00 23.22 H new ATOM 0 HG2 ARG A 51 19.752 0.471 12.059 1.00 23.34 H new ATOM 0 HG3 ARG A 51 18.826 1.260 10.798 1.00 23.34 H new ATOM 0 HD2 ARG A 51 16.780 0.228 11.499 1.00 42.50 H new ATOM 0 HD3 ARG A 51 17.618 -0.942 12.500 1.00 42.50 H new ATOM 0 HE ARG A 51 16.939 1.820 13.207 1.00 42.12 H new ATOM 0 HH11 ARG A 51 19.025 -0.951 13.865 1.00 64.22 H new ATOM 0 HH12 ARG A 51 19.372 -0.442 15.521 1.00 64.22 H new ATOM 0 HH21 ARG A 51 17.390 2.466 15.335 1.00 13.33 H new ATOM 0 HH22 ARG A 51 18.451 1.482 16.349 1.00 13.33 H new ATOM 880 N LEU A 52 19.419 -2.417 7.560 1.00 45.13 N ATOM 881 CA LEU A 52 20.270 -3.151 6.629 1.00 40.52 C ATOM 882 C LEU A 52 20.097 -2.628 5.206 1.00 24.11 C ATOM 883 O LEU A 52 19.237 -1.789 4.943 1.00 75.34 O ATOM 884 CB LEU A 52 19.945 -4.644 6.679 1.00 74.43 C ATOM 885 CG LEU A 52 20.521 -5.418 7.865 1.00 4.41 C ATOM 886 CD1 LEU A 52 19.904 -6.805 7.949 1.00 13.22 C ATOM 887 CD2 LEU A 52 22.036 -5.512 7.754 1.00 21.14 C ATOM 0 H LEU A 52 18.560 -2.903 7.819 1.00 45.13 H new ATOM 0 HA LEU A 52 21.308 -3.002 6.928 1.00 40.52 H new ATOM 0 HB2 LEU A 52 18.861 -4.759 6.688 1.00 74.43 H new ATOM 0 HB3 LEU A 52 20.307 -5.105 5.760 1.00 74.43 H new ATOM 0 HG LEU A 52 20.276 -4.879 8.780 1.00 4.41 H new ATOM 0 HD11 LEU A 52 20.327 -7.340 8.799 1.00 13.22 H new ATOM 0 HD12 LEU A 52 18.825 -6.716 8.076 1.00 13.22 H new ATOM 0 HD13 LEU A 52 20.117 -7.354 7.032 1.00 13.22 H new ATOM 0 HD21 LEU A 52 22.430 -6.066 8.606 1.00 21.14 H new ATOM 0 HD22 LEU A 52 22.302 -6.028 6.832 1.00 21.14 H new ATOM 0 HD23 LEU A 52 22.463 -4.509 7.745 1.00 21.14 H new ATOM 899 N ALA A 53 20.921 -3.132 4.292 1.00 13.24 N ATOM 900 CA ALA A 53 20.856 -2.719 2.896 1.00 63.21 C ATOM 901 C ALA A 53 20.031 -3.701 2.071 1.00 61.01 C ATOM 902 O ALA A 53 19.642 -4.763 2.558 1.00 35.21 O ATOM 903 CB ALA A 53 22.258 -2.590 2.319 1.00 41.33 C ATOM 0 H ALA A 53 21.640 -3.826 4.494 1.00 13.24 H new ATOM 0 HA ALA A 53 20.365 -1.747 2.852 1.00 63.21 H new ATOM 0 HB1 ALA A 53 22.195 -2.281 1.276 1.00 41.33 H new ATOM 0 HB2 ALA A 53 22.817 -1.845 2.885 1.00 41.33 H new ATOM 0 HB3 ALA A 53 22.767 -3.552 2.382 1.00 41.33 H new ATOM 909 N LEU A 54 19.767 -3.340 0.820 1.00 0.42 N ATOM 910 CA LEU A 54 18.987 -4.189 -0.073 1.00 52.01 C ATOM 911 C LEU A 54 19.655 -5.548 -0.254 1.00 43.01 C ATOM 912 O LEU A 54 19.047 -6.588 -0.002 1.00 22.21 O ATOM 913 CB LEU A 54 18.812 -3.509 -1.432 1.00 11.20 C ATOM 914 CG LEU A 54 17.487 -3.771 -2.148 1.00 54.22 C ATOM 