USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 CYS SG : rot -8:sc= -2.43! USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 50 HIS : no HE2:sc= -2.42! C(o=-4.9!,f=-19!) USER MOD Set 2.1: A 26 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Set 2.2: A 30 MET CE :methyl 160:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -145:sc= -0.211 (180deg=-1.34) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 TYR OH : rot 50:sc= 0.201 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 140:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-0.74) USER MOD Single : A 34 HIS : no HE2:sc= -2.35! C(o=-2.4!,f=-2.9!) USER MOD Single : A 37 LYS NZ :NH3+ 148:sc= 1.04 (180deg=0.388) USER MOD Single : A 40 HIS : no HD1:sc= -0.742 K(o=-0.74,f=-0.12) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.23 K(o=-1.2,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= 0.486 (180deg=0.217) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.157 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -110:sc= 0.225 USER MOD Single : A 78 SER OG : rot -156:sc= -1.95! USER MOD Single : A 80 LYS NZ :NH3+ -158:sc= 0.0266 (180deg=0.000499) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -1.9! K(o=-1.9!,f=-0.74) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 50:sc= 1.11 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.754 USER MOD Single : A 94 SER OG : rot 94:sc= 0.482 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 7 -1.310 -13.133 4.110 1.00 0.00 N ATOM 84 CA LYS A 7 -2.430 -12.553 3.345 1.00 0.00 C ATOM 85 C LYS A 7 -3.738 -13.236 3.794 1.00 0.00 C ATOM 86 O LYS A 7 -4.713 -13.311 3.032 1.00 0.00 O ATOM 87 CB LYS A 7 -2.183 -12.811 1.830 1.00 0.00 C ATOM 88 CG LYS A 7 -0.893 -12.180 1.250 1.00 0.00 C ATOM 89 CD LYS A 7 -0.382 -12.872 -0.050 1.00 0.00 C ATOM 90 CE LYS A 7 -1.374 -12.840 -1.238 1.00 0.00 C ATOM 91 NZ LYS A 7 -2.503 -13.804 -1.099 1.00 0.00 N ATOM 0 HA LYS A 7 -2.505 -11.480 3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.147 -13.888 1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.037 -12.430 1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.078 -11.126 1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.108 -12.222 2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.547 -12.393 -0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.144 -13.911 0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.778 -11.832 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.833 -13.058 -2.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.758 -14.177 -2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.215 -14.589 -0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.324 -13.319 -0.684 1.00 0.00 H new ATOM 105 N ILE A 8 -3.747 -13.697 5.055 1.00 0.00 N ATOM 106 CA ILE A 8 -4.787 -14.599 5.578 1.00 0.00 C ATOM 107 C ILE A 8 -6.165 -13.921 5.605 1.00 0.00 C ATOM 108 O ILE A 8 -7.145 -14.433 5.048 1.00 0.00 O ATOM 109 CB ILE A 8 -4.416 -15.056 7.034 1.00 0.00 C ATOM 110 CG1 ILE A 8 -3.079 -15.861 7.056 1.00 0.00 C ATOM 111 CG2 ILE A 8 -5.564 -15.854 7.680 1.00 0.00 C ATOM 112 CD1 ILE A 8 -2.672 -16.375 8.432 1.00 0.00 C ATOM 0 H ILE A 8 -3.033 -13.455 5.742 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.838 -15.461 4.912 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.265 -14.157 7.631 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.169 -16.709 6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.282 -15.227 6.669 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.276 -16.156 8.687 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.457 -15.231 7.729 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.773 -16.741 7.081 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.733 -16.922 8.353 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.545 -15.533 9.112 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.447 -17.038 8.816 1.00 0.00 H new ATOM 124 N PHE A 9 -6.195 -12.734 6.207 1.00 0.00 N ATOM 125 CA PHE A 9 -7.425 -11.972 6.426 1.00 0.00 C ATOM 126 C PHE A 9 -7.519 -10.820 5.401 1.00 0.00 C ATOM 127 O PHE A 9 -8.263 -9.870 5.611 1.00 0.00 O ATOM 128 CB PHE A 9 -7.463 -11.440 7.890 1.00 0.00 C ATOM 129 CG PHE A 9 -7.408 -12.503 9.000 1.00 0.00 C ATOM 130 CD1 PHE A 9 -8.442 -13.430 9.166 1.00 0.00 C ATOM 131 CD2 PHE A 9 -6.340 -12.554 9.902 1.00 0.00 C ATOM 132 CE1 PHE A 9 -8.404 -14.366 10.188 1.00 0.00 C ATOM 133 CE2 PHE A 9 -6.310 -13.487 10.926 1.00 0.00 C ATOM 134 CZ PHE A 9 -7.342 -14.389 11.068 1.00 0.00 C ATOM 0 H PHE A 9 -5.359 -12.269 6.560 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.289 -12.620 6.281 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.625 -10.757 8.028 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.375 -10.857 8.019 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.283 -13.416 8.488 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.524 -11.854 9.798 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.208 -15.079 10.295 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.477 -13.507 11.613 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.319 -15.114 11.868 1.00 0.00 H new ATOM 144 N LYS A 10 -6.735 -10.918 4.300 1.00 0.00 N ATOM 145 CA LYS A 10 -6.553 -9.830 3.301 1.00 0.00 C ATOM 146 C LYS A 10 -7.894 -9.255 2.787 1.00 0.00 C ATOM 147 O LYS A 10 -8.172 -8.057 2.938 1.00 0.00 O ATOM 148 CB LYS A 10 -5.693 -10.350 2.113 1.00 0.00 C ATOM 149 CG LYS A 10 -5.301 -9.274 1.079 1.00 0.00 C ATOM 150 CD LYS A 10 -4.389 -8.180 1.682 1.00 0.00 C ATOM 151 CE LYS A 10 -4.143 -7.017 0.715 1.00 0.00 C ATOM 152 NZ LYS A 10 -3.452 -7.443 -0.531 1.00 0.00 N ATOM 0 H LYS A 10 -6.206 -11.761 4.076 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.037 -9.011 3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.783 -10.800 2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.243 -11.141 1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.789 -9.748 0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.204 -8.811 0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.843 -7.797 2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.433 -8.623 1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.097 -6.556 0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.545 -6.255 1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.311 -6.618 -1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.529 -7.858 -0.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.032 -8.150 -1.025 1.00 0.00 H new ATOM 166 N ASN A 11 -8.719 -10.129 2.194 1.00 0.00 N ATOM 167 CA ASN A 11 -10.058 -9.774 1.667 1.00 0.00 C ATOM 168 C ASN A 11 -11.162 -10.092 2.700 1.00 0.00 C ATOM 169 O ASN A 11 -12.348 -10.156 2.357 1.00 0.00 O ATOM 170 CB ASN A 11 -10.309 -10.524 0.329 1.00 0.00 C ATOM 171 CG ASN A 11 -9.483 -9.958 -0.826 1.00 0.00 C ATOM 172 OD1 ASN A 11 -8.352 -10.369 -1.052 1.00 0.00 O ATOM 173 ND2 ASN A 11 -10.047 -8.999 -1.553 1.00 0.00 N ATOM 0 H ASN A 11 -8.480 -11.112 2.062 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.090 -8.701 1.478 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.070 -11.580 0.458 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.368 -10.465 0.077 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.535 -8.580 -2.329 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.992 -8.682 -1.335 1.00 0.00 H new ATOM 180 N CYS A 12 -10.750 -10.268 3.965 1.00 0.00 N ATOM 181 CA CYS A 12 -11.634 -10.605 5.088 1.00 0.00 C ATOM 182 C CYS A 12 -11.614 -9.466 6.127 1.00 0.00 C ATOM 183 O CYS A 12 -10.543 -9.056 6.616 1.00 0.00 O ATOM 184 CB CYS A 12 -11.175 -11.939 5.713 1.00 0.00 C ATOM 185 SG CYS A 12 -12.114 -12.456 7.155 1.00 0.00 S ATOM 0 H CYS A 12 -9.772 -10.178 4.240 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.659 -10.721 4.735 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.239 -12.720 4.956 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.125 -11.851 5.992 1.00 0.00 H new ATOM 0 HG CYS A 12 -12.920 -11.501 7.513 1.00 0.00 H new ATOM 191 N VAL A 13 -12.799 -8.922 6.429 1.00 0.00 N ATOM 192 CA VAL A 13 -12.978 -7.907 7.475 1.00 0.00 C ATOM 193 C VAL A 13 -13.555 -8.587 8.728 1.00 0.00 C ATOM 194 O VAL A 13 -14.558 -9.319 8.635 1.00 0.00 O ATOM 195 CB VAL A 13 -13.928 -6.749 7.004 1.00 0.00 C ATOM 196 CG1 VAL A 13 -14.012 -5.631 8.070 1.00 0.00 C ATOM 197 CG2 VAL A 13 -13.490 -6.181 5.631 1.00 0.00 C ATOM 0 H VAL A 13 -13.665 -9.174 5.953 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.009 -7.460 7.698 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.926 -7.170 6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.676 -4.842 7.718 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.401 -6.044 9.001 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.018 -5.218 8.243 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.169 -5.381 5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.477 -5.787 5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.516 -6.974 4.884 1.00 0.00 H new ATOM 207 N ILE A 14 -12.910 -8.372 9.896 1.00 0.00 N ATOM 208 CA ILE A 14 -13.297 -9.034 11.158 1.00 0.00 C ATOM 209 C ILE A 14 -13.634 -7.988 12.256 1.00 0.00 C ATOM 210 O ILE A 14 -12.799 -7.160 12.618 1.00 0.00 O ATOM 211 CB ILE A 14 -12.181 -10.018 11.700 1.00 0.00 C ATOM 212 CG1 ILE A 14 -11.740 -11.088 10.640 1.00 0.00 C ATOM 213 CG2 ILE A 14 -12.646 -10.718 12.997 1.00 0.00 C ATOM 214 CD1 ILE A 14 -10.727 -10.611 9.623 1.00 0.00 C ATOM 0 H ILE A 14 -12.114 -7.741 9.989 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.183 -9.625 10.928 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.309 -9.400 11.915 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.325 -11.947 11.167 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.626 -11.437 10.110 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.862 -11.389 13.350 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.853 -9.968 13.761 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.551 -11.291 12.797 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.489 -11.424 8.937 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.141 -9.773 9.062 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.820 -10.292 10.136 1.00 0.00 H new ATOM 226 N TYR A 15 -14.859 -8.090 12.796 1.00 0.00 N ATOM 227 CA TYR A 15 -15.360 -7.293 13.933 1.00 0.00 C ATOM 228 C TYR A 15 -15.362 -8.184 15.174 1.00 0.00 C ATOM 229 O TYR A 15 -15.480 -9.391 15.054 1.00 0.00 O ATOM 230 CB TYR A 15 -16.797 -6.776 13.627 1.00 0.00 C ATOM 231 CG TYR A 15 -17.554 -6.115 14.800 1.00 0.00 C ATOM 232 CD1 TYR A 15 -17.029 -5.008 15.472 1.00 0.00 C ATOM 233 CD2 TYR A 15 -18.798 -6.600 15.230 1.00 0.00 C ATOM 234 CE1 TYR A 15 -17.709 -4.422 16.520 1.00 0.00 C ATOM 235 CE2 TYR A 15 -19.479 -6.007 16.276 1.00 0.00 C ATOM 236 CZ TYR A 15 -18.932 -4.920 16.918 1.00 0.00 C ATOM 237 OH TYR A 15 -19.606 -4.325 17.964 1.00 0.00 O ATOM 0 H TYR A 15 -15.552 -8.750 12.444 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.720 -6.427 14.102 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -16.734 -6.055 12.812 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -17.392 -7.615 13.266 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -16.075 -4.604 15.166 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -19.233 -7.455 14.733 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -17.282 -3.571 17.030 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -20.437 -6.395 16.588 1.00 0.00 H new ATOM 0 HH TYR A 15 -19.645 -3.357 17.819 1.00 0.00 H new ATOM 247 N ILE A 16 -15.189 -7.579 16.360 1.00 0.00 N ATOM 248 CA ILE A 16 -15.209 -8.297 17.644 1.00 0.00 C ATOM 249 C ILE A 16 -16.383 -7.778 18.492 1.00 0.00 C ATOM 250 O ILE A 16 -16.541 -6.566 18.665 1.00 0.00 O ATOM 251 CB ILE A 16 -13.838 -8.132 18.390 1.00 0.00 C ATOM 252 CG1 ILE A 16 -12.676 -8.678 17.491 1.00 0.00 C ATOM 253 CG2 ILE A 16 -13.859 -8.826 19.775 1.00 0.00 C ATOM 254 CD1 ILE A 16 -11.291 -8.532 18.075 1.00 0.00 C ATOM 0 H ILE A 16 -15.031 -6.576 16.455 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.351 -9.363 17.468 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.667 -7.071 18.572 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.859 -9.733 17.289 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.705 -8.160 16.532 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.894 -8.692 20.264 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.642 -8.385 20.391 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -14.055 -9.890 19.646 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.558 -8.939 17.379 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.079 -7.477 18.250 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.235 -9.075 19.019 1.00 0.00 H new ATOM 266 N ASN A 17 -17.184 -8.714 19.020 1.00 0.00 N ATOM 267 CA ASN A 17 -18.469 -8.432 19.686 1.00 0.00 C ATOM 268 C ASN A 17 -18.577 -9.259 20.982 1.00 0.00 C ATOM 269 O ASN A 17 -18.467 -10.491 20.949 1.00 0.00 O ATOM 270 CB ASN A 17 -19.628 -8.788 18.714 1.00 0.00 C ATOM 271 CG ASN A 17 -21.037 -8.494 19.241 1.00 0.00 C ATOM 272 OD1 ASN A 17 -21.256 -7.561 