USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 440 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 157:sc= -0.0269 (180deg=-0.247) USER MOD Single : A 12 THR OG1 : rot -57:sc= 0.0409 USER MOD Single : A 18 SER OG : rot 180:sc= 0.125 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.76 K(o=-1.8,f=-3.6!) USER MOD Single : A 37 TYR OH : rot -145:sc= 1.45 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00259 X(o=-0.0026,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.78 X(o=-0.78,f=-1.3) USER MOD Single : A 52 TYR OH : rot -42:sc= 0.976 USER MOD Single : A 55 MET CE :methyl -142:sc= -2.61 (180deg=-6.33!) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 3 5.466 -0.527 -0.306 1.00 0.00 N ATOM 34 CA ALA A 3 4.370 -1.466 -0.420 1.00 0.00 C ATOM 35 C ALA A 3 4.355 -1.888 -1.898 1.00 0.00 C ATOM 36 O ALA A 3 4.817 -1.163 -2.774 1.00 0.00 O ATOM 37 CB ALA A 3 3.103 -0.798 0.125 1.00 0.00 C ATOM 0 HA ALA A 3 4.459 -2.376 0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.265 -1.490 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.255 -0.527 1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.887 0.100 -0.454 1.00 0.00 H new ATOM 43 N ILE A 4 3.826 -3.103 -2.112 1.00 0.00 N ATOM 44 CA ILE A 4 3.850 -3.695 -3.429 1.00 0.00 C ATOM 45 C ILE A 4 2.580 -4.502 -3.515 1.00 0.00 C ATOM 46 O ILE A 4 2.389 -5.498 -2.826 1.00 0.00 O ATOM 47 CB ILE A 4 5.084 -4.607 -3.540 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.356 -3.750 -3.544 1.00 0.00 C ATOM 49 CG2 ILE A 4 5.038 -5.518 -4.788 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.628 -4.556 -3.818 1.00 0.00 C ATOM 0 H ILE A 4 3.386 -3.676 -1.392 1.00 0.00 H new ATOM 0 HA ILE A 4 3.909 -2.959 -4.231 1.00 0.00 H new ATOM 0 HB ILE A 4 5.087 -5.268 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.258 -2.971 -4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.452 -3.250 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.932 -6.140 -4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.154 -6.154 -4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.995 -4.902 -5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.490 -3.890 -3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.749 -5.318 -3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.552 -5.035 -4.794 1.00 0.00 H new ATOM 62 N ALA A 5 1.726 -3.997 -4.405 1.00 0.00 N ATOM 63 CA ALA A 5 0.454 -4.678 -4.536 1.00 0.00 C ATOM 64 C ALA A 5 0.648 -6.096 -5.167 1.00 0.00 C ATOM 65 O ALA A 5 1.435 -6.310 -6.081 1.00 0.00 O ATOM 66 CB ALA A 5 -0.379 -3.805 -5.462 1.00 0.00 C ATOM 0 H ALA A 5 1.877 -3.183 -5.000 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.024 -4.822 -3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.359 -4.260 -5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.500 -2.817 -5.019 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.124 -3.712 -6.424 1.00 0.00 H new ATOM 72 N LYS A 6 -0.198 -6.994 -4.650 1.00 0.00 N ATOM 73 CA LYS A 6 -0.307 -8.417 -4.962 1.00 0.00 C ATOM 74 C LYS A 6 -1.432 -8.733 -5.945 1.00 0.00 C ATOM 75 O LYS A 6 -1.388 -9.749 -6.623 1.00 0.00 O ATOM 76 CB LYS A 6 -0.614 -9.192 -3.677 1.00 0.00 C ATOM 77 CG LYS A 6 0.508 -9.105 -2.645 1.00 0.00 C ATOM 78 CD LYS A 6 0.760 -10.449 -1.946 1.00 0.00 C ATOM 79 CE LYS A 6 -0.394 -10.886 -1.034 1.00 0.00 C ATOM 80 NZ LYS A 6 -0.351 -12.319 -0.752 1.00 0.00 N ATOM 0 H LYS A 6 -0.880 -6.717 -3.944 1.00 0.00 H new ATOM 0 HA LYS A 6 0.643 -8.705 -5.412 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.534 -8.807 -3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.792 -10.238 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.424 -8.775 -3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.255 -8.351 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.928 -11.217 -2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.673 -10.378 -1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.348 -10.330 -0.098 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.344 -10.637 -1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.147 -12.575 -0.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.421 -12.850 -1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.545 -12.553 -0.279 1.00 0.00 H new ATOM 94 N TYR A 7 -2.474 -7.873 -5.924 1.00 0.00 N ATOM 95 CA TYR A 7 -3.603 -8.141 -6.849 1.00 0.00 C ATOM 96 C TYR A 7 -4.159 -6.800 -7.337 1.00 0.00 C ATOM 97 O TYR A 7 -3.906 -5.746 -6.764 1.00 0.00 O ATOM 98 CB TYR A 7 -4.777 -8.900 -6.173 1.00 0.00 C ATOM 99 CG TYR A 7 -4.459 -10.317 -5.756 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.719 -10.586 -4.623 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.894 -11.386 -6.517 1.00 0.00 C ATOM 102 CE1 TYR A 7 -3.386 -11.896 -4.298 1.00 0.00 C ATOM 103 CE2 TYR A 7 -4.600 -12.687 -6.201 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.815 -12.978 -5.072 1.00 0.00 C ATOM 105 OH TYR A 7 -3.367 -14.238 -4.644 1.00 0.00 O ATOM 0 H TYR A 7 -2.561 -7.049 -5.329 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.212 -8.760 -7.656 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.095 -8.340 -5.293 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.622 -8.920 -6.861 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.397 -9.775 -3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.490 -11.188 -7.396 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.780 -12.083 -3.424 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.972 -13.490 -6.820 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.717 -14.930 -5.243 1.00 0.00 H new ATOM 115 N ASP A 8 -4.952 -6.912 -8.426 1.00 0.00 N ATOM 116 CA ASP A 8 -5.571 -5.717 -8.992 1.00 0.00 C ATOM 117 C ASP A 8 -6.550 -5.151 -7.946 1.00 0.00 C ATOM 118 O ASP A 8 -7.099 -5.904 -7.158 1.00 0.00 O ATOM 119 CB ASP A 8 -6.230 -6.030 -10.344 1.00 0.00 C ATOM 120 CG ASP A 8 -7.283 -7.149 -10.243 1.00 0.00 C ATOM 121 OD1 ASP A 8 -6.901 -8.317 -10.211 1.00 0.00 O ATOM 122 OD2 ASP A 8 -8.472 -6.838 -10.201 1.00 0.00 O ATOM 0 H ASP A 8 -5.166 -7.786 -8.907 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.824 -4.953 -9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.701 -5.127 -10.733 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.462 -6.322 -11.060 1.00 0.00 H new ATOM 127 N PHE A 9 -6.632 -3.809 -7.880 1.00 0.00 N ATOM 128 CA PHE A 9 -7.571 -3.165 -6.960 1.00 0.00 C ATOM 129 C PHE A 9 -8.136 -1.938 -7.653 1.00 0.00 C ATOM 130 O PHE A 9 -7.501 -1.286 -8.470 1.00 0.00 O ATOM 131 CB PHE A 9 -6.905 -2.800 -5.626 1.00 0.00 C ATOM 132 CG PHE A 9 -7.903 -2.489 -4.528 1.00 0.00 C ATOM 133 CD1 PHE A 9 -8.701 -3.523 -4.082 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.106 -1.224 -3.980 1.00 0.00 C ATOM 135 CE1 PHE A 9 -9.671 -3.328 -3.133 