915 CD1 LEU A 54 17.675 -3.715 -3.656 1.00 55.42 C ATOM 916 CD2 LEU A 54 16.911 -5.116 -1.730 1.00 65.33 C ATOM 0 H LEU A 54 20.082 -2.465 0.401 1.00 0.42 H new ATOM 0 HA LEU A 54 18.007 -4.344 0.378 1.00 52.01 H new ATOM 0 HB2 LEU A 54 18.921 -2.433 -1.294 1.00 11.20 H new ATOM 0 HB3 LEU A 54 19.624 -3.831 -2.084 1.00 11.20 H new ATOM 0 HG LEU A 54 16.781 -2.992 -1.861 1.00 54.22 H new ATOM 0 HD11 LEU A 54 16.721 -3.904 -4.149 1.00 55.42 H new ATOM 0 HD12 LEU A 54 18.041 -2.729 -3.941 1.00 55.42 H new ATOM 0 HD13 LEU A 54 18.397 -4.472 -3.961 1.00 55.42 H new ATOM 0 HD21 LEU A 54 15.968 -5.285 -2.250 1.00 65.33 H new ATOM 0 HD22 LEU A 54 17.614 -5.908 -1.987 1.00 65.33 H new ATOM 0 HD23 LEU A 54 16.738 -5.119 -0.654 1.00 65.33 H new ATOM 928 N TRP A 55 20.909 -5.531 -0.690 1.00 45.23 N ATOM 929 CA TRP A 55 21.662 -6.762 -0.903 1.00 34.33 C ATOM 930 C TRP A 55 21.455 -7.733 0.255 1.00 42.21 C ATOM 931 O TRP A 55 21.318 -8.939 0.050 1.00 31.14 O ATOM 932 CB TRP A 55 23.151 -6.453 -1.066 1.00 74.10 C ATOM 933 CG TRP A 55 23.809 -6.013 0.206 1.00 11.15 C ATOM 934 CD1 TRP A 55 23.944 -4.731 0.659 1.00 73.33 C ATOM 935 CD2 TRP A 55 24.423 -6.854 1.189 1.00 44.12 C ATOM 936 NE1 TRP A 55 24.605 -4.725 1.863 1.00 1.02 N ATOM 937 CE2 TRP A 55 24.909 -6.015 2.210 1.00 4.45 C ATOM 938 CE3 TRP A 55 24.609 -8.234 1.306 1.00 54.00 C ATOM 939 CZ2 TRP A 55 25.568 -6.512 3.331 1.00 25.05 C ATOM 940 CZ3 TRP A 55 25.263 -8.726 2.419 1.00 22.00 C ATOM 941 CH2 TRP A 55 25.736 -7.867 3.420 1.00 21.22 C ATOM 0 H TRP A 55 21.426 -4.678 -0.903 1.00 45.23 H new ATOM 0 HA TRP A 55 21.294 -7.230 -1.816 1.00 34.33 H new ATOM 0 HB2 TRP A 55 23.660 -7.341 -1.442 1.00 74.10 H new ATOM 0 HB3 TRP A 55 23.273 -5.674 -1.818 1.00 74.10 H new ATOM 0 HD1 TRP A 55 23.584 -3.852 0.146 1.00 73.33 H new ATOM 0 HE1 TRP A 55 24.833 -3.895 2.410 1.00 1.02 H new ATOM 0 HE3 TRP A 55 24.248 -8.904 0.540 1.00 54.00 H new ATOM 0 HZ2 TRP A 55 25.934 -5.851 4.103 1.00 25.05 H new ATOM 0 HZ3 TRP A 55 25.412 -9.791 2.519 1.00 22.00 H new ATOM 0 HH2 TRP A 55 26.243 -8.283 4.278 1.00 21.22 H new ATOM 952 N LYS A 56 21.434 -7.199 1.472 1.00 71.53 N ATOM 953 CA LYS A 56 21.243 -8.018 2.663 1.00 33.01 C ATOM 954 C LYS A 56 19.817 -8.555 2.731 1.00 14.12 C ATOM 955 O LYS A 56 19.602 -9.748 2.946 1.00 62.00 O ATOM 956 CB LYS A 56 21.553 -7.204 3.921 1.00 21.14 C ATOM 957 CG LYS A 56 21.682 -8.050 5.177 1.00 55.25 C ATOM 958 CD LYS A 56 23.063 -8.672 5.291 1.00 60.12 C ATOM 959 CE LYS A 56 