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+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 7 TYR OH : rot -22:sc= 1.23 USER MOD Single : A 9 SER OG : rot -170:sc= -0.547 USER MOD Single : A 13 THR OG1 : rot -31:sc= 0.0214 USER MOD Single : A 14 ASN : amide:sc= -0.885 X(o=-0.89,f=-0.62) USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0158) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0906 USER MOD Single : A 32 HIS : no HE2:sc= 0.457 K(o=0.46,f=-3!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0432 USER MOD Single : A 39 GLN : amide:sc= -1.73 K(o=-1.7,f=-3.8!) USER MOD Single : A 44 MET CE :methyl 140:sc= -5.58! (180deg=-9.22!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0364 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.34! C(o=-2.3!,f=-3.1!) USER MOD Single : A 61 LYS NZ :NH3+ -141:sc= -2.92 (180deg=-4.55!) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= -0.5 (180deg=-0.596) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N LYS A 3 -0.030 -5.688 -1.345 1.00 23.03 N ATOM 40 CA LYS A 3 -0.987 -6.541 -0.650 1.00 51.24 C ATOM 41 C LYS A 3 -0.270 -7.560 0.230 1.00 50.52 C ATOM 42 O LYS A 3 0.489 -8.395 -0.263 1.00 53.54 O ATOM 43 CB LYS A 3 -1.883 -7.263 -1.659 1.00 61.50 C ATOM 44 CG LYS A 3 -2.965 -8.112 -1.013 1.00 65.13 C ATOM 45 CD LYS A 3 -3.994 -8.573 -2.031 1.00 52.54 C ATOM 46 CE LYS A 3 -4.967 -7.458 -2.383 1.00 54.21 C ATOM 47 NZ LYS A 3 -6.009 -7.279 -1.334 1.00 71.50 N ATOM 0 HA LYS A 3 -1.604 -5.908 -0.012 1.00 51.24 H new ATOM 0 HB2 LYS A 3 -2.352 -6.525 -2.309 1.00 61.50 H new ATOM 0 HB3 LYS A 3 -1.264 -7.898 -2.293 1.00 61.50 H new ATOM 0 HG2 LYS A 3 -2.511 -8.980 -0.535 1.00 65.13 H new ATOM 0 HG3 LYS A 3 -3.459 -7.538 -0.229 1.00 65.13 H new ATOM 0 HD2 LYS A 3 -3.487 -8.914 -2.934 1.00 52.54 H new ATOM 0 HD3 LYS A 3 -4.544 -9.426 -1.633 1.00 52.54 H new ATOM 0 HE2 LYS A 3 -4.419 -6.525 -2.513 1.00 54.21 H new ATOM 0 HE3 LYS A 3 -5.446 -7.682 -3.336 1.00 54.21 H new ATOM 0 HZ1 LYS A 3 -6.652 -6.510 -1.611 1.00 71.50 H new ATOM 0 HZ2 LYS A 3 -6.549 -8.161 -1.227 1.00 71.50 H new ATOM 0 HZ3 LYS A 3 -5.554 -7.040 -0.430 1.00 71.50 H new ATOM 61 N ILE A 4 -0.516 -7.486 1.533 1.00 14.44 N ATOM 62 CA ILE A 4 0.104 -8.403 2.481 1.00 62.32 C ATOM 63 C ILE A 4 -0.373 -9.834 2.254 1.00 54.40 C ATOM 64 O ILE A 4 -1.480 -10.200 2.650 1.00 53.30 O ATOM 65 CB ILE A 4 -0.196 -7.998 3.936 1.00 73.30 C ATOM 66 CG1 ILE A 4 0.156 -6.527 4.162 1.00 4.30 C ATOM 67 CG2 ILE A 4 0.572 -8.887 4.903 1.00 71.35 C ATOM 68 CD1 ILE A 4 1.629 -6.225 3.991 1.00 32.11 C ATOM 0 H ILE A 4 -1.141 -6.800 1.957 1.00 14.44 H new ATOM 0 HA ILE A 4 1.180 -8.350 2.313 1.00 62.32 H new ATOM 0 HB ILE A 4 -1.262 -8.129 4.121 1.00 73.30 H new ATOM 0 HG12 ILE A 4 -0.416 -5.914 3.465 1.00 4.30 H new ATOM 0 HG13 ILE A 4 -0.152 -6.238 5.167 1.00 4.30 H new ATOM 0 HG21 ILE A 4 0.349 -8.588 5.927 1.00 71.35 H new ATOM 0 HG22 ILE A 4 0.276 -9.926 4.756 1.00 71.35 H new ATOM 0 HG23 ILE A 4 1.642 -8.785 4.720 1.00 71.35 H new ATOM 0 HD11 ILE A 4 1.806 -5.164 4.166 1.00 32.11 H new ATOM 0 HD12 ILE A 4 2.206 -6.812 4.706 1.00 32.11 H new ATOM 0 HD13 ILE A 4 1.938 -6.482 2.978 1.00 32.11 H new ATOM 80 N TYR A 5 0.469 -10.638 1.616 1.00 70.40 N ATOM 81 CA TYR A 5 0.133 -12.029 1.336 1.00 61.33 C ATOM 82 C TYR A 5 0.623 -12.944 2.454 1.00 30.01 C ATOM 83 O TYR A 5 1.499 -12.589 3.243 1.00 50.31 O ATOM 84 CB TYR A 5 0.743 -12.464 0.002 1.00 33.30 C ATOM 85 CG TYR A 5 -0.145 -12.184 -1.190 1.00 30.45 C ATOM 86 CD1 TYR A 5 -1.465 -12.618 -1.215 1.00 3.11 C ATOM 87 CD2 TYR A 5 0.336 -11.485 -2.290 1.00 21.22 C ATOM 88 CE1 TYR A 5 -2.279 -12.365 -2.302 1.00 1.02 C ATOM 89 CE2 TYR A 5 -0.471 -11.226 -3.380 1.00 74.45 C ATOM 90 CZ TYR A 5 -1.778 -11.669 -3.382 1.00 2.30 C ATOM 91 OH TYR A 5 -2.586 -11.414 -4.466 1.00 11.50 O ATOM 0 H TYR A 5 1.389 -10.351 1.283 1.00 70.40 H new ATOM 0 HA TYR A 5 -0.952 -12.109 1.275 1.00 61.33 H new ATOM 0 HB2 TYR A 5 1.695 -11.952 -0.137 1.00 33.30 H new ATOM 0 HB3 TYR A 5 0.958 -13.532 0.041 1.00 33.30 H new ATOM 0 HD1 TYR A 5 -1.861 -13.162 -0.370 1.00 3.11 H new ATOM 0 HD2 TYR A 5 1.359 -11.138 -2.293 1.00 21.22 H new ATOM 0 HE1 TYR A 5 -3.302 -12.710 -2.306 1.00 1.02 H new ATOM 0 HE2 TYR A 5 -0.082 -10.680 -4.226 1.00 74.45 H new ATOM 0 HH TYR A 5 -3.517 -11.338 -4.169 1.00 11.50 H new ATOM 101 N PRO A 6 0.045 -14.152 2.525 1.00 72.23 N ATOM 102 CA PRO A 6 0.406 -15.145 3.541 1.00 5.31 C ATOM 103 C PRO A 6 1.803 -15.717 3.321 1.00 34.33 C ATOM 104 O PRO A 6 2.170 -16.069 2.200 1.00 4.12 O ATOM 105 CB PRO A 6 -0.653 -16.236 3.365 1.00 42.55 C ATOM 106 CG PRO A 6 -1.097 -16.107 1.948 1.00 4.22 C ATOM 107 CD PRO A 6 -1.006 -14.643 1.617 1.00 12.34 C ATOM 0 HA PRO A 6 0.430 -14.714 4.542 1.00 5.31 H new ATOM 0 HB2 PRO A 6 -0.239 -17.225 3.562 1.00 42.55 H new ATOM 0 HB3 PRO A 6 -1.485 -16.095 4.055 1.00 42.55 H new ATOM 0 HG2 PRO A 6 -0.464 -16.697 1.285 1.00 4.22 H new ATOM 0 HG3 PRO A 6 -2.116 -16.473 1.824 1.00 4.22 H new ATOM 0 HD2 PRO A 6 -0.741 -14.483 0.572 1.00 12.34 H new ATOM 0 HD3 PRO A 6 -1.954 -14.133 1.787 1.00 12.34 H new ATOM 115 N TYR A 7 2.576 -15.809 4.398 1.00 54.53 N ATOM 116 CA TYR A 7 3.932 -16.337 4.322 1.00 44.14 C ATOM 117 C TYR A 7 3.918 -17.833 4.025 1.00 24.41 C ATOM 118 O TYR A 7 4.813 -18.354 3.359 1.00 63.01 O ATOM 119 CB TYR A 7 4.679 -16.072 5.630 1.00 44.12 C ATOM 120 CG TYR A 7 6.048 -16.712 5.686 1.00 43.43 C ATOM 121 CD1 TYR A 7 7.123 -16.159 5.000 1.00 22.10 C ATOM 122 CD2 TYR A 7 6.267 -17.869 6.423 1.00 12.41 C ATOM 123 CE1 TYR A 7 8.376 -16.740 5.048 1.00 74.35 C ATOM 124 CE2 TYR A 7 7.516 -18.456 6.478 1.00 50.25 C ATOM 125 CZ TYR A 7 8.567 -17.888 5.788 1.00 60.11 C ATOM 126 OH TYR A 7 9.813 -18.471 5.838 1.00 14.24 O ATOM 0 H TYR A 7 2.286 -15.525 5.334 1.00 54.53 H new ATOM 0 HA TYR A 7 4.448 -15.828 3.508 1.00 44.14 H new ATOM 0 HB2 TYR A 7 4.784 -14.996 5.767 1.00 44.12 H new ATOM 0 HB3 TYR A 7 4.080 -16.442 6.462 1.00 44.12 H new ATOM 0 HD1 TYR A 7 6.977 -15.260 4.420 1.00 22.10 H new ATOM 0 HD2 TYR A 7 5.446 -18.317 6.963 1.00 12.41 H new ATOM 0 HE1 TYR A 7 9.201 -16.298 4.509 1.00 74.35 H new ATOM 0 HE2 TYR A 7 7.669 -19.354 7.058 1.00 50.25 H new ATOM 0 HH TYR A 7 10.339 -18.186 5.062 1.00 14.24 H new ATOM 136 N ASP A 8 2.896 -18.519 4.524 1.00 31.02 N ATOM 137 CA ASP A 8 2.762 -19.956 4.312 1.00 5.33 C ATOM 138 C ASP A 8 2.548 -20.270 2.835 1.00 44.52 C ATOM 139 O ASP A 8 2.973 -21.316 2.344 1.00 2.53 O ATOM 140 CB ASP A 8 1.600 -20.509 5.138 1.00 54.34 C ATOM 141 CG ASP A 8 0.346 -19.666 5.009 1.00 71.03 C ATOM 142 OD1 ASP A 8 0.278 -18.600 5.655 1.00 2.44 O ATOM 143 OD2 ASP A 8 -0.567 -20.072 4.260 1.00 32.53 O ATOM 0 H ASP A 8 2.148 -18.103 5.078 1.00 31.02 H new ATOM 0 HA ASP A 8 3.687 -20.434 4.636 1.00 5.33 H new ATOM 0 HB2 ASP A 8 1.384 -21.528 4.819 1.00 54.34 H new ATOM 0 HB3 ASP A 8 1.895 -20.559 6.186 1.00 54.34 H new ATOM 148 N SER A 9 1.886 -19.357 2.131 1.00 11.12 N ATOM 149 CA SER A 9 1.611 -19.539 0.711 1.00 51.53 C ATOM 150 C SER A 9 2.665 -18.837 -0.141 1.00 15.33 C ATOM 151 O SER A 9 2.883 -19.195 -1.299 1.00 5.03 O ATOM 152 CB SER A 9 0.220 -19.002 0.366 1.00 2.12 C ATOM 153 OG SER A 9 -0.623 -19.002 1.505 1.00 0.01 O ATOM 0 H SER A 9 1.530 -18.484 2.521 1.00 11.12 H new ATOM 0 HA SER A 9 1.645 -20.607 0.494 1.00 51.53 H new ATOM 0 HB2 SER A 9 0.305 -17.989 -0.028 1.00 2.12 H new ATOM 0 HB3 SER A 9 -0.225 -19.613 -0.420 1.00 2.12 H new ATOM 0 HG SER A 9 -1.543 -18.807 1.231 1.00 0.01 H new ATOM 159 N LEU A 10 3.314 -17.835 0.441 1.00 4.20 N ATOM 160 CA LEU A 10 4.346 -17.081 -0.263 1.00 1.11 C ATOM 161 C LEU A 10 5.644 -17.878 -0.342 1.00 5.43 C ATOM 162 O LEU A 10 6.358 -17.823 -1.344 1.00 13.10 O ATOM 163 CB LEU A 10 4.596 -15.744 0.438 1.00 63.33 C ATOM 164 CG LEU A 10 3.810 -14.548 -0.099 1.00 13.22 C ATOM 165 CD1 LEU A 10 4.116 -13.300 0.714 1.00 2.43 C ATOM 166 CD2 LEU A 10 4.124 -14.319 -1.570 1.00 5.21 C ATOM 0 H LEU A 10 3.144 -17.526 1.398 1.00 4.20 H new ATOM 0 HA LEU A 10 3.995 -16.892 -1.278 1.00 1.11 H new ATOM 0 HB2 LEU A 10 4.362 -15.862 1.496 1.00 63.33 H new ATOM 0 HB3 LEU A 10 5.659 -15.514 0.371 1.00 63.33 H new ATOM 0 HG LEU A 10 2.746 -14.766 -0.006 1.00 13.22 H new ATOM 0 HD11 LEU A 10 3.548 -12.459 0.317 1.00 2.43 H new ATOM 0 HD12 LEU A 10 3.839 -13.467 1.755 1.00 2.43 H new ATOM 0 HD13 LEU A 10 5.182 -13.079 0.654 1.00 2.43 H new ATOM 0 HD21 LEU A 10 3.555 -13.464 -1.935 1.00 5.21 H new ATOM 0 HD22 LEU A 10 5.190 -14.123 -1.688 1.00 5.21 H new ATOM 0 HD23 LEU A 10 3.852 -15.206 -2.142 1.00 5.21 H new ATOM 178 N ILE A 11 5.943 -18.618 0.720 1.00 25.12 N ATOM 179 CA ILE A 11 7.154 -19.429 0.769 1.00 10.44 C ATOM 180 C ILE A 11 7.277 -20.308 -0.470 1.00 62.40 C ATOM 181 O ILE A 11 6.373 -21.081 -0.788 1.00 64.43 O ATOM 182 CB ILE A 11 7.183 -20.321 2.024 1.00 62.41 C ATOM 183 CG1 ILE A 11 5.857 -21.070 2.175 1.00 42.12 C ATOM 184 CG2 ILE A 11 7.470 -19.485 3.262 1.00 33.54 C ATOM 185 CD1 ILE A 11 5.809 -21.975 3.386 1.00 53.11 C ATOM 0 H ILE A 11 5.364 -18.673 1.558 1.00 25.12 H new ATOM 0 HA ILE A 11 7.996 -18.738 0.805 1.00 10.44 H new ATOM 0 HB ILE A 11 7.982 -21.054 1.912 1.00 62.41 H new ATOM 0 HG12 ILE A 11 5.045 -20.346 2.240 1.00 42.12 H new ATOM 0 HG13 ILE A 11 5.681 -21.666 1.279 1.00 42.12 H new ATOM 0 HG21 ILE A 11 7.487 -20.130 4.141 1.00 33.54 H new ATOM 0 HG22 ILE A 11 8.437 -18.994 3.153 1.00 33.54 H new ATOM 0 HG23 ILE A 11 6.692 -18.731 3.380 1.00 33.54 H new ATOM 0 HD11 ILE A 11 4.841 -22.473 3.430 1.00 53.11 H new ATOM 0 HD12 ILE A 11 6.599 -22.723 3.313 1.00 53.11 H new ATOM 0 HD13 ILE A 11 5.953 -21.382 4.289 1.00 53.11 H new ATOM 197 N VAL A 12 8.403 -20.187 -1.166 1.00 3.21 N ATOM 198 CA VAL A 12 8.647 -20.973 -2.369 1.00 60.13 C ATOM 199 C VAL A 12 8.627 -22.466 -2.063 1.00 63.54 C ATOM 200 O VAL A 12 8.383 -23.290 -2.946 1.00 15.21 O ATOM 201 CB VAL A 12 9.998 -20.610 -3.013 1.00 3.21 C ATOM 202 CG1 VAL A 12 10.090 -19.111 -3.254 1.00 15.34 C ATOM 203 CG2 VAL A 12 11.149 -21.089 -2.141 1.00 62.12 C ATOM 0 H VAL A 12 9.161 -19.552 -0.917 1.00 3.21 H new ATOM 0 HA VAL A 12 7.845 -20.738 -3.069 1.00 60.13 H new ATOM 0 HB VAL A 12 10.068 -21.114 -3.977 1.00 3.21 H new ATOM 0 HG11 VAL A 12 11.052 -18.874 -3.709 1.00 15.34 H new ATOM 0 HG12 VAL A 12 9.286 -18.800 -3.921 1.00 15.34 H new ATOM 0 HG13 VAL A 12 9.998 -18.584 -2.305 1.00 15.34 H new ATOM 0 HG21 VAL A 12 12.096 -20.824 -2.611 1.00 62.12 H new ATOM 0 HG22 VAL A 12 11.085 -20.615 -1.161 1.00 62.12 H new ATOM 0 HG23 VAL A 12 11.092 -22.171 -2.025 1.00 62.12 H new ATOM 213 N THR A 13 8.887 -22.811 -0.806 1.00 14.13 N ATOM 214 CA THR A 13 8.899 -24.205 -0.382 1.00 65.43 C ATOM 215 C THR A 13 7.549 -24.868 -0.630 1.00 41.23 C ATOM 216 O THR A 13 7.450 -26.092 -0.692 1.00 62.44 O ATOM 217 CB THR A 13 9.256 -24.336 1.110 1.00 21.05 C ATOM 218 OG1 THR A 13 9.312 -25.718 1.482 1.00 43.13 O ATOM 219 CG2 THR A 13 8.234 -23.614 1.976 1.00 24.31 C ATOM 0 H THR A 13 9.092 -22.143 -0.063 1.00 14.13 H new ATOM 0 HA THR A 13 9.662 -24.708 -0.976 1.00 65.43 H new ATOM 0 HB THR A 13 10.232 -23.878 1.268 1.00 21.05 H new ATOM 0 HG1 THR A 13 8.681 -26.230 0.934 1.00 43.13 H new ATOM 0 HG21 THR A 13 8.507 -23.720 3.026 1.00 24.31 H new ATOM 0 HG22 THR A 13 8.215 -22.557 1.711 1.00 24.31 H new ATOM 0 HG23 THR A 13 7.247 -24.047 1.812 1.00 24.31 H new ATOM 227 N ASN A 14 6.511 -24.050 -0.772 1.00 41.12 N ATOM 228 CA ASN A 14 5.165 -24.558 -1.014 1.00 5.41 C ATOM 229 C ASN A 14 4.817 -24.490 -2.498 1.00 12.44 C ATOM 230 O ASN A 14 3.665 -24.688 -2.885 1.00 22.32 O ATOM 231 CB ASN A 14 4.143 -23.760 -0.201 1.00 64.13 C ATOM 232 CG ASN A 14 3.672 -24.509 1.030 1.00 25.42 C ATOM 233 OD1 ASN A 14 4.420 -24.673 1.995 1.00 51.23 O ATOM 234 ND2 ASN A 14 2.427 -24.969 1.002 1.00 20.34 N ATOM 0 H ASN A 14 6.576 -23.033 -0.724 1.00 41.12 H new ATOM 0 HA ASN A 14 5.134 -25.601 -0.700 1.00 5.41 H new ATOM 0 HB2 ASN A 14 4.585 -22.811 0.102 1.00 64.13 H new ATOM 0 HB3 ASN A 14 3.285 -23.526 -0.831 1.00 64.13 H new ATOM 0 HD21 ASN A 14 2.055 -25.482 1.801 1.00 20.34 H new ATOM 0 HD22 ASN A 14 1.843 -24.810 0.181 1.00 20.34 H new ATOM 241 N ARG A 15 5.820 -24.208 -3.323 1.00 75.12 N ATOM 242 CA ARG A 15 5.619 -24.113 -4.764 1.00 61.32 C ATOM 243 C ARG A 15 4.907 -25.353 -5.297 1.00 35.13 C ATOM 244 O ARG A 15 4.177 -25.285 -6.287 1.00 5.43 O ATOM 245 CB ARG A 15 6.961 -23.938 -5.477 1.00 24.02 C ATOM 246 CG ARG A 15 7.423 -22.492 -5.559 1.00 21.22 C ATOM 247 CD ARG A 15 8.904 -22.398 -5.890 1.00 63.42 C ATOM 248 NE ARG A 15 9.268 -23.254 -7.017 1.00 4.34 N ATOM 249 CZ ARG A 15 10.523 -23.500 -7.377 1.00 0.11 C ATOM 250 NH1 ARG A 15 11.528 -22.959 -6.703 1.00 3.14 N ATOM 251 NH2 ARG A 15 10.774 -24.289 -8.414 1.00 22.24 N ATOM 0 H ARG A 15 6.779 -24.041 -3.019 1.00 75.12 H new ATOM 0 HA ARG A 15 4.993 -23.242 -4.961 1.00 61.32 H new ATOM 0 HB2 ARG A 15 7.719 -24.524 -4.956 1.00 24.02 H new ATOM 0 HB3 ARG A 15 6.882 -24.343 -6.486 1.00 24.02 H new ATOM 0 HG2 ARG A 15 6.845 -21.967 -6.320 1.00 21.22 H new ATOM 0 HG3 ARG A 15 7.229 -21.993 -4.610 1.00 21.22 H new ATOM 0 HD2 ARG A 15 9.159 -21.364 -6.123 1.00 63.42 H new ATOM 0 HD3 ARG A 15 9.490 -22.681 -5.015 1.00 63.42 H new ATOM 0 HE ARG A 15 8.518 -23.686 -7.557 1.00 4.34 H new ATOM 0 HH11 ARG A 15 11.339 -22.352 -5.905 1.00 3.14 H new ATOM 0 HH12 ARG A 15 12.490 -23.150 -6.982 1.00 3.14 H new ATOM 0 HH21 ARG A 15 10.003 -24.707 -8.935 1.00 22.24 H new ATOM 0 HH22 ARG A 15 11.738 -24.477 -8.690 1.00 22.24 H new ATOM 265 N ILE A 16 5.123 -26.484 -4.634 1.00 20.12 N ATOM 266 CA ILE A 16 4.501 -27.738 -5.040 1.00 62.22 C ATOM 267 C ILE A 16 3.020 -27.759 -4.680 1.00 74.12 C ATOM 268 O ILE A 16 2.199 -28.305 -5.418 1.00 31.55 O ATOM 269 CB ILE A 16 5.194 -28.948 -4.386 1.00 21.10 C ATOM 270 CG1 ILE A 16 4.548 -30.251 -4.860 1.00 61.44 C ATOM 271 CG2 ILE A 16 5.129 -28.840 -2.870 1.00 3.41 C ATOM 272 CD1 ILE A 16 4.592 -30.436 -6.361 1.00 74.11 C ATOM 0 H ILE A 16 5.724 -26.558 -3.813 1.00 20.12 H new ATOM 0 HA ILE A 16 4.610 -27.808 -6.122 1.00 62.22 H new ATOM 0 HB ILE A 16 6.242 -28.953 -4.686 1.00 21.10 H new ATOM 0 HG12 ILE A 16 5.052 -31.092 -4.383 1.00 61.44 H new ATOM 0 HG13 ILE A 16 3.510 -30.274 -4.530 1.00 61.44 H new ATOM 0 HG21 ILE A 16 5.623 -29.702 -2.422 1.00 3.41 H new ATOM 0 HG22 ILE A 16 5.630 -27.927 -2.548 1.00 3.41 H new ATOM 0 HG23 ILE A 16 4.087 -28.813 -2.552 1.00 3.41 H new ATOM 0 HD11 ILE A 16 4.116 -31.380 -6.625 1.00 74.11 H new ATOM 0 HD12 ILE A 16 4.062 -29.615 -6.844 1.00 74.11 H new ATOM 0 HD13 ILE A 16 5.629 -30.446 -6.696 1.00 74.11 H new ATOM 284 N ARG A 17 2.684 -27.159 -3.543 1.00 21.12 N ATOM 285 CA ARG A 17 1.301 -27.108 -3.085 1.00 31.20 C ATOM 286 C ARG A 17 0.510 -26.059 -3.861 1.00 33.12 C ATOM 287 O ARG A 17 -0.609 -26.314 -4.307 1.00 31.34 O ATOM 288 CB ARG A 17 1.248 -26.798 -1.588 1.00 31.21 C ATOM 289 CG ARG A 17 2.264 -27.577 -0.768 1.00 72.13 C ATOM 290 CD ARG A 17 2.161 -29.072 -1.028 1.00 15.11 C ATOM 291 NE ARG A 17 3.109 -29.834 -0.221 1.00 24.41 N ATOM 292 CZ ARG A 17 2.910 -30.137 1.057 1.00 64.30 C ATOM 293 NH1 ARG A 17 1.802 -29.745 1.670 1.00 41.11 N ATOM 294 NH2 ARG A 17 3.821 -30.835 1.724 1.00 12.24 N ATOM 0 H ARG A 17 3.351 -26.701 -2.922 1.00 21.12 H new ATOM 0 HA ARG A 17 0.849 -28.084 -3.263 1.00 31.20 H new ATOM 0 HB2 ARG A 17 1.416 -25.731 -1.440 1.00 31.21 H new ATOM 0 HB3 ARG A 17 0.248 -27.018 -1.215 1.00 31.21 H new ATOM 0 HG2 ARG A 17 3.269 -27.233 -1.010 1.00 72.13 H new ATOM 0 HG3 ARG A 17 2.106 -27.379 0.292 1.00 72.13 H new ATOM 0 HD2 ARG A 17 1.147 -29.409 -0.811 1.00 15.11 H new ATOM 0 HD3 ARG A 17 2.343 -29.270 -2.084 1.00 15.11 H new ATOM 0 HE ARG A 17 3.972 -30.151 -0.663 1.00 24.41 H new ATOM 0 HH11 ARG A 17 1.099 -29.209 1.160 1.00 41.11 H new ATOM 0 HH12 ARG A 17 1.652 -29.979 2.651 1.00 41.11 H new ATOM 0 HH21 ARG A 17 4.674 -31.139 1.255 1.00 12.24 H new ATOM 0 HH22 ARG A 17 3.668 -31.067 2.705 1.00 12.24 H new ATOM 308 N VAL A 18 1.099 -24.878 -4.018 1.00 15.32 N ATOM 309 CA VAL A 18 0.450 -23.790 -4.740 1.00 15.02 C ATOM 310 C VAL A 18 1.470 -22.766 -5.224 1.00 11.24 C ATOM 311 O VAL A 18 2.514 -22.571 -4.601 1.00 62.23 O ATOM 312 CB VAL A 18 -0.598 -23.080 -3.862 1.00 1.31 C ATOM 313 CG1 VAL A 18 0.073 -22.385 -2.687 1.00 