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.097 -1.016 -3.021 1.00 0.00 C ATOM 137 CZ PHE A 9 -9.891 -2.080 -2.607 1.00 0.00 C ATOM 0 H PHE A 9 -6.071 -3.168 -8.441 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.375 -3.858 -6.713 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.268 -3.625 -5.307 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.257 -1.936 -5.775 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.557 -4.512 -4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.490 -0.397 -4.301 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.267 -4.164 -2.797 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.247 -0.032 -2.601 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.673 -1.925 -1.879 1.00 0.00 H new ATOM 147 N LYS A 10 -9.435 -1.757 -7.359 1.00 0.00 N ATOM 148 CA LYS A 10 -10.159 -0.605 -7.872 1.00 0.00 C ATOM 149 C LYS A 10 -10.939 0.085 -6.711 1.00 0.00 C ATOM 150 O LYS A 10 -11.859 -0.505 -6.164 1.00 0.00 O ATOM 151 CB LYS A 10 -10.991 -0.855 -9.103 1.00 0.00 C ATOM 152 CG LYS A 10 -11.775 -2.140 -9.007 1.00 0.00 C ATOM 153 CD LYS A 10 -13.228 -1.929 -8.593 1.00 0.00 C ATOM 154 CE LYS A 10 -14.140 -1.810 -9.810 1.00 0.00 C ATOM 155 NZ LYS A 10 -14.298 -3.098 -10.478 1.00 0.00 N ATOM 0 H LYS A 10 -9.988 -2.387 -6.778 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.411 0.091 -8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.678 -0.022 -9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.342 -0.892 -9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.749 -2.647 -9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.291 -2.800 -8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.556 -2.762 -7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.308 -1.027 -7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.116 -1.435 -9.501 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.726 -1.083 -10.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.180 -3.097 -11.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.492 -3.260 -11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.335 -3.856 -9.767 1.00 0.00 H new ATOM 169 N ALA A 11 -10.571 1.343 -6.380 1.00 0.00 N ATOM 170 CA ALA A 11 -11.198 2.096 -5.264 1.00 0.00 C ATOM 171 C ALA A 11 -12.740 2.045 -5.312 1.00 0.00 C ATOM 172 O ALA A 11 -13.343 1.986 -6.376 1.00 0.00 O ATOM 173 CB ALA A 11 -10.802 3.575 -5.232 1.00 0.00 C ATOM 0 H ALA A 11 -9.842 1.861 -6.870 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.825 1.596 -4.370 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.295 4.066 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.721 3.660 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.107 4.054 -6.162 1.00 0.00 H new ATOM 179 N THR A 12 -13.318 2.074 -4.089 1.00 0.00 N ATOM 180 CA THR A 12 -14.781 2.010 -3.942 1.00 0.00 C ATOM 181 C THR A 12 -15.355 3.228 -3.190 1.00 0.00 C ATOM 182 O THR A 12 -16.564 3.356 -3.063 1.00 0.00 O ATOM 183 CB THR A 12 -15.128 0.790 -3.067 1.00 0.00 C ATOM 184 OG1 THR A 12 -14.618 0.852 -1.672 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.453 -0.473 -3.653 1.00 0.00 C ATOM 0 H THR A 12 -12.803 2.140 -3.211 1.00 0.00 H new ATOM 0 HA THR A 12 -15.199 1.966 -4.948 1.00 0.00 H new ATOM 0 HB THR A 12 -16.218 0.771 -3.058 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.644 0.964 -1.684 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.698 -1.337 -3.035 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.813 -0.640 -4.668 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.372 -0.333 -3.669 1.00 0.00 H new ATOM 193 N ALA A 13 -14.457 4.100 -2.681 1.00 0.00 N ATOM 194 CA ALA A 13 -14.914 5.285 -1.918 1.00 0.00 C ATOM 195 C ALA A 13 -13.911 6.416 -2.052 1.00 0.00 C ATOM 196 O ALA A 13 -12.764 6.254 -2.442 1.00 0.00 O ATOM 197 CB ALA A 13 -15.090 5.010 -0.410 1.00 0.00 C ATOM 0 H ALA A 13 -13.445 4.013 -2.778 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.883 5.549 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.426 5.919 0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.831 4.223 -0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.138 4.693 0.016 1.00 0.00 H new ATOM 203 N ASP A 14 -14.455 7.570 -1.643 1.00 0.00 N ATOM 204 CA ASP A 14 -13.779 8.848 -1.680 1.00 0.00 C ATOM 205 C ASP A 14 -12.372 8.873 -1.045 1.00 0.00 C ATOM 206 O ASP A 14 -11.471 9.528 -1.552 1.00 0.00 O ATOM 207 CB ASP A 14 -14.742 9.827 -1.020 1.00 0.00 C ATOM 208 CG ASP A 14 -14.854 9.688 0.512 1.00 0.00 C ATOM 209 OD1 ASP A 14 -13.951 10.146 1.214 1.00 0.00 O ATOM 210 OD2 ASP A 14 -15.842 9.130 0.984 1.00 0.00 O ATOM 0 H ASP A 14 -15.402 7.628 -1.270 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.556 9.115 -2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.425 10.843 -1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.732 9.692 -1.457 1.00 0.00 H new ATOM 215 N ASP A 15 -12.227 8.091 0.048 1.00 0.00 N ATOM 216 CA ASP A 15 -10.949 8.108 0.774 1.00 0.00 C ATOM 217 C ASP A 15 -9.964 7.018 0.322 1.00 0.00 C ATOM 218 O ASP A 15 -8.855 6.925 0.826 1.00 0.00 O ATOM 219 CB ASP A 15 -11.277 7.980 2.268 1.00 0.00 C ATOM 220 CG ASP A 15 -11.872 6.620 2.689 1.00 0.00 C ATOM 221 OD1 ASP A 15 -12.076 5.756 1.840 1.00 0.00 O ATOM 222 OD2 ASP A 15 -12.112 6.436 3.879 1.00 0.00 O ATOM 0 H ASP A 15 -12.942 7.471 0.428 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.434 9.044 0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.366 8.155 2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.980 8.767 2.539 1.00 0.00 H new ATOM 227 N GLU A 16 -10.421 6.244 -0.670 1.00 0.00 N ATOM 228 CA GLU A 16 -9.584 5.140 -1.202 1.00 0.00 C ATOM 229 C GLU A 16 -9.103 5.491 -2.624 1.00 0.00 C ATOM 230 O GLU A 16 -9.694 6.313 -3.312 1.00 0.00 O ATOM 231 CB GLU A 16 -10.373 3.816 -1.269 1.00 0.00 C ATOM 232 CG GLU A 16 -10.286 3.003 0.030 1.00 0.00 C ATOM 233 CD GLU A 16 -11.249 1.808 0.019 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.459 1.221 -1.045 1.00 0.00 O ATOM 235 OE2 GLU A 16 -11.775 1.470 1.077 1.00 0.00 O ATOM 0 H GLU A 16 -11.333 6.348 -1.114 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.737 5.014 -0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.419 4.033 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.994 3.214 -2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.265 2.646 0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.516 3.647 0.878 1.00 0.00 H new ATOM 242 N LEU A 17 -8.025 4.768 -3.032 1.00 0.00 N ATOM 243 CA LEU A 17 -7.446 4.981 -4.369 1.00 0.00 C ATOM 244 C LEU A 17 -7.137 3.615 -5.041 1.00 0.00 C ATOM 245 O LEU A 17 -7.044 2.581 -4.394 1.00 0.00 O ATOM 246 CB LEU A 17 -6.203 5.885 -4.270 1.00 0.00 C ATOM 247 CG LEU A 17 -4.860 5.162 -4.042 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.017 