23.275 -9.312 6.654 1.00 20.21 C ATOM 960 NZ LYS A 56 24.689 -9.196 7.108 1.00 73.24 N ATOM 0 H LYS A 56 21.547 -6.203 1.659 1.00 71.53 H new ATOM 0 HA LYS A 56 21.929 -8.864 2.606 1.00 33.01 H new ATOM 0 HB2 LYS A 56 22.481 -6.653 3.767 1.00 21.14 H new ATOM 0 HB3 LYS A 56 20.765 -6.466 4.070 1.00 21.14 H new ATOM 0 HG2 LYS A 56 21.486 -7.433 6.054 1.00 55.25 H new ATOM 0 HG3 LYS A 56 20.928 -8.837 5.166 1.00 55.25 H new ATOM 0 HD2 LYS A 56 23.190 -9.423 4.511 1.00 60.12 H new ATOM 0 HD3 LYS A 56 23.822 -7.908 5.125 1.00 60.12 H new ATOM 0 HE2 LYS A 56 22.619 -8.837 7.384 1.00 20.21 H new ATOM 0 HE3 LYS A 56 22.993 -10.364 6.609 1.00 20.21 H new ATOM 0 HZ1 LYS A 56 24.792 -9.644 8.041 1.00 73.24 H new ATOM 0 HZ2 LYS A 56 25.313 -9.671 6.425 1.00 73.24 H new ATOM 0 HZ3 LYS A 56 24.951 -8.192 7.176 1.00 73.24 H new ATOM 974 N ARG A 57 18.845 -7.667 2.546 1.00 43.14 N ATOM 975 CA ARG A 57 17.440 -8.052 2.586 1.00 71.32 C ATOM 976 C ARG A 57 17.150 -9.159 1.576 1.00 44.45 C ATOM 977 O ARG A 57 16.370 -10.070 1.845 1.00 31.34 O ATOM 978 CB ARG A 57 16.549 -6.842 2.302 1.00 53.31 C ATOM 979 CG ARG A 57 16.946 -5.597 3.079 1.00 63.23 C ATOM 980 CD ARG A 57 15.778 -5.043 3.879 1.00 21.33 C ATOM 981 NE ARG A 57 14.677 -4.619 3.019 1.00 42.43 N ATOM 982 CZ ARG A 57 14.645 -3.449 2.390 1.00 10.21 C ATOM 983 NH1 ARG A 57 15.648 -2.592 2.525 1.00 32.12 N ATOM 984 NH2 ARG A 57 13.608 -3.134 1.624 1.00 22.30 N ATOM 0 H ARG A 57 19.006 -6.676 2.367 1.00 43.14 H new ATOM 0 HA ARG A 57 17.221 -8.429 3.585 1.00 71.32 H new ATOM 0 HB2 ARG A 57 16.582 -6.620 1.235 1.00 53.31 H new ATOM 0 HB3 ARG A 57 15.517 -7.097 2.543 1.00 53.31 H new ATOM 0 HG2 ARG A 57 17.769 -5.834 3.752 1.00 63.23 H new ATOM 0 HG3 ARG A 57 17.309 -4.836 2.388 1.00 63.23 H new ATOM 0 HD2 ARG A 57 15.422 -5.803 4.575 1.00 21.33 H new ATOM 0 HD3 ARG A 57 16.117 -4.197 4.477 1.00 21.33 H new ATOM 0 HE ARG A 57 13.890 -5.255 2.894 1.00 42.43 H new ATOM 0 HH11 ARG A 57 16.447 -2.830 3.113 1.00 32.12 H new ATOM 0 HH12 ARG A 57 15.621 -1.695 2.041 1.00 32.12 H new ATOM 0 HH21 ARG A 57 12.834 -3.790 1.518 1.00 22.30 H new ATOM 0 HH22 ARG A 57 13.585 -2.236 1.142 1.00 22.30 H new ATOM 998 N ASN A 58 17.785 -9.070 0.411 1.00 72.20 N ATOM 999 CA ASN A 58 17.594 -10.063 -0.640 1.00 45.14 C ATOM 1000 C ASN A 58 18.160 -11.416 -0.220 1.00 32.05 C ATOM 1001 O ASN A 58 17.469 -12.434 -0.276 1.00 0.41 O ATOM 1002 CB ASN A 58 18.263 -9.599 -1.936 1.00 2.21 C ATOM 1003 CG ASN A 58 17.322 -8.804 -2.820 1.00 74.10 C ATOM 1004 OD1 ASN A 58 16.175 -9.196 -3.035 1.00 34.43 O ATOM 1005 ND2 ASN A 58 17.804 -7.680 -3.338 1.00 72.40 N ATOM 0 H ASN A 58 18.435 -8.321 0.172 1.00 72.20 H new ATOM 0 HA ASN A 58 16.523 -10.174 -0.810 1.00 45.14 H new ATOM 0 HB2 ASN A 58 19.133 -8.988 -1.694 1.00 2.21 H new ATOM 0 HB3 ASN A 58 18.626 -10.468 -2.485 1.00 2.21 H new ATOM 0 HD21 ASN A 58 17.217 -7.103 -3.941 1.00 72.40 H new ATOM 0 HD22 ASN A 58 18.761 -7.393 -3.133 1.00 72.40 H new ATOM 1012 N ASP A 59 19.419 -11.419 0.202 1.00 24.34 N ATOM 1013 CA ASP A 59 20.078 -12.647 0.635 1.00 52.43 C ATOM 1014 C ASP A 59 19.259 -13.352 1.711 1.00 21.32 C ATOM 1015 O ASP A 59 18.944 -14.537 1.590 1.00 52.21 O ATOM 1016 CB ASP A 59 21.480 -12.340 1.162 1.00 2.32 C ATOM 1017 CG ASP A 59 22.232 -13.591 1.570 1.00 63.43 C ATOM 1018 OD1 ASP A 59 22.477 -14.449 0.695 1.00 55.44 O ATOM 1019 OD2 ASP A 59 22.577 -13.714 2.763 1.00 4.54 O ATOM 0 H ASP A 59 20.005 -10.585 0.254 1.00 24.34 H new ATOM 0 HA ASP A 59 20.160 -13.310 -0.226 1.00 52.43 H new ATOM 0 HB2 ASP A 59 22.046 -11.813 0.394 1.00 2.32 H new ATOM 0 HB3 ASP A 59 21.404 -11.670 2.018 1.00 2.32 H new ATOM 1024 N LEU A 60 18.919 -12.618 2.765 1.00 74.04 N ATOM 1025 CA LEU A 60 18.137 -13.173 3.864 1.00 21.51 C ATOM 1026 C LEU A 60 16.814 -13.741 3.360 1.00 42.05 C ATOM 1027 O LEU A 60 16.351 -14.779 3.832 1.00 71.31 O ATOM 1028 CB LEU A 60 17.874 -12.100 4.922 1.00 24.52 C ATOM 1029 CG LEU A 60 19.113 -11.461 5.552 1.00 74.32 C ATOM 1030 CD1 LEU A 60 18.820 -10.028 5.968 1.00 45.14 C ATOM 1031 CD2 LEU A 60 19.586 -12.279 6.745 1.00 44.42 C ATOM 0 H LEU A 60 19.173 -11.637 2.882 1.00 74.04 H new ATOM 0 HA LEU A 60 18.712 -13.984 4.312 1.00 21.51 H new ATOM 0 HB2 LEU A 60 17.273 -11.311 4.469 1.00 24.52 H new ATOM 0 HB3 LEU A 60 17.273 -12.542 5.717 1.00 24.52 H new ATOM 0 HG LEU A 60 19.910 -11.446 4.808 1.00 74.32 H new ATOM 0 HD11 LEU A 60 19.712 -9.589 6.414 1.00 45.14 H new ATOM 0 HD12 LEU A 60 18.529 -9.447 5.093 1.00 45.14 H new ATOM 0 HD13 LEU A 60 18.009 -10.019 6.696 1.00 45.14 H new ATOM 0 HD21 LEU A 60 20.468 -11.810 7.181 1.00 44.42 H new ATOM 0 HD22 LEU A 60 18.793 -12.325 7.492 1.00 44.42 H new ATOM 0 HD23 LEU A 60 19.836 -13.288 6.418 1.00 44.42 H new ATOM 1043 N LYS A 61 16.211 -13.054 2.395 1.00 0.04 N ATOM 1044 CA LYS A 61 14.943 -13.490 1.823 1.00 70.12 C ATOM 1045 C LYS A 61 15.063 -14.895 1.242 1.00 31.51 C ATOM 1046 O LYS A 61 14.287 -15.788 1.584 1.00 71.22 O ATOM 1047 CB