31.14 C ATOM 314 CG2 VAL A 18 -1.402 -22.089 -4.689 1.00 52.43 C ATOM 0 H VAL A 18 2.025 -24.650 -3.655 1.00 15.32 H new ATOM 0 HA VAL A 18 -0.050 -24.235 -5.601 1.00 15.02 H new ATOM 0 HB VAL A 18 -1.284 -23.829 -3.467 1.00 1.31 H new ATOM 0 HG11 VAL A 18 -0.683 -21.889 -2.078 1.00 31.14 H new ATOM 0 HG12 VAL A 18 0.601 -23.122 -2.082 1.00 31.14 H new ATOM 0 HG13 VAL A 18 0.782 -21.646 -3.058 1.00 31.14 H new ATOM 0 HG21 VAL A 18 -2.138 -21.597 -4.053 1.00 52.43 H new ATOM 0 HG22 VAL A 18 -0.732 -21.342 -5.114 1.00 52.43 H new ATOM 0 HG23 VAL A 18 -1.914 -22.617 -5.494 1.00 52.43 H new ATOM 324 N LYS A 19 1.161 -22.112 -6.338 1.00 53.12 N ATOM 325 CA LYS A 19 2.049 -21.105 -6.907 1.00 1.04 C ATOM 326 C LYS A 19 1.595 -19.700 -6.523 1.00 62.21 C ATOM 327 O LYS A 19 0.416 -19.471 -6.249 1.00 4.32 O ATOM 328 CB LYS A 19 2.097 -21.239 -8.430 1.00 54.13 C ATOM 329 CG LYS A 19 2.492 -22.626 -8.907 1.00 3.30 C ATOM 330 CD LYS A 19 1.273 -23.480 -9.209 1.00 71.35 C ATOM 331 CE LYS A 19 0.608 -23.062 -10.512 1.00 12.53 C ATOM 332 NZ LYS A 19 1.364 -23.543 -11.701 1.00 31.43 N ATOM 0 H LYS A 19 0.301 -22.261 -6.866 1.00 53.12 H new ATOM 0 HA LYS A 19 3.048 -21.268 -6.503 1.00 1.04 H new ATOM 0 HB2 LYS A 19 1.118 -20.988 -8.839 1.00 54.13 H new ATOM 0 HB3 LYS A 19 2.805 -20.512 -8.828 1.00 54.13 H new ATOM 0 HG2 LYS A 19 3.109 -22.542 -9.802 1.00 3.30 H new ATOM 0 HG3 LYS A 19 3.100 -23.114 -8.145 1.00 3.30 H new ATOM 0 HD2 LYS A 19 1.567 -24.528 -9.269 1.00 71.35 H new ATOM 0 HD3 LYS A 19 0.557 -23.397 -8.391 1.00 71.35 H new ATOM 0 HE2 LYS A 19 -0.408 -23.456 -10.544 1.00 12.53 H new ATOM 0 HE3 LYS A 19 0.529 -21.975 -10.547 1.00 12.53 H new ATOM 0 HZ1 LYS A 19 0.827 -23.326 -12.565 1.00 31.43 H new ATOM 0 HZ2 LYS A 19 2.289 -23.068 -11.740 1.00 31.43 H new ATOM 0 HZ3 LYS A 19 1.505 -24.571 -11.630 1.00 31.43 H new ATOM 346 N LEU A 20 2.537 -18.763 -6.507 1.00 74.10 N ATOM 347 CA LEU A 20 2.233 -17.379 -6.159 1.00 31.44 C ATOM 348 C LEU A 20 1.159 -16.809 -7.080 1.00 21.14 C ATOM 349 O LEU A 20 1.005 -17.227 -8.227 1.00 73.23 O ATOM 350 CB LEU A 20 3.498 -16.523 -6.240 1.00 12.03 C ATOM 351 CG LEU A 20 4.719 -17.056 -5.489 1.00 73.54 C ATOM 352 CD1 LEU A 20 5.968 -16.284 -5.885 1.00 33.11 C ATOM 353 CD2 LEU A 20 4.496 -16.980 -3.986 1.00 61.40 C ATOM 0 H LEU A 20 3.517 -18.936 -6.731 1.00 74.10 H new ATOM 0 HA LEU A 20 1.855 -17.362 -5.137 1.00 31.44 H new ATOM 0 HB2 LEU A 20 3.766 -16.404 -7.290 1.00 12.03 H new ATOM 0 HB3 LEU A 20 3.266 -15.530 -5.856 1.00 12.03 H new ATOM 0 HG LEU A 20 4.862 -18.102 -5.762 1.00 73.54 H new ATOM 0 HD11 LEU A 20 6.827 -16.677 -5.341 1.00 33.11 H new ATOM 0 HD12 LEU A 20 6.138 -16.391 -6.956 1.00 33.11 H new ATOM 0 HD13 LEU A 20 5.836 -15.230 -5.642 1.00 33.11 H new ATOM 0 HD21 LEU A 20 5.375 -17.363 -3.468 1.00 61.40 H new ATOM 0 HD22 LEU A 20 4.327 -15.943 -3.695 1.00 61.40 H new ATOM 0 HD23 LEU A 20 3.626 -17.579 -3.717 1.00 61.40 H new ATOM 365 N PRO A 21 0.399 -15.829 -6.568 1.00 24.33 N ATOM 366 CA PRO A 21 -0.671 -15.178 -7.328 1.00 73.33 C ATOM 367 C PRO A 21 -0.133 -14.305 -8.456 1.00 43.03 C ATOM 368 O PRO A 21 1.059 -14.335 -8.764 1.00 1.10 O ATOM 369 CB PRO A 21 -1.380 -14.319 -6.279 1.00 12.14 C ATOM 370 CG PRO A 21 -0.344 -14.056 -5.241 1.00 64.14 C ATOM 371 CD PRO A 21 0.528 -15.281 -5.207 1.00 72.10 C ATOM 0 HA PRO A 21 -1.322 -15.903 -7.816 1.00 73.33 H new ATOM 0 HB2 PRO A 21 -1.750 -13.390 -6.713 1.00 12.14 H new ATOM 0 HB3 PRO A 21 -2.240 -14.839 -5.857 1.00 12.14 H new ATOM 0 HG2 PRO A 21 0.239 -13.169 -5.487 1.00 64.14 H new ATOM 0 HG3 PRO A 21 -0.803 -13.876 -4.269 1.00 64.14 H new ATOM 0 HD2 PRO A 21 1.562 -15.032 -4.971 1.00 72.10 H new ATOM 0 HD3 PRO A 21 0.192 -15.993 -4.453 1.00 72.10 H new ATOM 379 N LYS A 22 -1.018 -13.527 -9.070 1.00 42.20 N ATOM 380 CA LYS A 22 -0.632 -12.643 -10.163 1.00 42.24 C ATOM 381 C LYS A 22 -0.307 -11.245 -9.645 1.00 35.53 C ATOM 382 O LYS A 22 0.595 -10.579 -10.152 1.00 10.14 O ATOM 383 CB LYS A 22 -1.752 -12.565 -11.203 1.00 62.04 C ATOM 384 CG LYS A 22 -2.994 -11.846 -10.707 1.00 32.33 C ATOM 385 CD LYS A 22 -4.261 -12.468 -11.270 1.00 41.15 C ATOM 386 CE LYS A 22 -4.481 -13.873 -10.730 1.00 44.42 C ATOM 387 NZ LYS A 22 -5.475 -13.891 -9.622 1.00 31.41 N ATOM 0 H LYS A 22 -2.008 -13.491 -8.829 1.00 42.20 H new ATOM 0 HA LYS A 22 0.262 -13.055 -10.631 1.00 42.24 H new ATOM 0 HB2 LYS A 22 -1.377 -12.055 -12.090 1.00 62.04 H new ATOM 0 HB3 LYS A 22 -2.025 -13.576 -11.507 1.00 62.04 H new ATOM 0 HG2 LYS A 22 -3.024 -11.879 -9.618 1.00 32.33 H new ATOM 0 HG3 LYS A 22 -2.946 -10.795 -10.993 1.00 32.33 H new ATOM 0 HD2 LYS A 22 -5.117 -11.842 -11.018 1.00 41.15 H new ATOM 0 HD3 LYS A 22 -4.199 -12.501 -12.358 1.00 41.15 H new ATOM 0 HE2 LYS A 22 -4.823 -14.522 -11.536 1.00 44.42 H new ATOM 0 HE3 LYS A 22 -3.534 -14.278 -10.375 1.00 44.42 H new ATOM 0 HZ1 LYS A 22 -5.597 -14.866 -9.281 1.00 31.41 H new ATOM 0 HZ2 LYS A 22 -5.137 -13.291 -8.842 1.00 31.41 H new ATOM 0 HZ3 LYS A 22 -6.386 -13.528 -9.967 1.00 31.41 H new ATOM 401 N ASP A 23 -1.048 -10.809 -8.632 1.00 24.15 N ATOM 402 CA ASP A 23 -0.837 -9.492 -8.042 1.00 43.24 C ATOM 403 C ASP A 23 0.265 -9.538 -6.988 1.00 72.01 C ATOM 404 O ASP A 23 0.079 -9.081 -5.860 1.00 73.02 O ATOM 405 CB ASP A 23 -2.134 -8.974 -7.420 1.00 34.42 C ATOM 406 CG ASP A 23 -3.355 -9.333 -8.244 1.00 33.21 C ATOM 407 OD1 ASP A 23 -3.370 -9.016 -9.451 1.00 43.43 O ATOM 408 OD2 ASP A 23 -4.297 -9.931 -7.681 1.00 43.12 O ATOM 0 H ASP A 23 -1.800 -11.348 -8.202 1.00 24.15 H new ATOM 0 HA ASP A 23 -0.527 -8.812 -8.835 1.00 43.24 H new ATOM 0 HB2 ASP A 23 -2.242 -9.386 -6.417 1.00 34.42 H new ATOM 0 HB3 ASP A 23 -2.076 -7.891 -7.315 1.00 34.42 H new ATOM 413 N VAL A 24 1.413 -10.094 -7.363 1.00 34.23 N ATOM 414 CA VAL A 24 2.544 -10.200 -6.450 1.00 25.42 C ATOM 415 C VAL A 24 3.867 -10.088 -7.199 1.00 43.31 C ATOM 416 O VAL A 24 4.036 -10.666 -8.273 1.00 34.12 O ATOM 417 CB VAL A 24 2.518 -11.531 -5.675 1.00 74.41 C ATOM 418 CG1 VAL A 24 2.831 -12.696 -6.602 1.00 42.44 C ATOM 419 CG2 VAL A 24 3.495 -11.489 -4.510 1.00 12.11 C ATOM 0 H VAL A 24 1.584 -10.478 -8.293 1.00 34.23 H new ATOM 0 HA VAL A 24 2.458 -9.375 -5.743 1.00 25.42 H new ATOM 0 HB VAL A 24 1.515 -11.677 -5.273 1.00 74.41 H new ATOM 0 HG11 VAL A 24 2.808 -13.627 -6.036 1.00 42.44 H new ATOM 0 HG12 VAL A 24 2.088 -12.737 -7.399 1.00 42.44 H new ATOM 0 HG13 VAL A 24 3.821 -12.560 -7.036 1.00 42.44 H new ATOM 0 HG21 VAL A 24 3.463 -12.438 -3.974 1.00 12.11 H new ATOM 0 HG22 VAL A 24 4.504 -11.319 -4.887 1.00 12.11 H new ATOM 0 HG23 VAL A 24 3.219 -10.680 -3.833 1.00 12.11 H new ATOM 429 N ASP A 25 4.804 -9.340 -6.626 1.00 13.13 N ATOM 430 CA ASP A 25 6.114 -9.152 -7.238 1.00 74.14 C ATOM 431 C ASP A 25 7.174 -9.980 -6.519 1.00 11.33 C ATOM 432 O ASP A 25 7.520 -9.700 -5.371 1.00 31.23 O ATOM 433 CB ASP A 25 6.503 -7.673 -7.218 1.00 34.11 C ATOM 434 CG ASP A 25 6.064 -6.942 -8.472 1.00 3.35 C ATOM 435 OD1 ASP A 25 4.860 -6.633 -8.587 1.00 60.35 O ATOM 436 OD2 ASP A 25 6.926 -6.679 -9.337 1.00 55.41 O ATOM 0 H ASP A 25 4.680 -8.854 -5.738 1.00 13.13 H new ATOM 0 HA ASP A 25 6.056 -9.490 -8.273 1.00 74.14 H new ATOM 0 HB2 ASP A 25 6.056 -7.194 -6.347 1.00 34.11 H new ATOM 0 HB3 ASP A 25 7.584 -7.586 -7.110 1.00 34.11 H new ATOM 441 N ARG A 26 7.685 -11.000 -7.201 1.00 13.34 N ATOM 442 CA ARG A 26 8.704 -11.869 -6.625 1.00 73.44 C ATOM 443 C ARG A 26 9.986 -11.092 -6.344 1.00 1.13 C ATOM 444 O ARG A 26 10.714 -11.394 -5.397 1.00 73.11 O ATOM 445 CB ARG A 26 8.999 -13.037 -7.568 1.00 62.23 C ATOM 446 CG ARG A 26 10.036 -14.009 -7.028 1.00 53.11 C ATOM 447 CD ARG A 26 9.392 -15.099 -6.186 1.00 73.22 C ATOM 448 NE ARG A 26 10.149 -16.347 -6.234 1.00 4.24 N ATOM 449 CZ ARG A 26 10.230 -17.117 -7.313 1.00 3.02 C ATOM 450 NH1 ARG A 26 9.603 -16.769 -8.428 1.00 45.01 N ATOM 451 NH2 ARG A 26 10.940 -18.238 -7.278 1.00 13.21 N ATOM 0 H ARG A 26 7.410 -11.245 -8.152 1.00 13.34 H new ATOM 0 HA ARG A 26 8.323 -12.259 -5.681 1.00 73.44 H new ATOM 0 HB2 ARG A 26 8.073 -13.578 -7.763 1.00 62.23 H new ATOM 0 HB3 ARG A 26 9.345 -12.643 -8.523 1.00 62.23 H new ATOM 0 HG2 ARG A 26 