5.201 -5.313 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.043 5.795 -2.935 1.00 0.00 C ATOM 0 H LEU A 17 -7.558 4.057 -2.469 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.167 5.495 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.128 6.468 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.356 6.592 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.108 4.138 -3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.072 4.687 -5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.555 4.706 -6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.821 6.237 -5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.108 5.248 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.827 6.832 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.606 5.760 -2.002 1.00 0.00 H new ATOM 261 N SER A 18 -6.993 3.690 -6.371 1.00 0.00 N ATOM 262 CA SER A 18 -6.717 2.525 -7.206 1.00 0.00 C ATOM 263 C SER A 18 -5.235 2.139 -7.320 1.00 0.00 C ATOM 264 O SER A 18 -4.320 2.879 -6.986 1.00 0.00 O ATOM 265 CB SER A 18 -7.329 2.872 -8.608 1.00 0.00 C ATOM 266 OG SER A 18 -8.791 2.489 -8.670 1.00 0.00 O ATOM 0 H SER A 18 -7.066 4.563 -6.894 1.00 0.00 H new ATOM 0 HA SER A 18 -7.161 1.640 -6.750 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.220 3.939 -8.802 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.778 2.348 -9.389 1.00 0.00 H new ATOM 0 HG SER A 18 -9.152 2.716 -9.552 1.00 0.00 H new ATOM 272 N PHE A 19 -5.100 0.875 -7.800 1.00 0.00 N ATOM 273 CA PHE A 19 -3.806 0.271 -8.116 1.00 0.00 C ATOM 274 C PHE A 19 -4.014 -0.981 -8.983 1.00 0.00 C ATOM 275 O PHE A 19 -5.113 -1.494 -9.115 1.00 0.00 O ATOM 276 CB PHE A 19 -2.900 -0.006 -6.916 1.00 0.00 C ATOM 277 CG PHE A 19 -3.450 -0.913 -5.837 1.00 0.00 C ATOM 278 CD1 PHE A 19 -4.204 -0.392 -4.806 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.190 -2.271 -5.825 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.679 -1.199 -3.802 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.644 -3.071 -4.803 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.388 -2.537 -3.789 1.00 0.00 C ATOM 0 H PHE A 19 -5.893 0.257 -7.974 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.254 1.023 -8.680 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.972 -0.442 -7.285 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.643 0.949 -6.458 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.424 0.665 -4.788 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.621 -2.710 -6.631 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.287 -0.775 -3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.412 -4.126 -4.802 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.743 -3.164 -2.985 1.00 0.00 H new ATOM 292 N LYS A 20 -2.916 -1.367 -9.664 1.00 0.00 N ATOM 293 CA LYS A 20 -2.956 -2.556 -10.520 1.00 0.00 C ATOM 294 C LYS A 20 -1.695 -3.409 -10.322 1.00 0.00 C ATOM 295 O LYS A 20 -0.597 -2.964 -10.622 1.00 0.00 O ATOM 296 CB LYS A 20 -3.201 -2.199 -11.980 1.00 0.00 C ATOM 297 CG LYS A 20 -2.259 -1.124 -12.466 1.00 0.00 C ATOM 298 CD LYS A 20 -2.994 0.059 -13.110 1.00 0.00 C ATOM 299 CE LYS A 20 -2.176 1.356 -13.121 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.327 2.087 -14.376 1.00 0.00 N ATOM 0 H LYS A 20 -2.018 -0.885 -9.637 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.808 -3.163 -10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.082 -3.090 -12.596 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.230 -1.862 -12.103 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.662 -0.763 -11.628 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.566 -1.554 -13.189 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.259 -0.203 -14.134 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.927 0.232 -12.574 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.490 1.990 -12.292 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.123 1.122 -12.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.758 2.957 -14.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.003 1.492 -15.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.328 2.333 -14.516 1.00 0.00 H new ATOM 314 N ARG A 21 -1.951 -4.669 -9.871 1.00 0.00 N ATOM 315 CA ARG A 21 -0.971 -5.717 -9.563 1.00 0.00 C ATOM 316 C ARG A 21 0.496 -5.331 -9.885 1.00 0.00 C ATOM 317 O ARG A 21 0.974 -5.551 -10.992 1.00 0.00 O ATOM 318 CB ARG A 21 -1.422 -7.018 -10.256 1.00 0.00 C ATOM 319 CG ARG A 21 -0.369 -8.143 -10.271 1.00 0.00 C ATOM 320 CD ARG A 21 -0.906 -9.482 -9.770 1.00 0.00 C ATOM 321 NE ARG A 21 -0.494 -10.621 -10.591 1.00 0.00 N ATOM 322 CZ ARG A 21 -1.132 -10.946 -11.737 1.00 0.00 C ATOM 323 NH1 ARG A 21 -1.932 -10.090 -12.360 1.00 0.00 N ATOM 324 NH2 ARG A 21 -0.952 -12.149 -12.265 1.00 0.00 N ATOM 0 H ARG A 21 -2.907 -4.985 -9.708 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.953 -5.865 -8.483 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.319 -7.386 -9.758 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.701 -6.787 -11.284 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.005 -8.267 -11.287 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.479 -7.846 -9.653 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.566 -9.640 -8.746 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.995 -9.440 -9.742 1.00 0.00 H new ATOM 0 HE ARG A 21 0.299 -11.187 -10.289 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.079 -9.157 -11.975 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.400 -10.365 -13.224 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.336 -12.820 -11.806 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.430 -12.403 -13.130 1.00 0.00 H new ATOM 338 N GLY A 22 1.167 -4.787 -8.844 1.00 0.00 N ATOM 339 CA GLY A 22 2.569 -4.391 -8.948 1.00 0.00 C ATOM 340 C GLY A 22 2.871 -2.903 -8.735 1.00 0.00 C ATOM 341 O GLY A 22 4.002 -2.485 -8.943 1.00 0.00 O ATOM 0 H GLY A 22 0.751 -4.617 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.142 -4.964 -8.219 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.933 -4.676 -9.935 1.00 0.00 H new ATOM 345 N ASP A 23 1.864 -2.104 -8.308 1.00 0.00 N ATOM 346 CA ASP A 23 2.168 -0.687 -8.109 1.00 0.00 C ATOM 347 C ASP A 23 3.237 -0.448 -7.021 1.00 0.00 C ATOM 348 O ASP A 23 3.364 -1.207 -6.065 1.00 0.00 O ATOM 349 CB ASP A 23 0.910 0.149 -7.832 1.00 0.00 C ATOM 350 CG ASP A 23 0.152 0.557 -9.128 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.577 0.221 -10.230 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.875 1.212 -9.024 1.00 0.00 O ATOM 0 H ASP A 23 0.907 -2.396 -8.110 1.00 0.00 H new ATOM 0 HA ASP A 23 2.590 -0.347 -9.055 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.238 -0.419 -7.188 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.192 