20.018 1.00 0.00 O ATOM 273 ND2 ASN A 17 -22.008 -9.295 18.811 1.00 0.00 N ATOM 0 H ASN A 17 -16.955 -9.708 18.997 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.530 -7.375 19.947 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.483 -8.237 17.785 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.563 -9.848 18.470 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.967 -9.147 19.124 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.793 -10.058 18.169 1.00 0.00 H new ATOM 280 N GLY A 18 -18.793 -8.564 22.111 1.00 0.00 N ATOM 281 CA GLY A 18 -18.931 -9.205 23.426 1.00 0.00 C ATOM 282 C GLY A 18 -17.585 -9.538 24.067 1.00 0.00 C ATOM 283 O GLY A 18 -16.549 -8.981 23.673 1.00 0.00 O ATOM 0 H GLY A 18 -18.876 -7.548 22.137 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.491 -8.546 24.089 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.514 -10.120 23.320 1.00 0.00 H new ATOM 287 N TYR A 19 -17.604 -10.447 25.059 1.00 0.00 N ATOM 288 CA TYR A 19 -16.397 -10.867 25.793 1.00 0.00 C ATOM 289 C TYR A 19 -15.731 -12.037 25.059 1.00 0.00 C ATOM 290 O TYR A 19 -16.292 -13.138 25.001 1.00 0.00 O ATOM 291 CB TYR A 19 -16.775 -11.261 27.245 1.00 0.00 C ATOM 292 CG TYR A 19 -17.422 -10.108 28.036 1.00 0.00 C ATOM 293 CD1 TYR A 19 -16.642 -9.060 28.538 1.00 0.00 C ATOM 294 CD2 TYR A 19 -18.802 -10.050 28.265 1.00 0.00 C ATOM 295 CE1 TYR A 19 -17.208 -8.011 29.237 1.00 0.00 C ATOM 296 CE2 TYR A 19 -19.368 -8.995 28.966 1.00 0.00 C ATOM 297 CZ TYR A 19 -18.566 -7.981 29.450 1.00 0.00 C ATOM 298 OH TYR A 19 -19.130 -6.933 30.150 1.00 0.00 O ATOM 0 H TYR A 19 -18.456 -10.911 25.374 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.688 -10.041 25.839 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.463 -12.106 27.218 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.880 -11.595 27.769 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.574 -9.071 28.375 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.436 -10.839 27.890 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.584 -7.215 29.616 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.435 -8.967 29.133 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.099 -7.064 30.211 1.00 0.00 H new ATOM 308 N THR A 20 -14.548 -11.776 24.472 1.00 0.00 N ATOM 309 CA THR A 20 -13.784 -12.758 23.685 1.00 0.00 C ATOM 310 C THR A 20 -12.307 -12.714 24.114 1.00 0.00 C ATOM 311 O THR A 20 -11.742 -11.621 24.264 1.00 0.00 O ATOM 312 CB THR A 20 -13.889 -12.448 22.152 1.00 0.00 C ATOM 313 OG1 THR A 20 -13.315 -11.157 21.866 1.00 0.00 O ATOM 314 CG2 THR A 20 -15.348 -12.462 21.655 1.00 0.00 C ATOM 0 H THR A 20 -14.092 -10.866 24.533 1.00 0.00 H new ATOM 0 HA THR A 20 -14.199 -13.749 23.868 1.00 0.00 H new ATOM 0 HB THR A 20 -13.340 -13.233 21.631 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.808 -11.203 21.029 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.371 -12.242 20.588 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.783 -13.445 21.832 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.923 -11.708 22.193 1.00 0.00 H new ATOM 322 N LYS A 21 -11.686 -13.898 24.325 1.00 0.00 N ATOM 323 CA LYS A 21 -10.262 -13.994 24.722 1.00 0.00 C ATOM 324 C LYS A 21 -9.407 -14.732 23.663 1.00 0.00 C ATOM 325 O LYS A 21 -9.855 -15.738 23.107 1.00 0.00 O ATOM 326 CB LYS A 21 -10.098 -14.617 26.132 1.00 0.00 C ATOM 327 CG LYS A 21 -10.730 -13.766 27.254 1.00 0.00 C ATOM 328 CD LYS A 21 -10.169 -12.318 27.291 1.00 0.00 C ATOM 329 CE LYS A 21 -10.935 -11.408 28.258 1.00 0.00 C ATOM 330 NZ LYS A 21 -10.801 -11.844 29.674 1.00 0.00 N ATOM 0 H LYS A 21 -12.150 -14.801 24.227 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.882 -12.974 24.775 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.551 -15.608 26.138 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.037 -14.751 26.341 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.810 -13.730 27.113 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.550 -14.247 28.215 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.119 -12.348 27.582 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.210 -11.892 26.289 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.568 -10.386 28.159 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.990 -11.396 27.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.336 -11.198 30.