LYS A 61 14.489 -12.514 0.735 1.00 35.30 C ATOM 1048 CG LYS A 61 13.555 -11.429 1.243 1.00 73.33 C ATOM 1049 CD LYS A 61 12.763 -10.800 0.109 1.00 40.41 C ATOM 1050 CE LYS A 61 13.516 -9.636 -0.518 1.00 22.14 C ATOM 1051 NZ LYS A 61 12.630 -8.796 -1.370 1.00 32.20 N ATOM 0 H LYS A 61 16.581 -12.193 1.993 1.00 0.04 H new ATOM 0 HA LYS A 61 14.200 -13.508 2.620 1.00 70.12 H new ATOM 0 HB2 LYS A 61 15.367 -12.047 0.289 1.00 35.30 H new ATOM 0 HB3 LYS A 61 13.988 -13.072 -0.056 1.00 35.30 H new ATOM 0 HG2 LYS A 61 12.869 -11.852 1.976 1.00 73.33 H new ATOM 0 HG3 LYS A 61 14.133 -10.660 1.755 1.00 73.33 H new ATOM 0 HD2 LYS A 61 12.555 -11.552 -0.652 1.00 40.41 H new ATOM 0 HD3 LYS A 61 11.801 -10.452 0.485 1.00 40.41 H new ATOM 0 HE2 LYS A 61 13.953 -9.021 0.268 1.00 22.14 H new ATOM 0 HE3 LYS A 61 14.341 -10.019 -1.119 1.00 22.14 H new ATOM 0 HZ1 LYS A 61 13.148 -8.496 -2.220 1.00 32.20 H new ATOM 0 HZ2 LYS A 61 11.794 -9.347 -1.651 1.00 32.20 H new ATOM 0 HZ3 LYS A 61 12.328 -7.957 -0.835 1.00 32.20 H new ATOM 1065 N LYS A 62 16.041 -15.086 0.363 1.00 1.02 N ATOM 1066 CA LYS A 62 16.265 -16.383 -0.263 1.00 63.35 C ATOM 1067 C LYS A 62 16.444 -17.472 0.789 1.00 31.53 C ATOM 1068 O LYS A 62 15.919 -18.578 0.650 1.00 44.43 O ATOM 1069 CB LYS A 62 17.497 -16.329 -1.170 1.00 51.31 C ATOM 1070 CG LYS A 62 17.302 -15.474 -2.411 1.00 34.33 C ATOM 1071 CD LYS A 62 18.429 -14.469 -2.579 1.00 14.05 C ATOM 1072 CE LYS A 62 18.201 -13.573 -3.787 1.00 22.43 C ATOM 1073 NZ LYS A 62 19.453 -12.890 -4.214 1.00 4.21 N ATOM 0 H LYS A 62 16.692 -14.358 0.068 1.00 1.02 H new ATOM 0 HA LYS A 62 15.388 -16.624 -0.864 1.00 63.35 H new ATOM 0 HB2 LYS A 62 18.341 -15.940 -0.600 1.00 51.31 H new ATOM 0 HB3 LYS A 62 17.758 -17.342 -1.475 1.00 51.31 H new ATOM 0 HG2 LYS A 62 17.251 -16.115 -3.291 1.00 34.33 H new ATOM 0 HG3 LYS A 62 16.350 -14.947 -2.345 1.00 34.33 H new ATOM 0 HD2 LYS A 62 18.509 -13.857 -1.681 1.00 14.05 H new ATOM 0 HD3 LYS A 62 19.376 -14.998 -2.690 1.00 14.05 H new ATOM 0 HE2 LYS A 62 17.812 -14.169 -4.613 1.00 22.43 H new ATOM 0 HE3 LYS A 62 17.443 -12.827 -3.548 1.00 22.43 H new ATOM 0 HZ1 LYS A 62 19.256 -12.289 -5.040 1.00 4.21 H new ATOM 0 HZ2 LYS A 62 19.811 -12.302 -3.435 1.00 4.21 H new ATOM 0 HZ3 LYS A 62 20.168 -13.602 -4.467 1.00 4.21 H new ATOM 1087 N LYS A 63 17.186 -17.153 1.844 1.00 23.40 N ATOM 1088 CA LYS A 63 17.432 -18.103 2.923 1.00 62.23 C ATOM 1089 C LYS A 63 16.134 -18.461 3.639 1.00 70.21 C ATOM 1090 O LYS A 63 