1.048 -7.284 1.00 0.00 H new ATOM 357 N ILE A 24 3.943 0.692 -7.195 1.00 0.00 N ATOM 358 CA ILE A 24 4.969 1.089 -6.229 1.00 0.00 C ATOM 359 C ILE A 24 4.263 2.071 -5.285 1.00 0.00 C ATOM 360 O ILE A 24 3.940 3.191 -5.656 1.00 0.00 O ATOM 361 CB ILE A 24 6.162 1.755 -6.946 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.869 0.734 -7.851 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.180 2.373 -5.960 1.00 0.00 C ATOM 364 CD1 ILE A 24 7.809 1.404 -8.859 1.00 0.00 C ATOM 0 H ILE A 24 3.820 1.334 -7.978 1.00 0.00 H new ATOM 0 HA ILE A 24 5.381 0.238 -5.687 1.00 0.00 H new ATOM 0 HB ILE A 24 5.758 2.570 -7.547 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.437 0.038 -7.235 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.122 0.149 -8.387 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.998 2.828 -6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.686 3.134 -5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.575 1.593 -5.309 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.285 0.641 -9.475 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.238 2.080 -9.495 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.574 1.968 -8.324 1.00 0.00 H new ATOM 376 N LEU A 25 4.111 1.591 -4.030 1.00 0.00 N ATOM 377 CA LEU A 25 3.382 2.360 -3.023 1.00 0.00 C ATOM 378 C LEU A 25 4.343 3.020 -2.035 1.00 0.00 C ATOM 379 O LEU A 25 5.419 2.517 -1.743 1.00 0.00 O ATOM 380 CB LEU A 25 2.552 1.332 -2.228 1.00 0.00 C ATOM 381 CG LEU A 25 1.235 0.901 -2.887 1.00 0.00 C ATOM 382 CD1 LEU A 25 1.210 1.004 -4.408 1.00 0.00 C ATOM 383 CD2 LEU A 25 0.814 -0.514 -2.493 1.00 0.00 C ATOM 0 H LEU A 25 4.477 0.696 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 25 2.783 3.133 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.164 0.445 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.328 1.751 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 25 0.522 1.628 -2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.238 0.678 -4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.383 2.038 -4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.991 0.370 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.124 -0.766 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.586 -1.221 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.679 -0.566 -1.413 1.00 0.00 H new ATOM 395 N LYS A 26 3.883 4.222 -1.616 1.00 0.00 N ATOM 396 CA LYS A 26 4.598 5.033 -0.628 1.00 0.00 C ATOM 397 C LYS A 26 3.742 5.120 0.637 1.00 0.00 C ATOM 398 O LYS A 26 2.754 5.821 0.623 1.00 0.00 O ATOM 399 CB LYS A 26 5.006 6.396 -1.211 1.00 0.00 C ATOM 400 CG LYS A 26 6.533 6.597 -1.190 1.00 0.00 C ATOM 401 CD LYS A 26 6.958 8.052 -0.943 1.00 0.00 C ATOM 402 CE LYS A 26 7.999 8.170 0.170 1.00 0.00 C ATOM 403 NZ LYS A 26 9.268 7.547 -0.190 1.00 0.00 N ATOM 0 H LYS A 26 3.018 4.644 -1.953 1.00 0.00 H new ATOM 0 HA LYS A 26 5.542 4.563 -0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.644 6.475 -2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.527 7.192 -0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.964 5.965 -0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.948 6.262 -2.141 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.364 8.471 -1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.081 8.645 -0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.166 9.223 0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.613 7.704 1.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.942 7.652 0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.116 6.536 -0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.652 8.007 -1.040 1.00 0.00 H new ATOM 417 N VAL A 27 4.165 4.530 1.772 1.00 0.00 N ATOM 418 CA VAL A 27 3.200 4.560 2.892 1.00 0.00 C ATOM 419 C VAL A 27 3.325 5.863 3.708 1.00 0.00 C ATOM 420 O VAL A 27 4.238 6.046 4.499 1.00 0.00 O ATOM 421 CB VAL A 27 3.371 3.315 3.798 1.00 0.00 C ATOM 422 CG1 VAL A 27 2.169 3.173 4.740 1.00 0.00 C ATOM 423 CG2 VAL A 27 3.553 2.026 2.968 1.00 0.00 C ATOM 0 H VAL A 27 5.063 4.074 1.935 1.00 0.00 H new ATOM 0 HA VAL A 27 2.196 4.535 2.468 1.00 0.00 H new ATOM 0 HB VAL A 27 4.275 3.459 4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.303 2.294 5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.091 4.061 5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.257 3.063 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.670 1.175 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.678 1.873 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.440 2.119 2.342 1.00 0.00 H new ATOM 433 N LEU A 28 2.304 6.732 3.544 1.00 0.00 N ATOM 434 CA LEU A 28 2.329 8.021 4.240 1.00 0.00 C ATOM 435 C LEU A 28 1.641 8.026 5.611 1.00 0.00 C ATOM 436 O LEU A 28 1.693 9.025 6.318 1.00 0.00 O ATOM 437 CB LEU A 28 1.753 9.130 3.339 1.00 0.00 C ATOM 438 CG LEU A 28 2.292 10.524 3.720 1.00 0.00 C ATOM 439 CD1 LEU A 28 3.821 10.559 3.652 1.00 0.00 C ATOM 440 CD2 LEU A 28 1.712 11.628 2.834 1.00 0.00 C ATOM 0 H LEU A 28 1.485 6.568 2.958 1.00 0.00 H new ATOM 0 HA LEU A 28 3.381 8.217 4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.001 8.917 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.666 9.129 3.414 1.00 0.00 H new ATOM 0 HG LEU A 28 1.974 10.712 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.175 11.553 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.233 9.824 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.146 10.324 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.120 12.592 3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.975 11.436 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.627 11.645 2.937 1.00 0.00 H new ATOM 536 N ASN A 35 -5.658 -3.753 8.496 1.00 0.00 N ATOM 537 CA ASN A 35 -6.338 -4.175 7.282 1.00 0.00 C ATOM 538 C ASN A 35 -6.166 -3.141 6.143 1.00 0.00 C ATOM 539 O ASN A 35 -6.488 -3.443 5.006 1.00 0.00 O ATOM 540 CB ASN A 35 -7.833 -4.323 7.532 1.00 0.00 C ATOM 541 CG ASN A 35 -8.193 -5.740 8.005 1.00 0.00 C ATOM 542 OD1 ASN A 35 -7.460 -6.700 7.804 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.371 -5.792 8.641 1.00 0.00 N ATOM 0 HA ASN A 35 -5.893 -5.126 6.991 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.150 -3.598 8.281 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.379 -4.095 6.617 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.718 -6.681 9.000 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.921 -4.942 8.766 1.00 0.00 H new ATOM 550 N TRP A 36 -5.694 -1.922 6.481 1.00 0.00 N ATOM 551 CA TRP A 36 -5.539 -0.859 5.472 1.00 0.00 C ATOM 552 C TRP A 36 -4.216 -0.087 5.701 1.00 0.00 C ATOM 553 O TRP A 36 -3.658 -0.091 6.789 1.00 0.00 O ATOM 554 CB TRP A 36 -6.774 0.097 5.554 1.00 0.00 C ATOM 555 CG TRP A 36 -8.056 -0.630 5.139 1.00 0.00 C ATOM 556 CD1 TRP A 36 -8.816 -1.442 5.998 1.00 0.00 C ATOM 557 CD2 TRP A 36 -8.667 -0.746 3.821 1.00 0.00 C ATOM 558 NE1 TRP A 36 -9.791 -2.044 5.278 1.00 0.00 N ATOM 559 CE2 TRP A 36 -9.738 -1.657 3.943 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.405 -0.204 2.593 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.480 -1.987 2.844 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.175 -0.515 1.482 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.217 -1.413 1.606 1.00 0.00 C ATOM 0 H TRP A 36 -5.419 -1.655 7.426 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.493 -1.297 4.475 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.879 0.476 6.571 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.615 0.960 4.907 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.649 -1.565 7.058 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.475 -2.696 5.663 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.578 0.483 2.