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.175 -12.809 29.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.798 -11.831 29.948 1.00 0.00 H new ATOM 344 N PRO A 22 -8.140 -14.247 23.363 1.00 0.00 N ATOM 345 CA PRO A 22 -7.483 -13.088 24.054 1.00 0.00 C ATOM 346 C PRO A 22 -8.155 -11.731 23.711 1.00 0.00 C ATOM 347 O PRO A 22 -9.016 -11.682 22.831 1.00 0.00 O ATOM 348 CB PRO A 22 -6.026 -13.162 23.541 1.00 0.00 C ATOM 349 CG PRO A 22 -6.158 -13.754 22.170 1.00 0.00 C ATOM 350 CD PRO A 22 -7.261 -14.791 22.293 1.00 0.00 C ATOM 0 HA PRO A 22 -7.560 -13.146 25.140 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.563 -12.176 23.508 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.406 -13.783 24.187 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.414 -12.992 21.434 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.223 -14.210 21.845 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.802 -14.913 21.355 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.862 -15.769 22.561 1.00 0.00 H new ATOM 358 N GLY A 23 -7.755 -10.666 24.435 1.00 0.00 N ATOM 359 CA GLY A 23 -8.443 -9.362 24.397 1.00 0.00 C ATOM 360 C GLY A 23 -8.701 -8.831 22.988 1.00 0.00 C ATOM 361 O GLY A 23 -7.921 -9.111 22.079 1.00 0.00 O ATOM 0 H GLY A 23 -6.949 -10.686 25.060 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.395 -9.451 24.920 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.846 -8.633 24.944 1.00 0.00 H new ATOM 365 N ARG A 24 -9.801 -8.069 22.823 1.00 0.00 N ATOM 366 CA ARG A 24 -10.217 -7.493 21.522 1.00 0.00 C ATOM 367 C ARG A 24 -9.077 -6.708 20.841 1.00 0.00 C ATOM 368 O ARG A 24 -8.948 -6.739 19.619 1.00 0.00 O ATOM 369 CB ARG A 24 -11.480 -6.609 21.708 1.00 0.00 C ATOM 370 CG ARG A 24 -11.330 -5.475 22.746 1.00 0.00 C ATOM 371 CD ARG A 24 -12.615 -4.653 22.930 1.00 0.00 C ATOM 372 NE ARG A 24 -12.426 -3.565 23.910 1.00 0.00 N ATOM 373 CZ ARG A 24 -13.368 -3.074 24.727 1.00 0.00 C ATOM 374 NH1 ARG A 24 -14.605 -3.564 24.728 1.00 0.00 N ATOM 375 NH2 ARG A 24 -13.064 -2.079 25.542 1.00 0.00 N ATOM 0 H ARG A 24 -10.431 -7.833 23.590 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.464 -8.319 20.856 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.743 -6.169 20.746 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.312 -7.247 22.005 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.040 -5.904 23.705 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.522 -4.812 22.436 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.919 -4.232 21.972 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.422 -5.307 23.262 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.496 -3.150 23.971 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.851 -4.328 24.099 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.307 -3.176 25.358 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.120 -1.692 25.545 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.773 -1.698 26.168 1.00 0.00 H new ATOM 389 N LEU A 25 -8.261 -6.021 21.655 1.00 0.00 N ATOM 390 CA LEU A 25 -7.062 -5.308 21.183 1.00 0.00 C ATOM 391 C LEU A 25 -6.022 -6.284 20.561 1.00 0.00 C ATOM 392 O LEU A 25 -5.452 -5.995 19.508 1.00 0.00 O ATOM 393 CB LEU A 25 -6.470 -4.427 22.341 1.00 0.00 C ATOM 394 CG LEU A 25 -6.207 -5.110 23.749 1.00 0.00 C ATOM 395 CD1 LEU A 25 -4.889 -5.914 23.805 1.00 0.00 C ATOM 396 CD2 LEU A 25 -6.250 -4.076 24.899 1.00 0.00 C ATOM 0 H LEU A 25 -8.413 -5.944 22.661 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.345 -4.633 20.376 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.525 -4.011 21.992 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.148 -3.588 22.500 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.020 -5.823 23.882 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.773 -6.354 24.796 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.914 -6.706 23.057 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.049 -5.250 23.602 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.066 -4.579 25.848 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.484 -3.318 24.736 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.231 -3.601 24.925 1.00 0.00 H new ATOM 408 N GLN A 26 -5.829 -7.457 21.203 1.00 0.00 N ATOM 409 CA GLN A 26 -4.834 -8.474 20.783 1.00 0.00 C ATOM 410 C GLN A 26 -5.285 -9.186 19.493 1.00 0.00 C ATOM 411 O GLN A 26 -4.514 -9.277 