15.967 -19.582 4.118 1.00 63.42 O ATOM 1091 CB LYS A 63 18.435 -17.523 3.922 1.00 2.33 C ATOM 1092 CG LYS A 63 19.032 -18.560 4.857 1.00 21.32 C ATOM 1093 CD LYS A 63 20.283 -18.038 5.544 1.00 31.20 C ATOM 1094 CE LYS A 63 19.953 -16.939 6.542 1.00 30.24 C ATOM 1095 NZ LYS A 63 19.223 -17.468 7.728 1.00 5.32 N ATOM 0 H LYS A 63 17.628 -16.243 1.975 1.00 23.40 H new ATOM 0 HA LYS A 63 17.848 -19.011 2.486 1.00 62.23 H new ATOM 0 HB2 LYS A 63 19.240 -17.035 3.373 1.00 2.33 H new ATOM 0 HB3 LYS A 63 17.941 -16.753 4.515 1.00 2.33 H new ATOM 0 HG2 LYS A 63 18.294 -18.841 5.608 1.00 21.32 H new ATOM 0 HG3 LYS A 63 19.274 -19.462 4.295 1.00 21.32 H new ATOM 0 HD2 LYS A 63 20.787 -18.857 6.057 1.00 31.20 H new ATOM 0 HD3 LYS A 63 20.977 -17.655 4.796 1.00 31.20 H new ATOM 0 HE2 LYS A 63 20.874 -16.456 6.868 1.00 30.24 H new ATOM 0 HE3 LYS A 63 19.348 -16.175 6.054 1.00 30.24 H new ATOM 0 HZ1 LYS A 63 19.209 -16.747 8.477 1.00 5.32 H new ATOM 0 HZ2 LYS A 63 18.247 -17.705 7.458 1.00 5.32 H new ATOM 0 HZ3 LYS A 63 19.702 -18.322 8.078 1.00 5.32 H new ATOM 1109 N ALA A 64 15.217 -17.502 3.707 1.00 51.31 N ATOM 1110 CA ALA A 64 13.932 -17.718 4.361 1.00 5.53 C ATOM 1111 C ALA A 64 12.961 -18.443 3.437 1.00 34.21 C ATOM 1112 O ALA A 64 11.792 -18.634 3.775 1.00 35.00 O ATOM 1113 CB ALA A 64 13.342 -16.391 4.815 1.00 53.22 C ATOM 0 H ALA A 64 15.340 -16.567 3.317 1.00 51.31 H new ATOM 0 HA ALA A 64 14.098 -18.347 5.235 1.00 5.53 H new ATOM 0 HB1 ALA A 64 12.383 -16.567 5.302 1.00 53.22 H new ATOM 0 HB2 ALA A 64 14.023 -15.912 5.518 1.00 53.22 H new ATOM 0 HB3 ALA A 64 13.197 -15.743 3.951 1.00 53.22 H new ATOM 1119 N LEU A 65 13.450 -18.845 2.270 1.00 63.34 N ATOM 1120 CA LEU A 65 12.624 -19.550 1.295 1.00 23.14 C ATOM 1121 C LEU A 65 11.589 -18.614 0.680 1.00 3.21 C ATOM 1122 O LEU A 65 10.512 -19.046 0.269 1.00 35.13 O ATOM 1123 CB LEU A 65 11.924 -20.739 1.956 1.00 63.11 C ATOM 1124 CG LEU A 65 12.774 -21.566 2.922 1.00 73.25 C ATOM 1125 CD1 LEU A 65 11.886 -22.350 3.876 1.00 63.43 C ATOM 1126 CD2 LEU A 65 13.694 -22.504 2.154 1.00 53.15 C ATOM 0 H LEU A 65 14.415 -18.695 1.975 1.00 63.34 H new ATOM 0 HA LEU A 65 13.275 -19.915 0.500 1.00 23.14 H new ATOM 0 HB2 LEU A 65 11.053 -20.368 2.496 1.00 63.11 H new ATOM 0 HB3 LEU A 65 11.555 -21.400 1.172 1.00 63.11 H new ATOM 0 HG LEU A 65 13.391 -20.885 3.508 1.00 73.25 H new ATOM 0 HD11 LEU A 65 12.508 -22.933 4.556 1.00 63.43 H new ATOM 0 HD12 LEU A 65 11.269 -21.659 4.450 1.00 63.43 H new ATOM 