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.282 -2.704 2.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -8.961 -0.058 0.527 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -10.822 -1.667 0.748 1.00 0.00 H new ATOM 574 N TYR A 37 -3.718 0.507 4.593 1.00 0.00 N ATOM 575 CA TYR A 37 -2.521 1.358 4.643 1.00 0.00 C ATOM 576 C TYR A 37 -2.875 2.588 3.768 1.00 0.00 C ATOM 577 O TYR A 37 -3.453 2.438 2.699 1.00 0.00 O ATOM 578 CB TYR A 37 -1.256 0.692 4.024 1.00 0.00 C ATOM 579 CG TYR A 37 -0.766 -0.517 4.785 1.00 0.00 C ATOM 580 CD1 TYR A 37 -0.534 -0.430 6.139 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.582 -1.742 4.170 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.207 -1.536 6.872 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.235 -2.870 4.882 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.037 -2.765 6.271 1.00 0.00 C ATOM 585 OH TYR A 37 0.411 -3.748 7.149 1.00 0.00 O ATOM 0 H TYR A 37 -4.127 0.410 3.663 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.280 1.581 5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.478 0.398 2.998 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.455 1.430 3.978 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.612 0.529 6.630 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.714 -1.817 3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.080 -1.446 7.941 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.117 -3.820 4.381 1.00 0.00 H new ATOM 0 HH TYR A 37 1.010 -4.362 6.675 1.00 0.00 H new ATOM 595 N LYS A 38 -2.501 3.792 4.258 1.00 0.00 N ATOM 596 CA LYS A 38 -2.716 5.004 3.467 1.00 0.00 C ATOM 597 C LYS A 38 -1.358 5.300 2.804 1.00 0.00 C ATOM 598 O LYS A 38 -0.384 5.588 3.491 1.00 0.00 O ATOM 599 CB LYS A 38 -3.127 6.157 4.394 1.00 0.00 C ATOM 600 CG LYS A 38 -3.446 7.453 3.626 1.00 0.00 C ATOM 601 CD LYS A 38 -4.826 8.024 3.984 1.00 0.00 C ATOM 602 CE LYS A 38 -4.841 8.695 5.367 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.860 10.152 5.292 1.00 0.00 N ATOM 0 H LYS A 38 -2.064 3.940 5.168 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.506 4.885 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.001 5.858 4.973 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.324 6.350 5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.681 8.198 3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.404 7.256 2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.123 8.750 3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.564 7.222 3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.715 8.354 5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.963 8.377 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.870 10.549 6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.013 10.485 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.711 10.462 4.781 1.00 0.00 H new ATOM 617 N ALA A 39 -1.353 5.259 1.453 1.00 0.00 N ATOM 618 CA ALA A 39 -0.102 5.449 0.720 1.00 0.00 C ATOM 619 C ALA A 39 -0.295 6.338 -0.515 1.00 0.00 C ATOM 620 O ALA A 39 -1.410 6.743 -0.813 1.00 0.00 O ATOM 621 CB ALA A 39 0.416 4.055 0.355 1.00 0.00 C ATOM 0 H ALA A 39 -2.177 5.101 0.872 1.00 0.00 H new ATOM 0 HA ALA A 39 0.629 5.973 1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.352 4.147 -0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.586 3.480 1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.321 3.544 -0.265 1.00 0.00 H new ATOM 627 N GLU A 40 0.843 6.650 -1.190 1.00 0.00 N ATOM 628 CA GLU A 40 0.785 7.518 -2.356 1.00 0.00 C ATOM 629 C GLU A 40 0.991 6.694 -3.646 1.00 0.00 C ATOM 630 O GLU A 40 1.934 5.918 -3.787 1.00 0.00 O ATOM 631 CB GLU A 40 1.851 8.622 -2.176 1.00 0.00 C ATOM 632 CG GLU A 40 1.698 9.835 -3.115 1.00 0.00 C ATOM 633 CD GLU A 40 2.458 9.650 -4.444 1.00 0.00 C ATOM 634 OE1 GLU A 40 1.946 8.991 -5.344 1.00 0.00 O ATOM 635 OE2 GLU A 40 3.561 10.179 -4.565 1.00 0.00 O ATOM 0 H GLU A 40 1.775 6.317 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.193 7.989 -2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.818 8.973 -1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.837 8.183 -2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.641 9.998 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.065 10.729 -2.611 1.00 0.00 H new ATOM 642 N LEU A 41 0.054 6.995 -4.584 1.00 0.00 N ATOM 643 CA LEU A 41 -0.042 6.426 -5.936 1.00 0.00 C ATOM 644 C LEU A 41 -0.848 7.250 -6.913 1.00 0.00 C ATOM 645 O LEU A 41 -1.831 7.900 -6.579 1.00 0.00 O ATOM 646 CB LEU A 41 -0.813 5.098 -6.026 1.00 0.00 C ATOM 647 CG LEU A 41 0.014 3.851 -5.904 1.00 0.00 C ATOM 648 CD1 LEU A 41 -0.968 2.676 -5.707 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.762 3.699 -7.217 1.00 0.00 C ATOM 0 H LEU A 41 -0.685 7.674 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 41 1.020 6.350 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.571 5.086 -5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.340 5.070 -6.980 1.00 0.00 H new ATOM 0 HG LEU A 41 0.719 3.882 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.408 1.746 -5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.554 2.839 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.636 2.612 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.382 2.803 -7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.047 3.613 -8.035 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.395 4.572 -7.378 1.00 0.00 H new ATOM 661 N ASN A 42 -0.331 7.153 -8.164 1.00 0.00 N ATOM 662 CA ASN A 42 -1.104 7.719 -9.254 1.00 0.00 C ATOM 663 C ASN A 42 -1.460 9.218 -9.095 1.00 0.00 C ATOM 664 O ASN A 42 -2.501 9.659 -9.561 1.00 0.00 O ATOM 665 CB ASN A 42 -2.344 6.787 -9.379 1.00 0.00 C ATOM 666 CG ASN A 42 -2.586 6.360 -10.823 1.00 0.00 C ATOM 667 OD1 ASN A 42 -3.143 7.079 -11.639 1.00 0.00 O ATOM 668 ND2 ASN A 42 -2.076 5.142 -11.065 