10.579 -14.462 -7.858 1.00 53.11 H new ATOM 0 HG3 ARG A 26 10.766 -13.467 -6.427 1.00 53.11 H new ATOM 0 HD2 ARG A 26 9.315 -14.761 -5.153 1.00 73.22 H new ATOM 0 HD3 ARG A 26 8.376 -15.277 -6.539 1.00 73.22 H new ATOM 0 HE ARG A 26 10.643 -16.644 -5.392 1.00 4.24 H new ATOM 0 HH11 ARG A 26 9.057 -15.908 -8.459 1.00 45.01 H new ATOM 0 HH12 ARG A 26 9.667 -17.362 -9.255 1.00 45.01 H new ATOM 0 HH21 ARG A 26 11.424 -18.509 -6.422 1.00 13.21 H new ATOM 0 HH22 ARG A 26 11.002 -18.829 -8.107 1.00 13.21 H new ATOM 465 N THR A 27 10.258 -10.089 -7.173 1.00 1.45 N ATOM 466 CA THR A 27 11.453 -9.269 -7.014 1.00 53.03 C ATOM 467 C THR A 27 11.566 -8.731 -5.592 1.00 41.05 C ATOM 468 O THR A 27 12.591 -8.906 -4.932 1.00 55.35 O ATOM 469 CB THR A 27 11.457 -8.086 -8.001 1.00 10.24 C ATOM 470 OG1 THR A 27 10.260 -7.316 -7.847 1.00 13.53 O ATOM 471 CG2 THR A 27 11.568 -8.578 -9.436 1.00 5.04 C ATOM 0 H THR A 27 9.667 -9.825 -7.961 1.00 1.45 H new ATOM 0 HA THR A 27 12.308 -9.912 -7.225 1.00 53.03 H new ATOM 0 HB THR A 27 12.322 -7.461 -7.780 1.00 10.24 H new ATOM 0 HG1 THR A 27 10.271 -6.565 -8.477 1.00 13.53 H new ATOM 0 HG21 THR A 27 11.569 -7.725 -10.114 1.00 5.04 H new ATOM 0 HG22 THR A 27 12.495 -9.139 -9.558 1.00 5.04 H new ATOM 0 HG23 THR A 27 10.720 -9.223 -9.666 1.00 5.04 H new ATOM 479 N ARG A 28 10.507 -8.077 -5.126 1.00 44.22 N ATOM 480 CA ARG A 28 10.489 -7.513 -3.782 1.00 11.21 C ATOM 481 C ARG A 28 9.332 -8.085 -2.968 1.00 54.42 C ATOM 482 O ARG A 28 8.456 -7.348 -2.512 1.00 31.31 O ATOM 483 CB ARG A 28 10.377 -5.989 -3.847 1.00 14.52 C ATOM 484 CG ARG A 28 11.358 -5.346 -4.813 1.00 61.14 C ATOM 485 CD ARG A 28 12.795 -5.524 -4.349 1.00 20.14 C ATOM 486 NE ARG A 28 13.238 -4.418 -3.505 1.00 4.41 N ATOM 487 CZ ARG A 28 13.560 -3.218 -3.975 1.00 53.45 C ATOM 488 NH1 ARG A 28 13.487 -2.971 -5.276 1.00 54.50 N ATOM 489 NH2 ARG A 28 13.954 -2.262 -3.144 1.00 45.43 N ATOM 0 H ARG A 28 9.651 -7.925 -5.659 1.00 44.22 H new ATOM 0 HA ARG A 28 11.424 -7.781 -3.290 1.00 11.21 H new ATOM 0 HB2 ARG A 28 9.362 -5.720 -4.141 1.00 14.52 H new ATOM 0 HB3 ARG A 28 10.540 -5.579 -2.850 1.00 14.52 H new ATOM 0 HG2 ARG A 28 11.237 -5.786 -5.803 1.00 61.14 H new ATOM 0 HG3 ARG A 28 11.134 -4.283 -4.907 1.00 61.14 H new ATOM 0 HD2 ARG A 28 12.885 -6.460 -3.797 1.00 20.14 H new ATOM 0 HD3 ARG A 28 13.449 -5.602 -5.217 1.00 20.14 H new ATOM 0 HE ARG A 28 13.304 -4.575 -2.499 1.00 4.41 H new ATOM 0 HH11 ARG A 28 13.183 -3.703 -5.918 1.00 54.50 H new ATOM 0 HH12 ARG A 28 13.735 -2.049 -5.635 1.00 54.50 H new ATOM 0 HH21 ARG A 28 14.010 -2.448 -2.143 1.00 45.43 H new ATOM 0 HH22 ARG A 28 14.201 -1.341 -3.506 1.00 45.43 H new ATOM 503 N LEU A 29 9.334 -9.401 -2.791 1.00 33.11 N ATOM 504 CA LEU A 29 8.284 -10.073 -2.033 1.00 11.34 C ATOM 505 C LEU A 29 8.283 -9.612 -0.579 1.00 14.24 C ATOM 506 O LEU A 29 7.308 -9.813 0.145 1.00 71.11 O ATOM 507 CB LEU A 29 8.471 -11.590 -2.099 1.00 14.54 C ATOM 508 CG LEU A 29 7.221 -12.431 -1.840 1.00 74.53 C ATOM 509 CD1 LEU A 29 6.179 -12.186 -2.921 1.00 10.01 C ATOM 510 CD2 LEU A 29 7.578 -13.909 -1.768 1.00 3.25 C ATOM 0 H LEU A 29 10.051 -10.025 -3.162 1.00 33.11 H new ATOM 0 HA LEU A 29 7.324 -9.812 -2.479 1.00 11.34 H new ATOM 0 HB2 LEU A 29 8.859 -11.846 -3.085 1.00 14.54 H new ATOM 0 HB3 LEU A 29 9.233 -11.874 -1.373 1.00 14.54 H new ATOM 0 HG LEU A 29 6.798 -12.132 -0.881 1.00 74.53 H new ATOM 0 HD11 LEU A 29 5.296 -12.793 -2.720 1.00 10.01 H new ATOM 0 HD12 LEU A 29 5.901 -11.132 -2.926 1.00 10.01 H new ATOM 0 HD13 LEU A 29 6.592 -12.457 -3.893 1.00 10.01 H new ATOM 0 HD21 LEU A 29 6.676 -14.493 -1.583 1.00 3.25 H new ATOM 0 HD22 LEU A 29 8.025 -14.222 -2.712 1.00 3.25 H new ATOM 0 HD23 LEU A 29 8.288 -14.073 -0.958 1.00 3.25 H new ATOM 522 N GLU A 30 9.381 -8.991 -0.159 1.00 14.21 N ATOM 523 CA GLU A 30 9.505 -8.500 1.209 1.00 75.24 C ATOM 524 C GLU A 30 8.395 -7.503 1.531 1.00 23.15 C ATOM 525 O GLU A 30 7.823 -7.526 2.621 1.00 23.34 O ATOM 526 CB GLU A 30 10.871 -7.845 1.417 1.00 43.50 C ATOM 527 CG GLU A 30 10.995 -6.476 0.769 1.00 51.22 C ATOM 528 CD GLU A 30 12.437 -6.038 0.601 1.00 11.21 C ATOM 529 OE1 GLU A 30 13.293 -6.499 1.385 1.00 54.11 O ATOM 530 OE2 GLU A 30 12.709 -5.234 -0.315 1.00 2.42 O ATOM 0 H GLU A 30 10.197 -8.816 -0.746 1.00 14.21 H new ATOM 0 HA GLU A 30 9.412 -9.351 1.884 1.00 75.24 H new ATOM 0 HB2 GLU A 30 11.060 -7.750 2.486 1.00 43.50 H new ATOM 0 HB3 GLU A 30 11.644 -8.500 1.014 1.00 43.50 H new ATOM 0 HG2 GLU A 30 10.509 -6.495 -0.206 1.00 51.22 H new ATOM 0 HG3 GLU A 30 10.465 -5.742 1.375 1.00 51.22 H new ATOM 537 N ARG A 31 8.098 -6.628 0.576 1.00 33.33 N ATOM 538 CA ARG A 31 7.059 -5.622 0.759 1.00 40.32 C ATOM 539 C ARG A 31 5.677 -6.267 0.793 1.00 53.01 C ATOM 540 O ARG A 31 4.688 -5.623 1.145 1.00 52.11 O ATOM 541 CB ARG A 31 7.122 -4.584 -0.364 1.00 33.15 C ATOM 542 CG ARG A 31 8.227 -3.556 -0.182 1.00 34.32 C ATOM 543 CD ARG A 31 8.105 -2.424 -1.189 1.00 41.32 C ATOM 544 NE ARG A 31 9.059 -1.350 -0.923 1.00 72.14 N ATOM 545 CZ ARG A 31 10.364 -1.455 -1.146 1.00 41.32 C ATOM 546 NH1 ARG A 31 10.868 -2.579 -1.637 1.00 3.44 N ATOM 547 NH2 ARG A 31 11.168 -0.433 -0.879 1.00 20.41 N ATOM 0 H ARG A 31 8.562 -6.595 -0.332 1.00 33.33 H new ATOM 0 HA ARG A 31 7.232 -5.126 1.714 1.00 40.32 H new ATOM 0 HB2 ARG A 31 7.268 -5.098 -1.314 1.00 33.15 H new ATOM 0 HB3 ARG A 31 6.164 -4.068 -0.425 1.00 33.15 H new ATOM 0 HG2 ARG A 31 8.186 -3.151 0.829 1.00 34.32 H new ATOM 0 HG3 ARG A 31 9.197 -4.040 -0.292 1.00 34.32 H new ATOM 0 HD2 ARG A 31 8.268 -2.813 -2.194 1.00 41.32 H new ATOM 0 HD3 ARG A 31 7.092 -2.023 -1.163 1.00 41.32 H new ATOM 0 HE ARG A 31 8.703 -0.472 -0.545 1.00 72.14 H new ATOM 0 HH11 ARG A 31 10.253 -3.366 -1.844 1.00 3.44 H new ATOM 0 HH12 ARG A 31 11.871 -2.657 -1.807 1.00 3.44 H new ATOM 0 HH21 ARG A 31 10.784 0.433 -0.502 1.00 20.41 H new ATOM 0 HH22 ARG A 31 12.170 -0.514 -1.050 1.00 20.41 H new ATOM 561 N HIS A 32 5.615 -7.543 0.424 1.00 4.43 N ATOM 562 CA HIS A 32 4.354 -8.275 0.413 1.00 63.43 C ATOM 563 C HIS A 32 4.167 -9.056 1.710 1.00 4.33 C ATOM 564 O HIS A 32 3.114 -9.650 1.943 1.00 21.42 O ATOM 565 CB HIS A 32 4.305 -9.229 -0.781 1.00 63.32 C ATOM 566 CG HIS A 32 3.814 -8.587 -2.042 1.00 11.53 C ATOM 567 ND1 HIS A 32 2.476 -8.435 -2.337 1.00 14.32 N ATOM 568 CD2 HIS A 32 4.491 -8.053 -3.086 1.00 33.34 C ATOM 569 CE1 HIS A 32 2.350 -7.838 -3.509 1.00 4.45 C ATOM 570 NE2 HIS A 32 3.559 -7.595 -3.984 1.00 14.12 N ATOM 0 H HIS A 32 6.423 -8.091 0.129 1.00 4.43 H new ATOM 0 HA HIS A 32 3.543 -7.552 0.325 1.00 63.43 H new ATOM 0 HB2 HIS A 32 5.302 -9.633 -0.954 1.00 63.32 H new ATOM 0 HB3 HIS A 32 3.658 -10.071 -0.536 1.00 63.32 H new ATOM 0 HD1 HIS A 32 1.704 -8.736 -1.743 1.00 14.32 H new ATOM 0 HD2 HIS A 32 5.564 -7.998 -3.192 1.00 33.34 H new ATOM 0 HE1 HIS A 32 1.418 -7.591 -3.996 1.00 4.45 H new ATOM 578 N LEU A 33 5.195 -9.050 2.552 1.00 64.04 N ATOM 579 CA LEU A 33 5.145 -9.758 3.826 1.00 21.01 C ATOM 580 C LEU A 33 5.160 -8.778 4.995 1.00 41.45 C ATOM 581 O LEU A 33 6.015 -7.895 5.066 1.00 10.13 O ATOM 582 CB LEU A 33 6.325 -10.725 3.942 1.00 74.12 C ATOM 583 CG LEU A 33 6.043 -12.044 4.662 1.00 71.32 C ATOM 584 CD1 LEU A 33 5.334 -13.018 3.733 1.00 23.44 C ATOM 585 CD2 LEU A 33 7.335 -12.651 5.189 1.00 42.15 C ATOM 0 H LEU A 33 6.073 -8.562 2.375 1.00 64.04 H new ATOM 0 HA LEU A 33 4.214 -10.324 3.862 1.00 21.01 H new ATOM 0 HB2 LEU A 33 6.683 -10.952 2.938 1.00 74.12 H new ATOM 0 HB3 LEU A 33 7.136 -10.216 4.463 1.00 74.12 H new ATOM 0 HG LEU A 33 5.389 -11.841 5.510 1.00 71.32 H new ATOM 0 HD11 LEU A 33 5.141 -13.951 4.262 1.00 23.44 H new ATOM 0 HD12 LEU A 33 4.389 -12.585 3.405 1.00 23.44 H new ATOM 0 HD13 LEU A 33 5.963 -13.216 2.865 1.00 23.44 H new ATOM 0 HD21 LEU A 33 7.115 -13.589 5.698 1.00 42.15 H new ATOM 0 HD22 LEU A 33 8.014 -12.840 4.357 1.00 42.15 H new ATOM 0 HD23 LEU A 33 7.803 -11.959 5.889 1.00 42.15 H new ATOM 597 N SER A 34 4.209 -8.940 5.909 1.00 25.52 N ATOM 598 CA SER A 34 4.112 -8.069 7.074 1.00 3.22 C ATOM 599 C SER A 34 5.460 -7.952 7.779 1.00 44.51 C ATOM 600 O SER A 34 6.369 -8.756 7.573 1.00 45.22 O ATOM 601 CB SER