18.534 1.00 0.00 O ATOM 412 CB GLN A 26 -4.600 -9.510 21.924 1.00 0.00 C ATOM 413 CG GLN A 26 -3.608 -10.650 21.589 1.00 0.00 C ATOM 414 CD GLN A 26 -2.193 -10.158 21.246 1.00 0.00 C ATOM 415 OE1 GLN A 26 -1.871 -9.906 20.086 1.00 0.00 O ATOM 416 NE2 GLN A 26 -1.348 -10.017 22.254 1.00 0.00 N ATOM 0 H GLN A 26 -6.360 -7.728 22.031 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.893 -7.964 20.577 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.235 -8.980 22.804 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.559 -9.953 22.193 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.550 -11.331 22.439 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.998 -11.223 20.748 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.647 -10.235 23.205 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.397 -9.690 22.081 1.00 0.00 H new ATOM 425 N LEU A 27 -6.544 -9.685 19.491 1.00 0.00 N ATOM 426 CA LEU A 27 -7.159 -10.335 18.307 1.00 0.00 C ATOM 427 C LEU A 27 -7.102 -9.407 17.074 1.00 0.00 C ATOM 428 O LEU A 27 -6.728 -9.849 15.991 1.00 0.00 O ATOM 429 CB LEU A 27 -8.633 -10.730 18.588 1.00 0.00 C ATOM 430 CG LEU A 27 -8.882 -11.906 19.579 1.00 0.00 C ATOM 431 CD1 LEU A 27 -10.383 -12.018 19.942 1.00 0.00 C ATOM 432 CD2 LEU A 27 -8.345 -13.238 19.005 1.00 0.00 C ATOM 0 H LEU A 27 -7.159 -9.649 20.304 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.585 -11.238 18.099 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.150 -9.851 18.972 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.101 -10.986 17.637 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.333 -11.694 20.496 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.529 -12.847 20.635 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.714 -11.091 20.410 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.964 -12.195 19.037 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.532 -14.042 19.717 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.851 -13.460 18.066 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.273 -13.152 18.828 1.00 0.00 H new ATOM 444 N HIS A 28 -7.448 -8.112 17.276 1.00 0.00 N ATOM 445 CA HIS A 28 -7.404 -7.086 16.202 1.00 0.00 C ATOM 446 C HIS A 28 -5.984 -6.948 15.612 1.00 0.00 C ATOM 447 O HIS A 28 -5.837 -6.900 14.393 1.00 0.00 O ATOM 448 CB HIS A 28 -7.945 -5.705 16.693 1.00 0.00 C ATOM 449 CG HIS A 28 -9.453 -5.556 16.635 1.00 0.00 C ATOM 450 ND1 HIS A 28 -10.202 -4.987 17.643 1.00 0.00 N ATOM 451 CD2 HIS A 28 -10.335 -5.853 15.649 1.00 0.00 C ATOM 452 CE1 HIS A 28 -11.471 -4.939 17.279 1.00 0.00 C ATOM 453 NE2 HIS A 28 -11.580 -5.456 16.071 1.00 0.00 N ATOM 0 H HIS A 28 -7.762 -7.751 18.177 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.065 -7.430 15.406 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.618 -5.547 17.721 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.493 -4.918 16.090 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.101 -6.318 14.703 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.283 -4.543 17.871 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -12.445 -5.546 15.538 1.00 0.00 H new ATOM 462 N GLU A 29 -4.955 -6.928 16.479 1.00 0.00 N ATOM 463 CA GLU A 29 -3.544 -6.811 16.034 1.00 0.00 C ATOM 464 C GLU A 29 -3.102 -8.058 15.251 1.00 0.00 C ATOM 465 O GLU A 29 -2.394 -7.939 14.251 1.00 0.00 O ATOM 466 CB GLU A 29 -2.595 -6.557 17.235 1.00 0.00 C ATOM 467 CG GLU A 29 -2.796 -5.198 17.938 1.00 0.00 C ATOM 468 CD GLU A 29 -2.553 -3.976 17.027 1.00 0.00 C ATOM 469 OE1 GLU A 29 -3.501 -3.513 16.358 1.00 0.00 O ATOM 470 OE2 GLU A 29 -1.414 -3.468 16.984 1.00 0.00 O ATOM 0 H GLU A 29 -5.068 -6.991 17.491 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.483 -5.952 15.366 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.735 -7.353 17.966 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.564 -6.622 16.886 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.812 -5.150 18.329 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.122 -5.140 18.793 1.00 0.00 H new ATOM 477 N MET A 30 -3.549 -9.238 15.703 1.00 0.00 N ATOM 478 CA MET A 30 -3.282 -10.526 15.020 1.00 0.00 C ATOM 479 C MET A 30 -3.819 -10.505 13.573 1.00 0.00 C ATOM 480 O MET A 30 -3.174 -11.008 12.649 1.00 0.00 O ATOM 481 CB MET A 30 -3.916 -11.696 15.815 1.00 0.00 C ATOM 482 CG MET A 30 -3.229 -12.006 17.153 1.00 0.00 C ATOM 483 