1.00 0.00 N ATOM 0 H ASN A 42 0.556 6.717 -8.416 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.517 7.744 -10.172 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.199 5.903 -8.758 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.226 7.302 -8.999 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.136 4.741 -12.001 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.628 4.618 -10.313 1.00 0.00 H new ATOM 675 N GLY A 43 -0.592 9.957 -8.365 1.00 0.00 N ATOM 676 CA GLY A 43 -0.846 11.390 -8.168 1.00 0.00 C ATOM 677 C GLY A 43 -1.845 11.713 -7.040 1.00 0.00 C ATOM 678 O GLY A 43 -2.315 12.838 -6.926 1.00 0.00 O ATOM 0 H GLY A 43 0.254 9.598 -7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.100 11.887 -7.952 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.222 11.811 -9.101 1.00 0.00 H new ATOM 682 N LYS A 44 -2.168 10.684 -6.229 1.00 0.00 N ATOM 683 CA LYS A 44 -3.096 10.814 -5.109 1.00 0.00 C ATOM 684 C LYS A 44 -2.568 10.042 -3.889 1.00 0.00 C ATOM 685 O LYS A 44 -1.523 9.409 -3.913 1.00 0.00 O ATOM 686 CB LYS A 44 -4.468 10.285 -5.563 1.00 0.00 C ATOM 687 CG LYS A 44 -5.204 11.334 -6.402 1.00 0.00 C ATOM 688 CD LYS A 44 -5.915 12.390 -5.542 1.00 0.00 C ATOM 689 CE LYS A 44 -7.441 12.268 -5.605 1.00 0.00 C ATOM 690 NZ LYS A 44 -7.980 11.379 -4.580 1.00 0.00 N ATOM 0 H LYS A 44 -1.788 9.744 -6.340 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.194 11.857 -4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.337 9.373 -6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.068 10.023 -4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.492 11.829 -7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.936 10.836 -7.038 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.588 12.291 -4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.619 13.385 -5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.885 13.257 -5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.731 11.899 -6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.015 11.334 -4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.580 10.427 -4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.729 11.742 -3.638 1.00 0.00 H new ATOM 704 N ASP A 45 -3.414 10.097 -2.848 1.00 0.00 N ATOM 705 CA ASP A 45 -3.139 9.458 -1.576 1.00 0.00 C ATOM 706 C ASP A 45 -4.482 8.907 -1.095 1.00 0.00 C ATOM 707 O ASP A 45 -5.501 9.589 -1.141 1.00 0.00 O ATOM 708 CB ASP A 45 -2.626 10.501 -0.563 1.00 0.00 C ATOM 709 CG ASP A 45 -2.131 9.851 0.749 1.00 0.00 C ATOM 710 OD1 ASP A 45 -1.324 8.932 0.692 1.00 0.00 O ATOM 711 OD2 ASP A 45 -2.562 10.267 1.823 1.00 0.00 O ATOM 0 H ASP A 45 -4.307 10.590 -2.877 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.383 8.679 -1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.813 11.071 -1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.424 11.208 -0.337 1.00 0.00 H new ATOM 716 N GLY A 46 -4.431 7.643 -0.658 1.00 0.00 N ATOM 717 CA GLY A 46 -5.680 7.033 -0.220 1.00 0.00 C ATOM 718 C GLY A 46 -5.453 5.667 0.405 1.00 0.00 C ATOM 719 O GLY A 46 -4.356 5.122 0.384 1.00 0.00 O ATOM 0 H GLY A 46 -3.596 7.060 -0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.170 7.686 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.355 6.936 -1.071 1.00 0.00 H new ATOM 723 N PHE A 47 -6.576 5.150 0.937 1.00 0.00 N ATOM 724 CA PHE A 47 -6.542 3.840 1.564 1.00 0.00 C ATOM 725 C PHE A 47 -6.540 2.713 0.485 1.00 0.00 C ATOM 726 O PHE A 47 -7.110 2.818 -0.597 1.00 0.00 O ATOM 727 CB PHE A 47 -7.741 3.703 2.532 1.00 0.00 C ATOM 728 CG PHE A 47 -7.736 4.702 3.680 1.00 0.00 C ATOM 729 CD1 PHE A 47 -6.853 4.601 4.740 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.624 5.756 3.701 1.00 0.00 C ATOM 731 CE1 PHE A 47 -6.852 5.531 5.764 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.627 6.685 4.713 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.753 6.568 5.761 1.00 0.00 C ATOM 0 H PHE A 47 -7.486 5.611 0.941 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.622 3.735 2.138 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.665 3.822 1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.747 2.694 2.944 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.151 3.781 4.769 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.339 5.854 2.898 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.139 5.441 6.570 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.322 7.511 4.682 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.772 7.280 6.573 1.00 0.00 H new ATOM 743 N ILE A 48 -5.821 1.642 0.891 1.00 0.00 N ATOM 744 CA ILE A 48 -5.666 0.411 0.120 1.00 0.00 C ATOM 745 C ILE A 48 -5.645 -0.762 1.120 1.00 0.00 C ATOM 746 O ILE A 48 -5.087 -0.619 2.201 1.00 0.00 O ATOM 747 CB ILE A 48 -4.393 0.487 -0.731 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.175 0.963 0.085 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.624 1.444 -1.908 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.825 0.660 -0.567 1.00 0.00 C ATOM 0 H ILE A 48 -5.327 1.620 1.783 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.492 0.264 -0.576 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.176 -0.518 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.256 2.038 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.204 0.493 1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.720 1.500 -2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.449 1.077 -2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.867 2.436 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.022 1.028 0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.719 -0.417 -0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.771 1.153 -1.538 1.00 0.00 H new ATOM 762 N PRO A 49 -6.222 -1.943 0.744 1.00 0.00 N ATOM 763 CA PRO A 49 -6.275 -3.071 1.672 1.00 0.00 C ATOM 764 C PRO A 49 -4.981 -3.877 1.776 1.00 0.00 C ATOM 765 O PRO A 49 -4.380 -4.243 0.776 1.00 0.00 O ATOM 766 CB PRO A 49 -7.393 -3.956 1.140 1.00 0.00 C ATOM 767 CG PRO A 49 -7.522 -3.621 -0.344 1.00 0.00 C ATOM 768 CD PRO A 49 -6.908 -2.237 -0.532 1.00 0.00 C ATOM 0 HA PRO A 49 -6.439 -2.699 2.683 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.158 -5.011 1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.328 -3.763 1.667 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.005 -4.361 -0.955 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.567 -3.627 -0.653 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.208 -2.227 -1.367 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.674 -1.492 -0.749 1.00 0.00 H new ATOM 776 N LYS A 50 -4.658 -4.245 3.038 1.00 0.00 N ATOM 777 CA LYS A 50 -3.428 -4.984 3.240 1.00 0.00 C ATOM 778 C LYS A 50 -3.502 -6.434 2.715 1.00 0.00 C ATOM 779 O LYS A 50 -2.506 -6.878 2.177 1.00 0.00 O