0 HD13 LEU A 65 11.244 -23.022 3.306 1.00 63.43 H new ATOM 0 HD21 LEU A 65 14.291 -23.084 2.857 1.00 53.15 H new ATOM 0 HD22 LEU A 65 13.096 -23.179 1.542 1.00 53.15 H new ATOM 0 HD23 LEU A 65 14.354 -21.921 1.512 1.00 53.15 H new ATOM 1138 N LEU A 66 11.924 -17.330 0.618 1.00 40.34 N ATOM 1139 CA LEU A 66 11.025 -16.331 0.050 1.00 74.32 C ATOM 1140 C LEU A 66 11.167 -16.271 -1.468 1.00 15.33 C ATOM 1141 O LEU A 66 10.214 -15.951 -2.179 1.00 35.04 O ATOM 1142 CB LEU A 66 11.310 -14.956 0.655 1.00 11.05 C ATOM 1143 CG LEU A 66 10.356 -14.497 1.759 1.00 72.41 C ATOM 1144 CD1 LEU A 66 11.058 -13.537 2.706 1.00 33.04 C ATOM 1145 CD2 LEU A 66 9.118 -13.847 1.158 1.00 63.23 C ATOM 0 H LEU A 66 12.811 -16.956 0.954 1.00 40.34 H new ATOM 0 HA LEU A 66 10.002 -16.621 0.290 1.00 74.32 H new ATOM 0 HB2 LEU A 66 12.323 -14.961 1.057 1.00 11.05 H new ATOM 0 HB3 LEU A 66 11.289 -14.217 -0.146 1.00 11.05 H new ATOM 0 HG LEU A 66 10.042 -15.372 2.328 1.00 72.41 H new ATOM 0 HD11 LEU A 66 10.364 -13.221 3.485 1.00 33.04 H new ATOM 0 HD12 LEU A 66 11.913 -14.036 3.163 1.00 33.04 H new ATOM 0 HD13 LEU A 66 11.402 -12.664 2.151 1.00 33.04 H new ATOM 0 HD21 LEU A 66 8.451 -13.527 1.958 1.00 63.23 H new ATOM 0 HD22 LEU A 66 9.413 -12.982 0.564 1.00 63.23 H new ATOM 0 HD23 LEU A 66 8.602 -14.566 0.521 1.00 63.23 H new ATOM 1157 N PHE A 67 12.362 -16.582 -1.958 1.00 11.22 N ATOM 1158 CA PHE A 67 12.629 -16.564 -3.391 1.00 74.14 C ATOM 1159 C PHE A 67 12.841 -17.979 -3.923 1.00 5.44 C ATOM 1160 O PHE A 67 13.793 -18.658 -3.541 1.00 65.30 O ATOM 1161 CB PHE A 67 13.858 -15.704 -3.692 1.00 53.23 C ATOM 1162 CG PHE A 67 13.627 -14.235 -3.482 1.00 2.41 C ATOM 1163 CD1 PHE A 67 12.348 -13.744 -3.273 1.00 44.51 C ATOM 1164 CD2 PHE A 67 14.689 -13.345 -3.492 1.00 41.23 C ATOM 1165 CE1 PHE A 67 12.134 -12.392 -3.080 1.00 54.01 C ATOM 1166 CE2 PHE A 67 14.480 -11.992 -3.299 1.00 64.14 C ATOM 1167 CZ PHE A 67 13.201 -11.515 -3.092 1.00 30.30 C ATOM 0 H PHE A 67 13.161 -16.850 -1.384 1.00 11.22 H new ATOM 0 HA PHE A 67 11.762 -16.133 -3.891 1.00 74.14 H new ATOM 0 HB2 PHE A 67 14.683 -16.028 -3.058 1.00 53.23 H new ATOM 0 HB3 PHE A 67 14.165 -15.872 -4.724 1.00 53.23 H new ATOM 0 HD1 PHE A 67 11.510 -14.425 -3.261 1.00 44.51 H new ATOM 0 HD2 PHE A 67 15.692 -13.713 -3.652 1.00 41.23 H new ATOM 0 HE1 PHE A 67 11.132 -12.021 -2.920 1.00 54.01 H new ATOM 0 HE2 PHE A 67 15.316 -11.309 -3.310 1.00 64.14 H new ATOM 0 HZ PHE A 67 13.035 -10.459 -2.940 1.00 30.30 H new