A 34 3.059 -8.600 8.049 1.00 62.14 C ATOM 602 OG SER A 34 3.663 -9.315 9.113 1.00 44.23 O ATOM 0 H SER A 34 3.495 -9.667 5.865 1.00 25.52 H new ATOM 0 HA SER A 34 3.813 -7.078 6.731 1.00 3.22 H new ATOM 0 HB2 SER A 34 2.478 -7.769 8.449 1.00 62.14 H new ATOM 0 HB3 SER A 34 2.363 -9.250 7.519 1.00 62.14 H new ATOM 0 HG SER A 34 2.969 -9.642 9.723 1.00 44.23 H new ATOM 608 N PRO A 35 5.594 -6.925 8.631 1.00 10.35 N ATOM 609 CA PRO A 35 6.827 -6.677 9.385 1.00 53.30 C ATOM 610 C PRO A 35 7.070 -7.729 10.461 1.00 21.40 C ATOM 611 O PRO A 35 8.191 -8.207 10.632 1.00 2.31 O ATOM 612 CB PRO A 35 6.583 -5.307 10.023 1.00 41.44 C ATOM 613 CG PRO A 35 5.101 -5.191 10.116 1.00 11.44 C ATOM 614 CD PRO A 35 4.552 -5.927 8.926 1.00 73.11 C ATOM 0 HA PRO A 35 7.710 -6.714 8.746 1.00 53.30 H new ATOM 0 HB2 PRO A 35 7.048 -5.240 11.007 1.00 41.44 H new ATOM 0 HB3 PRO A 35 7.005 -4.507 9.416 1.00 41.44 H new ATOM 0 HG2 PRO A 35 4.733 -5.624 11.046 1.00 11.44 H new ATOM 0 HG3 PRO A 35 4.790 -4.146 10.106 1.00 11.44 H new ATOM 0 HD2 PRO A 35 3.596 -6.399 9.152 1.00 73.11 H new ATOM 0 HD3 PRO A 35 4.386 -5.258 8.082 1.00 73.11 H new ATOM 622 N GLU A 36 6.012 -8.087 11.183 1.00 45.30 N ATOM 623 CA GLU A 36 6.113 -9.083 12.243 1.00 62.22 C ATOM 624 C GLU A 36 6.471 -10.452 11.670 1.00 11.24 C ATOM 625 O GLU A 36 7.197 -11.225 12.293 1.00 25.23 O ATOM 626 CB GLU A 36 4.797 -9.170 13.018 1.00 71.51 C ATOM 627 CG GLU A 36 4.664 -8.124 14.112 1.00 61.32 C ATOM 628 CD GLU A 36 3.466 -8.368 15.009 1.00 5.45 C ATOM 629 OE1 GLU A 36 3.619 -9.088 16.018 1.00 34.13 O ATOM 630 OE2 GLU A 36 2.378 -7.838 14.704 1.00 73.35 O ATOM 0 H GLU A 36 5.076 -7.702 11.053 1.00 45.30 H new ATOM 0 HA GLU A 36 6.907 -8.774 12.923 1.00 62.22 H new ATOM 0 HB2 GLU A 36 3.967 -9.061 12.320 1.00 71.51 H new ATOM 0 HB3 GLU A 36 4.712 -10.161 13.463 1.00 71.51 H new ATOM 0 HG2 GLU A 36 5.571 -8.119 14.717 1.00 61.32 H new ATOM 0 HG3 GLU A 36 4.578 -7.137 13.657 1.00 61.32 H new ATOM 637 N GLU A 37 5.954 -10.743 10.481 1.00 41.34 N ATOM 638 CA GLU A 37 6.218 -12.018 9.825 1.00 32.22 C ATOM 639 C GLU A 37 7.647 -12.072 9.294 1.00 44.42 C ATOM 640 O GLU A 37 8.317 -13.101 9.384 1.00 1.32 O ATOM 641 CB GLU A 37 5.228 -12.243 8.680 1.00 11.03 C ATOM 642 CG GLU A 37 4.180 -13.301 8.981 1.00 71.42 C ATOM 643 CD GLU A 37 4.790 -14.616 9.429 1.00 53.54 C ATOM 644 OE1 GLU A 37 5.171 -15.422 8.555 1.00 54.13 O ATOM 645 OE2 GLU A 37 4.886 -14.837 10.654 1.00 1.00 O ATOM 0 H GLU A 37 5.350 -10.113 9.952 1.00 41.34 H new ATOM 0 HA GLU A 37 6.094 -12.809 10.564 1.00 32.22 H new ATOM 0 HB2 GLU A 37 4.727 -11.302 8.454 1.00 11.03 H new ATOM 0 HB3 GLU A 37 5.779 -12.534 7.786 1.00 11.03 H new ATOM 0 HG2 GLU A 37 3.510 -12.932 9.758 1.00 71.42 H new ATOM 0 HG3 GLU A 37 3.574 -13.470 8.091 1.00 71.42 H new ATOM 652 N PHE A 38 8.108 -10.955 8.739 1.00 61.40 N ATOM 653 CA PHE A 38 9.457 -10.874 8.191 1.00 21.33 C ATOM 654 C PHE A 38 10.501 -11.094 9.282 1.00 22.21 C ATOM 655 O PHE A 38 11.476 -11.819 9.085 1.00 72.21 O ATOM 656 CB PHE A 38 9.679 -9.515 7.524 1.00 73.40 C ATOM 657 CG PHE A 38 10.456 -9.597 6.241 1.00 12.13 C ATOM 658 CD1 PHE A 38 9.907 -10.198 5.120 1.00 32.22 C ATOM 659 CD2 PHE A 38 11.736 -9.073 6.157 1.00 53.22 C ATOM 660 CE1 PHE A 38 10.619 -10.275 3.938 1.00 1.31 C ATOM 661 CE2 PHE A 38 12.452 -9.146 4.977 1.00 5.14 C ATOM 662 CZ PHE A 38 11.894 -9.749 3.867 1.00 1.41 C ATOM 0 H PHE A 38 7.567 -10.094 8.657 1.00 61.40 H new ATOM 0 HA PHE A 38 9.566 -11.660 7.444 1.00 21.33 H new ATOM 0 HB2 PHE A 38 8.711 -9.055 7.325 1.00 73.40 H new ATOM 0 HB3 PHE A 38 10.207 -8.860 8.218 1.00 73.40 H new ATOM 0 HD1 PHE A 38 8.911 -10.611 5.170 1.00 32.22 H new ATOM 0 HD2 PHE A 38 12.179 -8.603 7.023 1.00 53.22 H new ATOM 0 HE1 PHE A 38 10.179 -10.746 3.071 1.00 1.31 H new ATOM 0 HE2 PHE A 38 13.448 -8.731 4.923 1.00 5.14 H new ATOM 0 HZ PHE A 38 12.454 -9.809 2.945 1.00 1.41 H new ATOM 672 N GLN A 39 10.289 -10.462 10.432 1.00 71.21 N ATOM 673 CA GLN A 39 11.212 -10.587 11.554 1.00 60.53 C ATOM 674 C GLN A 39 11.022 -11.921 12.269 1.00 72.01 C ATOM 675 O GLN A 39 11.930 -12.411 12.939 1.00 70.10 O ATOM 676 CB GLN A 39 11.011 -9.434 12.538 1.00 21.11 C ATOM 677 CG GLN A 39 9.637 -9.422 13.189 1.00 42.34 C ATOM 678 CD GLN A 39 9.546 -10.358 14.377 1.00 12.04 C ATOM 679 OE1 GLN A 39 10.561 -10.738 14.962 1.00 35.32 O ATOM 680 NE2 GLN A 39 8.326 -10.735 14.742 1.00 71.22 N ATOM 0 H GLN A 39 9.486 -9.858 10.611 1.00 71.21 H new ATOM 0 HA GLN A 39 12.228 -10.547 11.162 1.00 60.53 H new ATOM 0 HB2 GLN A 39 11.772 -9.495 13.316 1.00 21.11 H new ATOM 0 HB3 GLN A 39 11.164 -8.490 12.015 1.00 21.11 H new ATOM 0 HG2 GLN A 39 9.401 -8.408 13.511 1.00 42.34 H new ATOM 0 HG3 GLN A 39 8.887 -9.705 12.450 1.00 42.34 H new ATOM 0 HE21 GLN A 39 7.512 -10.396 14.229 1.00 71.22 H new ATOM 0 HE22 GLN A 39 8.203 -11.364 15.536 1.00 71.22 H new ATOM 689 N GLU A 40 9.835 -12.502 12.121 1.00 22.14 N ATOM 690 CA GLU A 40 9.527 -13.779 12.755 1.00 14.30 C ATOM 691 C GLU A 40 10.028 -14.943 11.906 1.00 42.04 C ATOM 692 O GLU A 40 10.424 -15.984 12.431 1.00 42.34 O ATOM 693 CB GLU A 40 8.019 -13.910 12.981 1.00 71.04 C ATOM 694 CG GLU A 40 7.612 -15.226 13.622 1.00 52.01 C ATOM 695 CD GLU A 40 8.089 -15.348 15.056 1.00 32.21 C ATOM 696 OE1 GLU A 40 7.531 -14.649 15.928 1.00 43.33 O ATOM 697 OE2 GLU A 40 9.019 -16.142 15.307 1.00 61.41 O ATOM 0 H GLU A 40 9.072 -12.110 11.569 1.00 22.14 H new ATOM 0 HA GLU A 40 10.036 -13.810 13.718 1.00 14.30 H new ATOM 0 HB2 GLU A 40 7.682 -13.088 13.613 1.00 71.04 H new ATOM 0 HB3 GLU A 40 7.506 -13.808 12.024 1.00 71.04 H new ATOM 0 HG2 GLU A 40 6.526 -15.319 13.595 1.00 52.01 H new ATOM 0 HG3 GLU A 40 8.017 -16.052 13.037 1.00 52.01 H new ATOM 704 N VAL A 41 10.008 -14.759 10.589 1.00 34.52 N ATOM 705 CA VAL A 41 10.460 -15.793 9.666 1.00 23.20 C ATOM 706 C VAL A 41 11.969 -15.721 9.457 1.00 53.33 C ATOM 707 O VAL A 41 12.602 -16.707 9.081 1.00 23.32 O ATOM 708 CB VAL A 41 9.757 -15.674 8.301 1.00 42.51 C ATOM 709 CG1 VAL A 41 8.251 -15.810 8.462 1.00 11.21 C ATOM 710 CG2 VAL A 41 10.113 -14.354 7.633 1.00 70.13 C ATOM 0 H VAL A 41 9.684 -13.904 10.138 1.00 34.52 H new ATOM 0 HA VAL A 41 10.203 -16.752 10.115 1.00 23.20 H new ATOM 0 HB VAL A 41 10.104 -16.485 7.661 1.00 42.51 H new ATOM 0 HG11 VAL A 41 7.772 -15.723 7.487 1.00 11.21 H new ATOM 0 HG12 VAL A 41 8.018 -16.782 8.896 1.00 11.21 H new ATOM 0 HG13 VAL A 41 7.883 -15.022 9.119 1.00 11.21 H new ATOM 0 HG21 VAL A 41 9.608 -14.286 6.669 1.00 70.13 H new ATOM 0 HG22 VAL A 41 9.795 -13.527 8.268 1.00 70.13 H new ATOM 0 HG23 VAL A 41 11.191 -14.302 7.482 1.00 70.13 H new ATOM 720 N PHE A 42 12.539 -14.546 9.702 1.00 12.34 N ATOM 721 CA PHE A 42 13.974 -14.344 9.540 1.00 12.54 C ATOM 722 C PHE A 42 14.717 -14.660 10.835 1.00 62.32 C ATOM 723 O PHE A 42 15.735 -15.352 10.826 1.00 54.10 O ATOM 724 CB PHE A 42 14.262 -12.903 9.113 1.00 63.13 C ATOM 725 CG PHE A 42 14.100 -12.672 7.638 1.00 51.24 C ATOM 726 CD1 PHE A 42 13.150 -13.373 6.913 1.00 34.34 C ATOM 727 CD2 PHE A 42 14.898 -11.753 6.975 1.00 20.10 C ATOM 728 CE1 PHE A 42 12.997 -13.163 5.556 1.00 43.42 C ATOM 729 CE2 PHE A 42 14.750 -11.538 5.618 1.00 50.11 C ATOM 730 CZ PHE A 42 13.799 -12.244 4.907 1.00 24.41 C ATOM 0 H PHE A 42 12.029 -13.719 10.013 1.00 12.34 H new ATOM 0 HA PHE A 42 14.326 -15.024 8.764 1.00 12.54 H new ATOM 0 HB2 PHE A 42 13.594 -12.232 9.653 1.00 63.13 H new ATOM 0 HB3 PHE A 42 15.280 -12.643 9.404 1.00 63.13 H new ATOM 0 HD1 PHE A 42 12.521 -14.093 7.415 1.00 34.34 H new ATOM 0 HD2 PHE A 42 15.644 -11.199 7.525 1.00 20.10 H new ATOM 0 HE1 PHE A 42 12.252 -13.716 5.004 1.00 43.42 H new ATOM 0 HE2 PHE A 42 15.378 -10.818 5.113 1.00 50.11 H new ATOM 0 HZ PHE A 42 13.683 -12.078 3.846 1.00 24.41 H new ATOM 740 N GLY A 43 14.201 -14.148 11.948 1.00 53.33 N ATOM 741 CA GLY A 43 14.828 -14.386 13.235 1.00 52.54 C ATOM 742 C GLY A 43 15.208 -13.099 13.941 1.00 64.33 C ATOM 743 O GLY A 43 15.040 -12.976 15.154 1.00 70.25 O ATOM 0 H GLY A 43 13.360 -13.572 11.981 1.00 53.33 H new ATOM 0 HA2 GLY A 43 14.148 -14.957 13.867 1.00 52.54 H new ATOM 0 HA3 GLY A 43 15.720 -14.997 13.094 1.00 52.54 H new ATOM 747 N MET A 44 15.725 -12.139 13.180 1.00 35.25 N ATOM 748 CA MET A 44 16.131 -10.856 13.742 1.00 54.13 C ATOM 749 C MET A 44 14.927 -9.937 13.924 1.00 51.35 C ATOM 750 O MET A 44 13.782 -10.358 13.761 1.00 71.41 O ATOM 751 CB MET A 44 17.167 -10.185 12.838 1.00 24.25 C ATOM 752 CG MET A 44 16.774 -10.168 11.370 1.00 12.23 C ATOM 753 SD MET A 44 17.582 -11.469 10.419 1.00 33.22 S ATOM 754 CE MET A 44 18.427 -10.502 9.171 1.00 55.40 C ATOM 0 H MET A 44 15.872 -12.225 12.174 1.00 35.25 H new ATOM 0 HA MET A 44 16.576 -11.040 14.720 1.00 54.13 H new ATOM 0 HB2 MET A 44 17.322 -9.160 13.176 1.00 24.25 H new ATOM 0 HB3 MET A 44 18.120 -10.704 12.944 1.00 24.25 H new ATOM 0 HG2 MET A 44 15.693 -10.280 11.286 1.00 12.23 H new ATOM 0 HG3 MET A 44 17.028 -9.199 10.941 1.00 12.23 H new ATOM 0 HE1 MET A 44 19.416 -10.923 8.992 1.00 55.40 H new ATOM 0 HE2 MET A 44 17.852 -10.521 8.245 1.00 55.40 H new ATOM 0 HE3 MET A 44 18.528 -9.473 9.515 1.00 55.40 H new ATOM 764 N SER A 45 15.194 -8.679 14.262 1.00 72.31 N ATOM 765 CA SER A 45 14.132 -7.702 14.470 1.00 51.22 C ATOM 766 C SER A 45 13.841 -6.934 13.184 1.00 4.41 C ATOM 767 O SER A 45 14.731 -6.726 12.358 1.00 14.10 O ATOM 768 CB SER A 45 14.518 -6.727 15.584 1.00 42.13 C ATOM 769 OG SER A 45 14.808 -5.443 15.060 1.00 51.55 O ATOM 0 H SER A 45 16.136 -8.313 14.397 1.00 72.31 H new ATOM 0 HA SER A 45 13.230 -8.239 14.764 1.00 51.22 H new ATOM 0 HB2 SER A 45 13.704 -6.654 16.305 1.00 42.13 H new ATOM 0 HB3 SER A 45 15.386 -7.109 16.121 1.00 42.13 H new ATOM 0 HG SER A 45 15.050 -4.838 15.792 1.00 51.55 H new ATOM 775 N ILE A 46 12.591 -6.514 13.023 1.00 71.54 N ATOM 776 CA ILE A 46 12.183 -5.768 11.839 1.00 73.52 C ATOM 777 C ILE A 46 13.058 -4.536 11.637 1.00 54.11 C ATOM 778 O ILE A 46 13.290 -4.106 10.508 1.00 73.35 O ATOM 779 CB ILE A 46 10.709 -5.329 11.931 1.00 44.14 C ATOM 780 CG1 ILE A 46 10.148 -5.055 10.534 1.00 62.22 C ATOM 781 CG2 ILE A 46 10.579 -4.095 12.811 1.00 33.21 C ATOM 782 CD1 ILE A 46 10.333 -3.625 10.078 1.00 13.42 C ATOM 0 H ILE A 46 11.843 -6.677 13.697 1.00 71.54 H new ATOM 0 HA ILE A 46 12.301 -6.438 10.987 1.00 73.52 H new ATOM 0 HB ILE A 46 10.132 -6.136 12.382 1.00 44.14 H new ATOM 0 HG12 ILE A 46 10.632 -5.721 9.820 1.00 62.22 H new ATOM 0 HG13 ILE A 46 9.085 -5.296 10.525 1.00 62.22 H new ATOM 0 HG21 ILE A 46 9.532 -3.796 12.867 1.00 33.21 H new ATOM 0 HG22 ILE A 46 10.945 -4.322 13.812 1.00 33.21 H new ATOM 0 HG23 ILE A 46 11.166 -3.281 12.386 1.00 33.21 H new ATOM 0 HD11 ILE A 46 9.912 -3.504 9.080 1.00 13.42 H new ATOM 0 HD12 ILE A 46 9.825 -2.954 10.770 1.00 13.42 H new ATOM 0 HD13 ILE A 46 11.396 -3.385 10.055 1.00 13.42 H new ATOM 794 N GLU A 47 13.541 -3.973 12.740 1.00 64.21 N ATOM 795 CA GLU A 47 14.392 -2.790 12.683 1.00 21.21 C ATOM 796 C GLU A 47 15.701 -3.095 11.960 1.00 73.42 C ATOM 797 O GLU A 47 16.214 -2.267 11.209 1.00 2.53 O ATOM 798 CB GLU A 47 14.684 -2.277 14.095 1.00 44.35 C ATOM 799 CG GLU A 47 13.457 -2.221 14.988 1.00 31.24 C ATOM 800 CD GLU A 47 13.670 -1.361 16.219 1.00 54.54 C ATOM 801 OE1 GLU A 47 14.830 -1.232 16.660 1.00 25.01 O ATOM 802 OE2 GLU A 47 12.674 -0.815 16.740 1.00 61.15 O ATOM 0 H GLU A 47 13.358 -4.316 13.683 1.00 64.21 H new ATOM 0 HA GLU A 47 13.861 -2.018 12.126 1.00 21.21 H new ATOM 0 HB2 GLU A 47 15.431 -2.921 14.559 1.00 44.35 H new ATOM 0 HB3 GLU A 47 15.120 -1.280 14.027 1.00 44.35 H new ATOM 0 HG2 GLU A 47 12.615 -1.830 14.417 1.00 31.24 H new ATOM 0 HG3 GLU A 47 13.191 -3.232 15.297 1.00 31.24 H new ATOM 809 N GLU A 48 16.234 -4.291 12.193 1.00 41.42 N ATOM 810 CA GLU A 48 17.483 -4.704 11.565 1.00 63.43 C ATOM 811 C GLU A 48 17.377 -4.633 10.044 1.00 24.20 C ATOM 812 O GLU A 48 18.296 -4.171 9.368 1.00 43.15 O ATOM 813 CB GLU A 48 17.850 -6.126 11.995 1.00 30.23 C ATOM 814 CG GLU A 48 19.331 -6.439 11.865 1.00 2.43 C ATOM 815 CD GLU A 48 20.160 -5.804 12.965 1.00 20.23 C ATOM 816 OE1 GLU A 48 19.645 -4.890 13.643 1.00 61.11 O ATOM 817 OE2 GLU A 48 21.323 -6.221 13.148 1.00 34.15 O ATOM 0 H GLU A 48 15.821 -4.989 12.811 1.00 41.42 H new ATOM 0 HA GLU A 48 18.267 -4.020 11.890 1.00 63.43 H new ATOM 0 HB2 GLU A 48 17.546 -6.273 13.031 1.00 30.23 H new ATOM 0 HB3 GLU A 48 17.283 -6.836 11.393 1.00 30.23 H new ATOM 0 HG2 GLU A 48 19.473 -7.519 11.886 1.00 2.43 H new ATOM 0 HG3 GLU A 48 19.689 -6.089 10.897 1.00 2.43 H new ATOM 824 N PHE A 49 16.250 -5.095 9.513 1.00 1.01 N ATOM 825 CA PHE A 49 16.023 -5.086 8.073 1.00 45.44 C ATOM 826 C PHE A 49 16.143 -3.671 7.512 1.00 31.34 C ATOM 827 O PHE A 49 16.927 -3.419 6.597 1.00 13.32 O ATOM 828 CB PHE A 49 14.643 -5.660 7.748 1.00 12.13 C ATOM 829 CG PHE A 49 14.391 -7.003 8.371 1.00 61.41 C ATOM 830 CD1 PHE A 49 15.386 -7.967 8.397 1.00 62.11 C ATOM 831 CD2 PHE A 49 13.159 -7.303 8.930 1.00 40.24 C ATOM 832 CE1 PHE A 49 15.158 -9.204 8.969 1.00 21.33 C ATOM 833 CE2 PHE A 49 12.925 -8.538 9.504 1.00 62.02 C ATOM 834 CZ PHE A 49 13.925 -9.490 9.523 1.00 64.44 C ATOM 0 H PHE A 49 15.479 -5.481 10.059 1.00 1.01 H new ATOM 0 HA PHE A 49 16.786 -5.709 7.607 1.00 45.44 H new ATOM 0 HB2 PHE A 49 13.878 -4.961 8.088 1.00 12.13 H new ATOM 0 HB3 PHE A 49 14.539 -5.745 6.666 1.00 12.13 H new ATOM 0 HD1 PHE A 49 16.351 -7.749 7.965 1.00 62.11 H new ATOM 0 HD2 PHE A 49 12.373 -6.563 8.917 1.00 40.24 H new ATOM 0 HE1 PHE A 49 15.942 -9.946 8.983 1.00 21.33 H new ATOM 0 HE2 PHE A 49 11.961 -8.758 9.937 1.00 62.02 H new ATOM 0 HZ PHE A 49 13.744 -10.456 9.970 1.00 64.44 H new ATOM 844 N ASP A 50 15.360 -2.753 8.068 1.00 34.51 N ATOM 845 CA ASP A 50 15.377 -1.364 7.625 1.00 32.13 C ATOM 846 C ASP A 50 16.785 -0.784 7.709 1.00 24.44 C ATOM 847 O ASP A 50 17.200 -0.009 6.848 1.00 4.32 O ATOM 848 CB ASP A 50 14.416 -0.526 8.469 1.00 14.43 C ATOM 849 CG ASP A 50 14.498 0.953 8.144 1.00 62.22 C ATOM 850 OD1 ASP A 50 14.739 1.288 6.965 1.00 25.25 O ATOM 851 OD2 ASP A 50 14.322 1.775 9.068 1.00 65.23 O ATOM 0 H ASP A 50 14.706 -2.946 8.826 1.00 34.51 H new ATOM 0 HA ASP A 50 15.054 -1.336 6.584 1.00 32.13 H new ATOM 0 HB2 ASP A 50 13.396 -0.875 8.307 1.00 14.43 H new ATOM 0 HB3 ASP A 50 14.640 -0.676 9.525 1.00 14.43 H new ATOM 856 N ARG A 51 17.515 -1.165 8.753 1.00 62.33 N ATOM 857 CA ARG A 51 18.876 -0.681 8.950 1.00 22.55 C ATOM 858 C ARG A 51 19.836 -1.338 7.962 1.00 33.44 C ATOM 859 O ARG A 51 20.867 -0.766 7.608 1.00 23.13 O ATOM 860 CB ARG A 51 19.335 -0.957 10.384 1.00 61.35 C ATOM 861 CG ARG A 51 19.082 0.199 11.337 1.00 32.23 C ATOM 862 CD ARG A 51 17.767 0.028 12.083 1.00 44.33 C ATOM 863 NE ARG A 51 17.645 0.963 13.198 1.00 43.52 N ATOM 864 CZ ARG A 51 17.362 2.253 13.048 1.00 23.30 C ATOM 865 NH1 ARG A 51 17.173 2.757 11.836 1.00 32.25 N ATOM 866 NH2 ARG A 51 17.268 3.040 14.112 1.00 52.43 N ATOM 0 H ARG A 51 17.187 -1.807 9.475 1.00 62.33 H new ATOM 0 HA ARG A 51 18.881 0.395 8.774 1.00 22.55 H new ATOM 0 HB2 ARG A 51 18.821 -1.843 10.757 1.00 61.35 H new ATOM 0 HB3 ARG A 51 20.401 -1.185 10.378 1.00 61.35 H new ATOM 0 HG2 ARG A 51 19.901 0.268 12.053 1.00 32.23 H new ATOM 0 HG3 ARG A 51 19.066 1.135 10.779 1.00 32.23 H new ATOM 0 HD2 ARG A 51 16.937 0.177 11.393 1.00 44.33 H new ATOM 0 HD3 ARG A 51 17.692 -0.993 12.456 1.00 44.33 H new ATOM 0 HE ARG A 51 17.785 0.607 14.144 1.00 43.52 H new ATOM 0 HH11 ARG A 51 17.245 2.154 11.016 1.00 32.25 H new ATOM 0 HH12 ARG A 51 16.956 3.747 11.724 1.00 32.25 H new ATOM 0 HH21 ARG A 51 17.413 2.655 15.045 1.00 52.43 H new ATOM 0 HH22 ARG A 51 17.051 4.030 13.997 1.00 52.43 H new ATOM 880 N LEU A 52 19.489 -2.543 7.521 1.00 4.34 N ATOM 881 CA LEU A 52 20.320 -3.279 6.574 1.00 12.43 C ATOM 882 C LEU A 52 20.123 -2.755 5.155 1.00 14.45 C ATOM 883 O LEU A 52 19.265 -1.907 4.910 1.00 41.20 O ATOM 884 CB LEU A 52 19.990 -4.771 6.629 1.00 22.33 C ATOM 885 CG LEU A 52 20.547 -5.538 7.829 1.00 2.14 C ATOM 886 CD1 LEU A 52 19.871 -6.894 7.957 1.00 61.20 C ATOM 887 CD2 LEU A 52 22.055 -5.701 7.705 1.00 60.23 C ATOM 0 H LEU A 52 18.639 -3.030 7.804 1.00 4.34 H new ATOM 0 HA LEU A 52 21.363 -3.133 6.854 1.00 12.43 H new ATOM 0 HB2 LEU A 52 18.906 -4.883 6.623 1.00 22.33 H new ATOM 0 HB3 LEU A 52 20.364 -5.239 5.719 1.00 22.33 H new ATOM 0 HG LEU A 52 20.337 -4.964 8.732 1.00 2.14 H new ATOM 0 HD11 LEU A 52 20.280 -7.425 8.816 1.00 61.20 H new ATOM 0 HD12 LEU A 52 18.799 -6.754 8.094 1.00 61.20 H new ATOM 0 HD13 LEU A 52 20.049 -7.476 7.053 1.00 61.20 H new ATOM 0 HD21 LEU A 52 22.434 -6.249 8.568 1.00 60.23 H new ATOM 0 HD22 LEU A 52 22.288 -6.252 6.794 1.00 60.23 H new ATOM 0 HD23 LEU A 52 22.525 -4.718 7.664 1.00 60.23 H new ATOM 899 N ALA A 53 20.921 -3.267 4.225 1.00 50.23 N ATOM 900 CA ALA A 53 20.831 -2.854 2.830 1.00 42.23 C ATOM 901 C ALA A 53 19.996 -3.838 2.018 1.00 31.33 C ATOM 902 O ALA A 53 19.601 -4.893 2.518 1.00 44.11 O ATOM 903 CB ALA A 53 22.223 -2.718 2.229 1.00 75.52 C ATOM 0 H ALA A 53 21.637 -3.969 4.412 1.00 50.23 H new ATOM 0 HA ALA A 53 20.336 -1.884 2.796 1.00 42.23 H new ATOM 0 HB1 ALA A 53 22.141 -2.409 1.187 1.00 75.52 H new ATOM 0 HB2 ALA A 53 22.788 -1.970 2.786 1.00 75.52 H new ATOM 0 HB3 ALA A 53 22.738 -3.677 2.284 1.00 75.52 H new ATOM 909 N LEU A 54 19.729 -3.488 0.765 1.00 11.21 N ATOM 910 CA LEU A 54 18.939 -4.341 -0.116 1.00 41.12 C ATOM 911 C LEU A 54 19.597 -5.707 -0.285 1.00 50.31 C ATOM 912 O LEU A 54 18.981 -6.740 -0.022 1.00 4.32 O ATOM 913 CB LEU A 54 18.764 -3.674 -1.482 1.00 22.13 C ATOM 914 CG LEU A 54 17.426 -3.917 -2.181 1.00 22.11 C ATOM 915 CD1 LEU A 54 17.597 -3.868 -3.691 1.00 54.23 C ATOM 916 CD2 LEU A 54 16.835 -5.252 -1.752 1.00 63.44 C ATOM 0 H LEU A 54 20.048 -2.619 0.336 1.00 11.21 H new ATOM 0 HA LEU A 54 17.959 -4.484 0.340 1.00 41.12 H new ATOM 0 HB2 LEU A 54 18.897 -2.599 -1.359 1.00 22.13 H new ATOM 0 HB3 LEU A 54 19.562 -4.021 -2.138 1.00 22.13 H new ATOM 0 HG LEU A 54 16.735 -3.126 -1.888 1.00 22.11 H new ATOM 0 HD11 LEU A 54 16.635 -4.043 -4.172 1.00 54.23 H new ATOM 0 HD12 LEU A 54 17.976 -2.888 -3.983 1.00 54.23 H new ATOM 0 HD13 LEU A 54 18.303 -4.637 -4.002 1.00 54.23 H new ATOM 0 HD21 LEU A 54 15.883 -5.408 -2.259 1.00 63.44 H new ATOM 0 HD22 LEU A 54 17.523 -6.056 -2.015 1.00 63.44 H new ATOM 0 HD23 LEU A 54 16.675 -5.250 -0.674 1.00 63.44 H new ATOM 928 N TRP A 55 20.851 -5.703 -0.723 1.00 74.33 N ATOM 929 CA TRP A 55 21.593 -6.942 -0.925 1.00 71.50 C ATOM 930 C TRP A 55 21.373 -7.904 0.237 1.00 33.24 C ATOM 931 O TRP A 55 21.223 -9.110 0.039 1.00 30.10 O ATOM 932 CB TRP A 55 23.085 -6.647 -1.083 1.00 63.11 C ATOM 933 CG TRP A 55 23.742 -6.206 0.190 1.00 14.01 C ATOM 934 CD1 TRP A 55 23.884 -4.923 0.637 1.00 65.41 C ATOM 935 CD2 TRP A 55 24.345 -7.047 1.179 1.00 24.00 C ATOM 936 NE1 TRP A 55 24.541 -4.916 1.844 1.00 32.41 N ATOM 937 CE2 TRP A 55 24.834 -6.207 2.199 1.00 54.32 C ATOM 938 CE3 TRP A 55 24.519 -8.428 1.304 1.00 44.05 C ATOM 939 CZ2 TRP A 55 25.484 -6.704 3.325 1.00 41.11 C ATOM 940 CZ3 TRP A 55 25.166 -8.920 2.422 1.00 55.24 C ATOM 941 CH2 TRP A 55 25.641 -8.060 3.421 1.00 52.13 C ATOM 0 H TRP A 55 21.375 -4.856 -0.945 1.00 74.33 H new ATOM 0 HA TRP A 55 21.224 -7.412 -1.836 1.00 71.50 H new ATOM 0 HB2 TRP A 55 23.588 -7.541 -1.452 1.00 63.11 H new ATOM 0 HB3 TRP A 55 23.217 -5.873 -1.839 1.00 63.11 H new ATOM 0 HD1 TRP A 55 23.532 -4.044 0.118 1.00 65.41 H new ATOM 0 HE1 TRP A 55 24.773 -4.085 2.388 1.00 32.41 H new ATOM 0 HE3 TRP A 55 24.154 -9.099 0.540 1.00 44.05 H new ATOM 0 HZ2 TRP A 55 25.851 -6.043 4.096 1.00 41.11 H new ATOM 0 HZ3 TRP A 55 25.308 -9.985 2.527 1.00 55.24 H new ATOM 0 HH2 TRP A 55 26.141 -8.475 4.284 1.00 52.13 H new ATOM 952 N LYS A 56 21.354 -7.364 1.451 1.00 32.12 N ATOM 953 CA LYS A 56 21.150 -8.174 2.646 1.00 3.15 C ATOM 954 C LYS A 56 19.717 -8.690 2.716 1.00 15.25 C ATOM 955 O LYS A 56 19.485 -9.880 2.929 1.00 30.13 O ATOM 956 CB LYS A 56 21.472 -7.358 3.901 1.00 71.41 C ATOM 957 CG LYS A 56 21.615 -8.203 5.155 1.00 5.01 C ATOM 958 CD LYS A 56 23.004 -8.810 5.263 1.00 62.13 C ATOM 959 CE LYS A 56 23.200 -9.522 6.593 1.00 51.24 C ATOM 960 NZ LYS A 56 24.609 -9.434 7.067 1.00 52.13 N ATOM 0 H LYS A 56 21.478 -6.368 1.633 1.00 32.12 H new ATOM 0 HA LYS A 56 21.823 -9.030 2.594 1.00 3.15 H new ATOM 0 HB2 LYS A 56 22.397 -6.806 3.738 1.00 71.41 H new ATOM 0 HB3 LYS A 56 20.684 -6.621 4.057 1.00 71.41 H new ATOM 0 HG2 LYS A 56 21.416 -7.589 6.033 1.00 5.01 H new ATOM 0 HG3 LYS A 56 20.869 -8.998 5.146 1.00 5.01 H new ATOM 0 HD2 LYS A 56 23.159 -9.515 4.446 1.00 62.13 H new ATOM 0 HD3 LYS A 56 23.754 -8.026 5.155 1.00 62.13 H new ATOM 0 HE2 LYS A 56 22.538 -9.085 7.340 1.00 51.24 H new ATOM 0 HE3 LYS A 56 22.916 -10.569 6.489 1.00 51.24 H new ATOM 0 HZ1 LYS A 56 24.701 -9.931 7.976 1.00 52.13 H new ATOM 0 HZ2 LYS A 56 25.239 -9.874 6.366 1.00 52.13 H new ATOM 0 HZ3 LYS A 56 24.872 -8.435 7.190 1.00 52.13 H new ATOM 974 N ARG A 57 18.758 -7.787 2.535 1.00 61.23 N ATOM 975 CA ARG A 57 17.347 -8.152 2.577 1.00 2.11 C ATOM 976 C ARG A 57 17.042 -9.261 1.574 1.00 11.32 C ATOM 977 O ARG A 57 16.251 -10.161 1.851 1.00 15.22 O ATOM 978 CB ARG A 57 16.474 -6.930 2.285 1.00 72.51 C ATOM 979 CG ARG A 57 16.892 -5.686 3.050 1.00 41.51 C ATOM 980 CD ARG A 57 15.743 -5.124 3.872 1.00 34.53 C ATOM 981 NE ARG A 57 14.630 -4.688 3.032 1.00 24.42 N ATOM 982 CZ ARG A 57 14.593 -3.513 2.414 1.00 63.54 C ATOM 983 NH1 ARG A 57 15.602 -2.662 2.540 1.00 54.10 N ATOM 984 NH2 ARG A 57 13.546 -3.189 1.666 1.00 1.42 N ATOM 0 H ARG A 57 18.933 -6.798 2.358 1.00 61.23 H new ATOM 0 HA ARG A 57 17.122 -8.520 3.578 1.00 2.11 H new ATOM 0 HB2 ARG A 57 16.507 -6.717 1.216 1.00 72.51 H new ATOM 0 HB3 ARG A 57 15.439 -7.167 2.531 1.00 72.51 H new ATOM 0 HG2 ARG A 57 17.728 -5.926 3.707 1.00 41.51 H new ATOM 0 HG3 ARG A 57 17.244 -4.928 2.350 1.00 41.51 H new ATOM 0 HD2 ARG A 57 15.393 -5.883 4.572 1.00 34.53 H new ATOM 0 HD3 ARG A 57 16.100 -4.283 4.466 1.00 34.53 H new ATOM 0 HE ARG A 57 13.838 -5.320 2.914 1.00 24.42 H new ATOM 0 HH11 ARG A 57 16.409 -2.909 3.113 1.00 54.10 H new ATOM 0 HH12 ARG A 57 15.571 -1.760 2.064 1.00 54.10 H new ATOM 0 HH21 ARG A 57 12.769 -3.842 1.566 1.00 1.42 H new ATOM 0 HH22 ARG A 57 13.518 -2.287 1.192 1.00 1.42 H new ATOM 998 N ASN A 58 17.675 -9.187 0.408 1.00 61.41 N ATOM 999 CA ASN A 58 17.470 -10.184 -0.637 1.00 23.11 C ATOM 1000 C ASN A 58 18.025 -11.540 -0.211 1.00 72.23 C ATOM 1001 O ASN A 58 17.328 -12.553 -0.270 1.00 31.43 O ATOM 1002 CB ASN A 58 18.137 -9.734 -1.938 1.00 41.52 C ATOM 1003 CG ASN A 58 17.226 -8.866 -2.785 1.00 13.25 C ATOM 1004 OD1 ASN A 58 16.036 -9.149 -2.927 1.00 22.54 O ATOM 1005 ND2 ASN A 58 17.782 -7.802 -3.352 1.00 14.52 N ATOM 0 H ASN A 58 18.334 -8.448 0.163 1.00 61.41 H new ATOM 0 HA ASN A 58 16.397 -10.285 -0.802 1.00 23.11 H new ATOM 0 HB2 ASN A 58 19.047 -9.181 -1.704 1.00 41.52 H new ATOM 0 HB3 ASN A 58 18.436 -10.611 -2.512 1.00 41.52 H new ATOM 0 HD21 ASN A 58 17.219 -7.181 -3.933 1.00 14.52 H new ATOM 0 HD22 ASN A 58 18.772 -7.606 -3.207 1.00 14.52 H new ATOM 1012 N ASP A 59 19.282 -11.551 0.217 1.00 2.21 N ATOM 1013 CA ASP A 59 19.931 -12.782 0.655 1.00 55.34 C ATOM 1014 C ASP A 59 19.110 -13.472 1.740 1.00 43.21 C ATOM 1015 O ASP A 59 18.789 -14.656 1.632 1.00 52.05 O ATOM 1016 CB ASP A 59 21.339 -12.485 1.173 1.00 34.20 C ATOM 1017 CG ASP A 59 22.096 -13.745 1.544 1.00 42.12 C ATOM 1018 OD1 ASP A 59 22.710 -14.356 0.643 1.00 15.43 O ATOM 1019 OD2 ASP A 59 22.077 -14.120 2.735 1.00 55.33 O ATOM 0 H ASP A 59 19.873 -10.721 0.270 1.00 2.21 H new ATOM 0 HA ASP A 59 20.002 -13.452 -0.202 1.00 55.34 H new ATOM 0 HB2 ASP A 59 21.896 -11.941 0.411 1.00 34.20 H new ATOM 0 HB3 ASP A 59 21.273 -11.834 2.045 1.00 34.20 H new ATOM 1024 N LEU A 60 18.776 -12.725 2.786 1.00 14.21 N ATOM 1025 CA LEU A 60 17.993 -13.265 3.893 1.00 43.22 C ATOM 1026 C LEU A 60 16.661 -13.819 3.398 1.00 11.15 C ATOM 1027 O LEU A 60 16.188 -14.849 3.879 1.00 14.21 O ATOM 1028 CB LEU A 60 17.749 -12.183 4.946 1.00 3.13 C ATOM 1029 CG LEU A 60 18.997 -11.500 5.509 1.00 74.23 C ATOM 1030 CD1 LEU A 60 18.685 -10.067 5.912 1.00 32.54 C ATOM 1031 CD2 LEU A 60 19.545 -12.283 6.693 1.00 14.32 C ATOM 0 H LEU A 60 19.035 -11.744 2.891 1.00 14.21 H new ATOM 0 HA LEU A 60 18.560 -14.080 4.343 1.00 43.22 H new ATOM 0 HB2 LEU A 60 17.106 -11.418 4.510 1.00 3.13 H new ATOM 0 HB3 LEU A 60 17.198 -12.628 5.774 1.00 