ATOM 780 CB LYS A 50 -2.885 -4.859 4.650 1.00 0.00 C ATOM 781 CG LYS A 50 -3.711 -5.587 5.681 1.00 0.00 C ATOM 782 CD LYS A 50 -3.087 -6.882 6.196 1.00 0.00 C ATOM 783 CE LYS A 50 -3.976 -7.639 7.152 1.00 0.00 C ATOM 784 NZ LYS A 50 -3.511 -9.007 7.346 1.00 0.00 N ATOM 0 H LYS A 50 -5.206 -4.049 3.875 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.678 -4.501 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.866 -5.246 4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.832 -3.804 4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.883 -4.921 6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.686 -5.815 5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.849 -7.524 5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.146 -6.650 6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.002 -7.123 8.112 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.996 -7.652 6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.145 -9.498 8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.510 -9.506 6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.546 -8.994 7.735 1.00 0.00 H new ATOM 798 N ASN A 51 -4.649 -7.173 2.781 1.00 0.00 N ATOM 799 CA ASN A 51 -4.506 -8.524 2.179 1.00 0.00 C ATOM 800 C ASN A 51 -4.192 -8.476 0.650 1.00 0.00 C ATOM 801 O ASN A 51 -3.724 -9.466 0.112 1.00 0.00 O ATOM 802 CB ASN A 51 -5.616 -9.549 2.507 1.00 0.00 C ATOM 803 CG ASN A 51 -7.086 -9.107 2.416 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.797 -9.069 3.411 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.504 -8.796 1.181 1.00 0.00 N ATOM 0 H ASN A 51 -5.550 -6.910 3.180 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.631 -8.919 2.695 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.486 -10.401 1.839 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.442 -9.910 3.521 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.470 -8.506 1.027 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.856 -8.850 0.395 1.00 0.00 H new ATOM 812 N TYR A 52 -4.312 -7.268 0.031 1.00 0.00 N ATOM 813 CA TYR A 52 -4.005 -7.095 -1.401 1.00 0.00 C ATOM 814 C TYR A 52 -2.535 -6.609 -1.547 1.00 0.00 C ATOM 815 O TYR A 52 -2.028 -6.681 -2.648 1.00 0.00 O ATOM 816 CB TYR A 52 -4.931 -6.030 -2.069 1.00 0.00 C ATOM 817 CG TYR A 52 -6.259 -6.582 -2.532 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.101 -7.198 -1.640 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.677 -6.495 -3.846 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.291 -7.776 -2.056 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.879 -7.040 -4.274 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.738 -7.696 -3.377 1.00 0.00 C ATOM 823 OH TYR A 52 -9.995 -8.294 -3.644 1.00 0.00 O ATOM 0 H TYR A 52 -4.616 -6.416 0.502 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.163 -8.055 -1.893 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.111 -5.222 -1.359 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.412 -5.594 -2.923 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.832 -7.233 -0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.048 -5.987 -4.562 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.893 -8.307 -1.333 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.159 -6.958 -5.314 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.058 -9.150 -3.170 1.00 0.00 H new ATOM 833 N ILE A 53 -1.872 -6.126 -0.466 1.00 0.00 N ATOM 834 CA ILE A 53 -0.459 -5.690 -0.582 1.00 0.00 C ATOM 835 C ILE A 53 0.397 -6.249 0.588 1.00 0.00 C ATOM 836 O ILE A 53 -0.086 -6.608 1.651 1.00 0.00 O ATOM 837 CB ILE A 53 -0.335 -4.154 -0.768 1.00 0.00 C ATOM 838 CG1 ILE A 53 1.047 -3.555 -0.571 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.381 -3.362 -0.030 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.330 -3.161 0.843 1.00 0.00 C ATOM 0 H ILE A 53 -2.277 -6.031 0.465 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.046 -6.121 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.530 -4.054 -1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.797 -4.277 -0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.149 -2.679 -1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.226 -2.298 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.371 -3.650 -0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.304 -3.564 1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.334 -2.741 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.603 -2.416 1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.260 -4.038 1.486 1.00 0.00 H new ATOM 852 N GLU A 54 1.717 -6.245 0.326 1.00 0.00 N ATOM 853 CA GLU A 54 2.731 -6.680 1.277 1.00 0.00 C ATOM 854 C GLU A 54 3.727 -5.516 1.365 1.00 0.00 C ATOM 855 O GLU A 54 3.968 -4.804 0.401 1.00 0.00 O ATOM 856 CB GLU A 54 3.468 -7.938 0.779 1.00 0.00 C ATOM 857 CG GLU A 54 4.767 -8.203 1.567 1.00 0.00 C ATOM 858 CD GLU A 54 5.402 -9.561 1.237 1.00 0.00 C ATOM 859 OE1 GLU A 54 4.809 -10.584 1.579 1.00 0.00 O ATOM 860 OE2 GLU A 54 6.484 -9.583 0.651 1.00 0.00 O ATOM 0 H GLU A 54 2.104 -5.934 -0.565 1.00 0.00 H new ATOM 0 HA GLU A 54 2.280 -6.931 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.809 -8.802 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.704 -7.824 -0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.484 -7.411 1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.553 -8.158 2.635 1.00 0.00 H new ATOM 867 N MET A 55 4.258 -5.337 2.586 1.00 0.00 N ATOM 868 CA MET A 55 5.221 -4.272 2.834 1.00 0.00 C ATOM 869 C MET A 55 6.637 -4.748 2.496 1.00 0.00 C ATOM 870 O MET A 55 6.927 -5.935 2.437 1.00 0.00 O ATOM 871 CB MET A 55 5.127 -3.767 4.273 1.00 0.00 C ATOM 872 CG MET A 55 3.684 -3.372 4.642 1.00 0.00 C ATOM 873 SD MET A 55 2.900 -4.509 5.818 1.00 0.00 S ATOM 874 CE MET A 55 2.102 -5.642 4.618 1.00 0.00 C ATOM 0 H MET A 55 4.036 -5.910 3.400 1.00 0.00 H new ATOM 0 HA MET A 55 4.982 -3.431 2.183 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.479 -4.541 4.955 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.784 -2.907 4.401 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.688 -2.368 5.067 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.083 -3.331 3.733 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.124 -5.942 4.996 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.981 -5.133 3.662 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.725 -6.526 4.482 1.00 0.00 H new ATOM 943 N PRO B 2 -9.226 -12.296 -7.017 1.00 0.00 N ATOM 944 CA PRO B 2 -8.557 -11.862 -5.811 1.00 0.00 C ATOM 945 C PRO B 2 -9.363 -12.009 -4.471 1.00 0.00 C ATOM 946 O PRO B 2 -10.577 -12.192 -4.454 1.00 0.00 O ATOM 947 CB PRO B 2 -8.095 -10.435 -6.095 1.00 0.00 C ATOM 948 CG PRO B 2 -8.517 -10.050 -7.521 1.00 0.00 C ATOM 949 CD PRO B 2 -9.280 -11.256 -8.057 1.00 0.00 C ATOM 0 HA PRO B 2 -7.723 -12.532 -5.604 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.534 -9.746 -5.373 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -7.013 -10.361 -5.989 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -9.144 -9.158 -7.518 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -7.649 -9.827 -8.141 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -10.313 -10.990 -8.283 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -8.833 -11.614 -8.984 1.00 0.00 H new ATOM 957 N PRO B 3 -8.584 -11.914 -3.345 1.00 0.00 N ATOM 958 CA PRO B 3 -9.096 -12.002 -1.966 1.00 0.00 C ATOM 959 C PRO B 3 -10.291 -11.121 -1.563 1.00 0.00 C ATOM 960 O PRO B 3 -10.575 -10.095 -2.148 1.00 0.00 O ATOM 961 CB PRO B 3 -7.899 -11.533 -1.106 1.00 0.00 C ATOM 962 CG PRO B 3 -6.641 -11.743 -1.945 1.00 0.00 C ATOM 963 CD PRO B 3 -7.112 -11.890 -3.391 1.00 0.00 C ATOM 0 HA PRO B 3 -9.470 -13.018 -1.838 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -8.009 -10.484 -0.831 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.844 -12.102 -0.178 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.959 -10.899 -1.842 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.100 -12.632 -1.620 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.755 -11.061 -4.002 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.722 -12.805 -3.836 1.00 0.00 H new ATOM 971 N PRO B 4 -10.968 -11.533 -0.461 1.00 0.00 N ATOM 972 CA PRO B 4 -12.073 -10.746 0.087 1.00 0.00 C ATOM 973 C PRO B 4 -11.446 -9.560 0.813 1.00 0.00 C ATOM 974 O PRO B 4 -10.809 -9.710 1.848 1.00 0.00 O ATOM 975 CB PRO B 4 -12.709 -11.667 1.147 1.00 0.00 C ATOM 976 CG PRO B 4 -11.665 -12.751 1.458 1.00 0.00 C ATOM 977 CD PRO B 4 -10.672 -12.744 0.295 1.00 0.00 C ATOM 0 HA PRO B 4 -12.788 -10.406 -0.662 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -12.967 -11.106 2.045 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.631 -12.111 0.773 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.159 -12.543 2.401 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.138 -13.728 1.558 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.644 -12.740 0.657 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.788 -13.633 -0.326 1.00 0.00 H new ATOM 985 N VAL B 5 -11.705 -8.380 0.224 1.00 0.00 N ATOM 986 CA VAL B 5 -11.173 -7.168 0.813 1.00 0.00 C ATOM 987 C VAL B 5 -11.681 -7.025 2.271 1.00 0.00 C ATOM 988 O VAL B 5 -12.798 -7.430 2.577 1.00 0.00 O ATOM 989 CB VAL B 5 -11.581 -5.968 -0.014 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.704 -4.774 0.350 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.505 -6.123 -1.530 1.00 0.00 C ATOM 0 H VAL B 5 -12.257 -8.253 -0.624 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.084 -7.223 0.827 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.635 -5.836 0.232 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -10.999 -3.911 -0.246 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.825 -4.543 1.408 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.660 -5.014 0.149 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.823 -5.196 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.479 -6.348 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.159 -6.936 -1.846 1.00 0.00 H new ATOM 1001 N PRO B 6 -10.815 -6.499 3.177 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.226 -6.316 4.555 1.00 0.00 C ATOM 1003 C PRO B 6 -12.414 -5.362 4.732 1.00 0.00 C ATOM 1004 O PRO B 6 -12.589 -4.417 3.972 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.000 -5.699 5.232 1.00 0.00 C ATOM 1006 CG PRO B 6 -8.796 -5.939 4.332 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.393 -6.238 2.965 1.00 0.00 C ATOM 0 HA PRO B 6 -11.555 -7.268 4.971 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.150 -4.631 5.392 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -9.839 -6.148 6.212 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.146 -5.065 4.298 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.192 -6.772 4.692 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.251 -5.396 2.288 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -8.905 -7.100 2.509 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.214 -5.619 5.807 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.336 -4.734 6.106 1.00 0.00 C ATOM 1017 C PRO B 7 -13.756 -3.372 6.545 1.00 0.00 C ATOM 1018 O PRO B 7 -13.168 -3.257 7.613 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.060 -5.405 7.287 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.174 -6.568 7.770 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.056 -6.738 6.738 1.00 0.00 C ATOM 0 HA PRO B 7 -15.007 -4.575 5.262 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.226 -4.689 8.092 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.039 -5.771 6.979 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -13.760 -6.354 8.755 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -14.757 -7.485 7.862 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.076 -6.718 7.214 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.140 -7.694 6.221 1.00 0.00 H new ATOM 1029 N ARG B 8 -13.973 -2.353 5.681 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.427 -1.030 6.012 1.00 0.00 C ATOM 1031 C ARG B 8 -14.407 -0.416 7.005 1.00 0.00 C ATOM 1032 O ARG B 8 -15.440 0.125 6.640 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.189 -0.066 4.822 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.555 -0.530 3.407 1.00 0.00 C ATOM 1035 CD ARG B 8 -14.695 0.270 2.748 1.00 0.00 C ATOM 1036 NE ARG B 8 -15.827 0.422 3.661 1.00 0.00 N ATOM 1037 CZ ARG B 8 -17.012 -0.205 3.545 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -17.259 -1.069 2.568 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -17.954 0.053 4.440 1.00 0.00 N ATOM 0 H ARG B 8 -14.490 -2.417 4.804 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.423 -1.175 6.410 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -13.746 0.849 5.023 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -12.132 0.199 4.819 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -12.669 -0.463 2.776 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -13.841 -1.581 3.445 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -14.329 1.253 2.451 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -15.022 -0.237 1.840 1.00 0.00 H new ATOM 0 HE ARG B 8 -15.709 1.056 4.451 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -16.539 -1.275 1.876 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -18.169 -1.527 2.510 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -17.773 0.714 5.195 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -18.861 -0.409 4.374 1.00 0.00 H new