SD MET A 30 -1.513 -12.538 16.930 1.00 0.00 S ATOM 484 CE MET A 30 -1.025 -12.946 18.608 1.00 0.00 C ATOM 0 H MET A 30 -4.106 -9.334 16.552 1.00 0.00 H new ATOM 0 HA MET A 30 -2.203 -10.673 14.978 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.964 -11.463 16.005 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.896 -12.592 15.195 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.254 -11.120 17.787 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.785 -12.786 17.674 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.155 -13.602 18.585 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.775 -12.032 19.147 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.848 -13.452 19.113 1.00 0.00 H new ATOM 494 N ILE A 31 -5.001 -9.891 13.406 1.00 0.00 N ATOM 495 CA ILE A 31 -5.642 -9.696 12.094 1.00 0.00 C ATOM 496 C ILE A 31 -4.776 -8.806 11.181 1.00 0.00 C ATOM 497 O ILE A 31 -4.514 -9.164 10.025 1.00 0.00 O ATOM 498 CB ILE A 31 -7.081 -9.080 12.285 1.00 0.00 C ATOM 499 CG1 ILE A 31 -7.984 -10.052 13.116 1.00 0.00 C ATOM 500 CG2 ILE A 31 -7.749 -8.715 10.936 1.00 0.00 C ATOM 501 CD1 ILE A 31 -9.238 -9.420 13.701 1.00 0.00 C ATOM 0 H ILE A 31 -5.543 -9.513 14.183 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.740 -10.666 11.607 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.966 -8.148 12.839 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.279 -10.885 12.478 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.391 -10.468 13.930 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.738 -8.295 11.121 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.135 -7.982 10.413 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.845 -9.611 10.323 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.798 -10.171 14.259 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.957 -8.606 14.369 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.859 -9.030 12.895 1.00 0.00 H new ATOM 513 N VAL A 32 -4.309 -7.673 11.734 1.00 0.00 N ATOM 514 CA VAL A 32 -3.533 -6.670 10.976 1.00 0.00 C ATOM 515 C VAL A 32 -2.184 -7.257 10.493 1.00 0.00 C ATOM 516 O VAL A 32 -1.828 -7.123 9.318 1.00 0.00 O ATOM 517 CB VAL A 32 -3.258 -5.369 11.816 1.00 0.00 C ATOM 518 CG1 VAL A 32 -2.562 -4.307 10.940 1.00 0.00 C ATOM 519 CG2 VAL A 32 -4.551 -4.791 12.443 1.00 0.00 C ATOM 0 H VAL A 32 -4.456 -7.426 12.713 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.143 -6.399 10.114 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.599 -5.646 12.639 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.377 -3.411 11.533 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.614 -4.702 10.573 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.202 -4.057 10.094 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.309 -3.894 13.013 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.258 -4.539 11.652 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.997 -5.533 13.106 1.00 0.00 H new ATOM 529 N LEU A 33 -1.467 -7.922 11.417 1.00 0.00 N ATOM 530 CA LEU A 33 -0.143 -8.537 11.150 1.00 0.00 C ATOM 531 C LEU A 33 -0.234 -9.618 10.060 1.00 0.00 C ATOM 532 O LEU A 33 0.699 -9.791 9.271 1.00 0.00 O ATOM 533 CB LEU A 33 0.476 -9.117 12.469 1.00 0.00 C ATOM 534 CG LEU A 33 1.367 -8.145 13.310 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.629 -7.732 12.524 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.577 -6.909 13.792 1.00 0.00 C ATOM 0 H LEU A 33 -1.787 -8.052 12.377 1.00 0.00 H new ATOM 0 HA LEU A 33 0.519 -7.754 10.779 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.339 -9.467 13.103 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.075 -9.990 12.209 1.00 0.00 H new ATOM 0 HG LEU A 33 1.686 -8.686 14.201 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.231 -7.056 13.131 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.213 -8.620 12.281 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.335 -7.228 11.603 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.234 -6.261 14.372 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.196 -6.362 12.930 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.258 -7.231 14.415 1.00 0.00 H new ATOM 548 N HIS A 34 -1.376 -10.330 10.016 1.00 0.00 N ATOM 549 CA HIS A 34 -1.668 -11.330 8.967 1.00 0.00 C ATOM 550 C HIS A 34 -2.308 -10.693 7.712 1.00 0.00 C ATOM 551 O HIS A 34 -3.036 -11.360 6.957 1.00 