3.13 H new ATOM 0 HG LEU A 60 19.759 -11.478 4.730 1.00 74.23 H new ATOM 0 HD11 LEU A 60 19.584 -9.597 6.310 1.00 32.54 H new ATOM 0 HD12 LEU A 60 18.340 -9.511 5.040 1.00 32.54 H new ATOM 0 HD13 LEU A 60 17.906 -10.065 6.675 1.00 32.54 H new ATOM 0 HD21 LEU A 60 20.432 -11.783 7.081 1.00 14.32 H new ATOM 0 HD22 LEU A 60 18.788 -12.337 7.475 1.00 14.32 H new ATOM 0 HD23 LEU A 60 19.808 -13.291 6.372 1.00 14.32 H new ATOM 1043 N LYS A 61 16.061 -13.130 2.434 1.00 61.15 N ATOM 1044 CA LYS A 61 14.785 -13.554 1.870 1.00 12.11 C ATOM 1045 C LYS A 61 14.881 -14.969 1.308 1.00 2.40 C ATOM 1046 O LYS A 61 14.112 -15.852 1.687 1.00 23.42 O ATOM 1047 CB LYS A 61 14.343 -12.586 0.770 1.00 14.25 C ATOM 1048 CG LYS A 61 13.426 -11.481 1.265 1.00 14.25 C ATOM 1049 CD LYS A 61 12.641 -10.855 0.125 1.00 51.41 C ATOM 1050 CE LYS A 61 13.390 -9.682 -0.489 1.00 63.24 C ATOM 1051 NZ LYS A 61 12.502 -8.839 -1.337 1.00 23.11 N ATOM 0 H LYS A 61 16.438 -12.274 2.026 1.00 61.15 H new ATOM 0 HA LYS A 61 14.044 -13.549 2.669 1.00 12.11 H new ATOM 0 HB2 LYS A 61 15.226 -12.137 0.316 1.00 14.25 H new ATOM 0 HB3 LYS A 61 13.832 -13.147 -0.013 1.00 14.25 H new ATOM 0 HG2 LYS A 61 12.735 -11.885 2.005 1.00 14.25 H new ATOM 0 HG3 LYS A 61 14.017 -10.714 1.766 1.00 14.25 H new ATOM 0 HD2 LYS A 61 12.448 -11.606 -0.641 1.00 51.41 H new ATOM 0 HD3 LYS A 61 11.672 -10.517 0.492 1.00 51.41 H new ATOM 0 HE2 LYS A 61 13.821 -9.071 0.304 1.00 63.24 H new ATOM 0 HE3 LYS A 61 14.219 -10.055 -1.090 1.00 63.24 H new ATOM 0 HZ1 LYS A 61 13.022 -8.529 -2.183 1.00 23.11 H new ATOM 0 HZ2 LYS A 61 11.670 -9.392 -1.625 1.00 23.11 H new ATOM 0 HZ3 LYS A 61 12.193 -8.006 -0.796 1.00 23.11 H new ATOM 1065 N LYS A 62 15.831 -15.177 0.403 1.00 62.22 N ATOM 1066 CA LYS A 62 16.031 -16.485 -0.210 1.00 72.10 C ATOM 1067 C LYS A 62 16.221 -17.561 0.854 1.00 22.31 C ATOM 1068 O LYS A 62 15.692 -18.667 0.736 1.00 44.24 O ATOM 1069 CB LYS A 62 17.244 -16.454 -1.142 1.00 60.53 C ATOM 1070 CG LYS A 62 17.127 -15.432 -2.259 1.00 42.31 C ATOM 1071 CD LYS A 62 18.368 -14.560 -2.349 1.00 3.44 C ATOM 1072 CE LYS A 62 18.201 -13.456 -3.382 1.00 13.13 C ATOM 1073 NZ LYS A 62 19.440 -12.644 -3.531 1.00 52.45 N ATOM 0 H LYS A 62 16.475 -14.456 0.077 1.00 62.22 H new ATOM 0 HA LYS A 62 15.141 -16.727 -0.791 1.00 72.10 H new ATOM 0 HB2 LYS A 62 18.137 -16.238 -0.555 1.00 60.53 H new ATOM 0 HB3 LYS A 62 17.381 -17.443 -1.579 1.00 60.53 H new ATOM 0 HG2 LYS A 62 16.972 -15.945 -3.208 1.00 42.31 H new ATOM 0 HG3 LYS A 62 16.252 -14.805 -2.089 1.00 42.31 H new ATOM 0 HD2 LYS A 62 18.575 -14.119 -1.374 1.00 3.44 H new ATOM 0 HD3 LYS A 62 19.229 -15.176 -2.610 1.00 3.44 H new ATOM 0 HE2 LYS A 62 17.937 -13.896 -4.344 1.00 13.13 H new ATOM 0 HE3 LYS A 62 17.375 -12.808 -3.090 1.00 13.13 H new ATOM 0 HZ1 LYS A 62 19.230 -11.788 -4.083 1.00 52.45 H new ATOM 0 HZ2 LYS A 62 19.792 -12.372 -2.591 1.00 52.45 H new ATOM 0 HZ3 LYS A 62 20.165 -13.204 -4.023 1.00 52.45 H new ATOM 1087 N LYS A 63 16.979 -17.231 1.895 1.00 55.44 N ATOM 1088 CA LYS A 63 17.237 -18.167 2.982 1.00 71.11 C ATOM 1089 C LYS A 63 15.948 -18.509 3.723 1.00 4.23 C ATOM 1090 O LYS A 63 15.787 -19.620 4.227 1.00 4.24 O ATOM 1091 CB LYS A 63 18.258 -17.578 3.957 1.00 25.55 C ATOM 1092 CG LYS A 63 19.700 -17.862 3.573 1.00 43.55 C ATOM 1093 CD LYS A 63 20.668 -16.990 4.356 1.00 71.22 C ATOM 1094 CE LYS A 63 21.009 -17.608 5.703 1.00 20.21 C ATOM 1095 NZ LYS A 63 22.156 -18.553 5.605 1.00 34.44 N ATOM 0 H LYS A 63 17.426 -16.321 2.008 1.00 55.44 H new ATOM 0 HA LYS A 63 17.641 -19.083 2.552 1.00 71.11 H new ATOM 0 HB2 LYS A 63 18.112 -16.499 4.015 1.00 25.55 H new ATOM 0 HB3 LYS A 63 18.070 -17.979 4.953 1.00 25.55 H new ATOM 0 HG2 LYS A 63 19.926 -18.913 3.756 1.00 43.55 H new ATOM 0 HG3 LYS A 63 19.834 -17.688 2.505 1.00 43.55 H new ATOM 0 HD2 LYS A 63 21.581 -16.848 3.778 1.00 71.22 H new ATOM 0 HD3 LYS A 63 20.230 -16.003 4.507 1.00 71.22 H new ATOM 0 HE2 LYS A 63 21.249 -16.818 6.415 1.00 20.21 H new ATOM 0 HE3 LYS A 63 20.137 -18.134 6.092 1.00 20.21 H new ATOM 0 HZ1 LYS A 63 22.357 -18.953 6.544 1.00 34.44 H new ATOM 0 HZ2 LYS A 63 21.918 -19.321 4.945 1.00 34.44 H new ATOM 0 HZ3 LYS A 63 22.995 -18.046 5.258 1.00 34.44 H new ATOM 1109 N ALA A 64 15.033 -17.547 3.784 1.00 3.04 N ATOM 1110 CA ALA A 64 13.758 -17.748 4.461 1.00 50.20 C ATOM 1111 C ALA A 64 12.761 -18.459 3.553 1.00 73.03 C ATOM 1112 O ALA A 64 11.588 -18.609 3.898 1.00 31.23 O ATOM 1113 CB ALA A 64 13.192 -16.415 4.927 1.00 3.45 C ATOM 0 H ALA A 64 15.151 -16.621 3.373 1.00 3.04 H new ATOM 0 HA ALA A 64 13.933 -18.380 5.331 1.00 50.20 H new ATOM 0 HB1 ALA A 64 12.240 -16.580 5.431 1.00 3.45 H new ATOM 0 HB2 ALA A 64 13.891 -15.944 5.618 1.00 3.45 H new ATOM 0 HB3 ALA A 64 13.039 -15.764 4.066 1.00 3.45 H new ATOM 1119 N LEU A 65 13.233 -18.895 2.390 1.00 11.40 N ATOM 1120 CA LEU A 65 12.382 -19.590 1.431 1.00 71.12 C ATOM 1121 C LEU A 65 11.373 -18.633 0.804 1.00 33.32 C ATOM 1122 O LEU A 65 10.241 -19.016 0.506 1.00 74.05 O ATOM 1123 CB LEU A 65 11.650 -20.747 2.114 1.00 55.54 C ATOM 1124 CG LEU A 65 12.478 -21.583 3.089 1.00 10.14 C ATOM 1125 CD1 LEU A 65 11.571 -22.400 3.996 1.00 14.21 C ATOM 1126 CD2 LEU A 65 13.437 -22.491 2.333 1.00 75.01 C ATOM 0 H LEU A 65 14.201 -18.779 2.089 1.00 11.40 H new ATOM 0 HA LEU A 65 13.017 -19.987 0.639 1.00 71.12 H new ATOM 0 HB2 LEU A 65 10.793 -20.341 2.652 1.00 55.54 H new ATOM 0 HB3 LEU A 65 11.258 -21.409 1.342 1.00 55.54 H new ATOM 0 HG LEU A 65 13.064 -20.906 3.710 1.00 10.14 H new ATOM 0 HD11 LEU A 65 12.179 -22.989 4.683 1.00 14.21 H new ATOM 0 HD12 LEU A 65 10.926 -21.730 4.565 1.00 14.21 H new ATOM 0 HD13 LEU A 65 10.957 -23.068 3.391 1.00 14.21 H new ATOM 0 HD21 LEU A 65 14.018 -23.079 3.044 1.00 75.01 H new ATOM 0 HD22 LEU A 65 12.870 -23.161 1.686 1.00 75.01 H new ATOM 0 HD23 LEU A 65 14.110 -21.885 1.727 1.00 75.01 H new ATOM 1138 N LEU A 66 11.791 -17.388 0.606 1.00 75.03 N ATOM 1139 CA LEU A 66 10.924 -16.376 0.012 1.00 51.22 C ATOM 1140 C LEU A 66 11.119 -16.310 -1.500 1.00 22.45 C ATOM 1141 O LEU A 66 10.188 -16.003 -2.244 1.00 32.03 O ATOM 1142 CB LEU A 66 11.205 -15.007 0.634 1.00 44.24 C ATOM 1143 CG LEU A 66 10.283 -14.587 1.779 1.00 63.41 C ATOM 1144 CD1 LEU A 66 11.011 -13.656 2.736 1.00 54.42 C ATOM 1145 CD2 LEU A 66 9.027 -13.923 1.236 1.00 52.51 C ATOM 0 H LEU A 66 12.724 -17.055 0.848 1.00 75.03 H new ATOM 0 HA LEU A 66 9.890 -16.655 0.214 1.00 51.22 H new ATOM 0 HB2 LEU A 66 12.232 -15.001 1.000 1.00 44.24 H new ATOM 0 HB3 LEU A 66 11.142 -14.254 -0.151 1.00 44.24 H new ATOM 0 HG LEU A 66 9.988 -15.480 2.329 1.00 63.41 H new ATOM 0 HD11 LEU A 66 10.339 -13.367 3.544 1.00 54.42 H new ATOM 0 HD12 LEU A 66 11.880 -14.167 3.151 1.00 54.42 H new ATOM 0 HD13 LEU A 66 11.337 -12.765 2.199 1.00 54.42 H new ATOM 0 HD21 LEU A 66 8.383 -13.631 2.065 1.00 52.51 H new ATOM 0 HD22 LEU A 66 9.302 -13.039 0.661 1.00 52.51 H new ATOM 0 HD23 LEU A 66 8.495 -14.623 0.592 1.00 52.51 H new ATOM 1157 N PHE A 67 12.336 -16.604 -1.947 1.00 13.40 N ATOM 1158 CA PHE A 67 12.653 -16.579 -3.370 1.00 63.50 C ATOM 1159 C PHE A 67 12.899 -17.990 -3.896 1.00 60.54 C ATOM 1160 O PHE A 67 13.830 -18.670 -3.466 1.00 32.31 O ATOM 1161 CB PHE A 67 13.884 -15.706 -3.625 1.00 33.41 C ATOM 1162 CG PHE A 67 13.628 -14.239 -3.431 1.00 71.04 C ATOM 1163 CD1 PHE A 67 12.339 -13.765 -3.248 1.00 32.31 C ATOM 1164 CD2 PHE A 67 14.677 -13.333 -3.432 1.00 74.53 C ATOM 1165 CE1 PHE A 67 12.101 -12.416 -3.070 1.00 52.54 C ATOM 1166 CE2 PHE A 67 14.445 -11.982 -3.255 1.00 33.41 C ATOM 1167 CZ PHE A 67 13.155 -11.523 -3.073 1.00 21.14 C ATOM 0 H PHE A 67 13.118 -16.862 -1.345 1.00 13.40 H new ATOM 0 HA PHE A 67 11.800 -16.155 -3.900 1.00 63.50 H new ATOM 0 HB2 PHE A 67 14.686 -16.018 -2.956 1.00 33.41 H new ATOM 0 HB3 PHE A 67 14.234 -15.874 -4.643 1.00 33.41 H new ATOM 0 HD1 PHE A 67 11.511 -14.458 -3.244 1.00 32.31 H new ATOM 0 HD2 PHE A 67 15.688 -13.687 -3.573 1.00 74.53 H new ATOM 0 HE1 PHE A 67 11.091 -12.060 -2.929 1.00 52.54 H new ATOM 0 HE2 PHE A 67 15.271 -11.286 -3.259 1.00 33.41 H new ATOM 0 HZ PHE A 67 12.971 -10.468 -2.933 1.00 21.14 H new