0.00 O ATOM 552 CB HIS A 34 -2.489 -12.499 9.567 1.00 0.00 C ATOM 553 CG HIS A 34 -1.632 -13.347 10.468 1.00 0.00 C ATOM 554 ND1 HIS A 34 -1.667 -13.278 11.840 1.00 0.00 N ATOM 555 CD2 HIS A 34 -0.623 -14.196 10.164 1.00 0.00 C ATOM 556 CE1 HIS A 34 -0.708 -14.030 12.335 1.00 0.00 C ATOM 557 NE2 HIS A 34 -0.061 -14.601 11.342 1.00 0.00 N ATOM 0 H HIS A 34 -2.122 -10.230 10.704 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.729 -11.750 8.608 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.335 -12.104 10.129 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.898 -13.112 8.764 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -2.331 -12.731 12.388 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.318 -14.498 9.173 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -0.488 -14.158 13.385 1.00 0.00 H new ATOM 566 N GLY A 35 -1.983 -9.393 7.497 1.00 0.00 N ATOM 567 CA GLY A 35 -2.302 -8.669 6.269 1.00 0.00 C ATOM 568 C GLY A 35 -3.782 -8.428 6.085 1.00 0.00 C ATOM 569 O GLY A 35 -4.259 -8.306 4.960 1.00 0.00 O ATOM 0 H GLY A 35 -1.488 -8.825 8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.783 -7.711 6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.923 -9.231 5.415 1.00 0.00 H new ATOM 573 N GLY A 36 -4.504 -8.324 7.209 1.00 0.00 N ATOM 574 CA GLY A 36 -5.959 -8.345 7.195 1.00 0.00 C ATOM 575 C GLY A 36 -6.632 -7.051 7.579 1.00 0.00 C ATOM 576 O GLY A 36 -5.983 -6.103 8.037 1.00 0.00 O ATOM 0 H GLY A 36 -4.095 -8.224 8.138 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.291 -8.624 6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.300 -9.127 7.874 1.00 0.00 H new ATOM 580 N LYS A 37 -7.973 -7.035 7.408 1.00 0.00 N ATOM 581 CA LYS A 37 -8.820 -5.876 7.717 1.00 0.00 C ATOM 582 C LYS A 37 -9.699 -6.196 8.926 1.00 0.00 C ATOM 583 O LYS A 37 -10.135 -7.337 9.117 1.00 0.00 O ATOM 584 CB LYS A 37 -9.701 -5.519 6.488 1.00 0.00 C ATOM 585 CG LYS A 37 -8.899 -5.107 5.238 1.00 0.00 C ATOM 586 CD LYS A 37 -9.794 -4.853 4.008 1.00 0.00 C ATOM 587 CE LYS A 37 -8.997 -4.337 2.798 1.00 0.00 C ATOM 588 NZ LYS A 37 -7.909 -5.268 2.400 1.00 0.00 N ATOM 0 H LYS A 37 -8.495 -7.834 7.049 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.190 -5.018 7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.325 -6.378 6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.373 -4.705 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.329 -4.204 5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.178 -5.889 5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.304 -5.777 3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.565 -4.128 4.267 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.673 -4.191 1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.570 -3.363 3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.766 -5.216 1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.029 -5.001 2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.169 -6.240 2.664 1.00 0.00 H new ATOM 602 N PHE A 38 -9.964 -5.170 9.731 1.00 0.00 N ATOM 603 CA PHE A 38 -10.768 -5.284 10.951 1.00 0.00 C ATOM 604 C PHE A 38 -11.868 -4.214 10.944 1.00 0.00 C ATOM 605 O PHE A 38 -11.819 -3.275 10.143 1.00 0.00 O ATOM 606 CB PHE A 38 -9.858 -5.161 12.207 1.00 0.00 C ATOM 607 CG PHE A 38 -9.183 -3.797 12.394 1.00 0.00 C ATOM 608 CD1 PHE A 38 -8.033 -3.461 11.678 1.00 0.00 C ATOM 609 CD2 PHE A 38 -9.706 -2.846 13.275 1.00 0.00 C ATOM 610 CE1 PHE A 38 -7.429 -2.226 11.840 1.00 0.00 C ATOM 611 CE2 PHE A 38 -9.098 -1.613 13.436 1.00 0.00 C ATOM 612 CZ PHE A 38 -7.962 -1.303 12.716 1.00 0.00 C ATOM 0 H PHE A 38 -9.624 -4.225 9.555 1.00 0.00 H new ATOM 0 HA PHE A 38 -11.246 -6.263 10.985 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -10.457 -5.376 13.092 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.084 -5.927 12.152 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.608 -4.175 10.988 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.598 -3.077 13.839 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.538 -1.984 11.279 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.513 -0.893 14.126 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.491 -0.339 12.838 1.00 0.00 H new ATOM 622 N LEU A 39 -12.855 -4.362 11.840 1.00 0.00 N ATOM 623 CA LEU A 39 -13.941 -3.384 11.993 1.00 0.00 C ATOM 624 C LEU A 39 -14.077 -3.034 13.485 1.00 0.00 C ATOM 625 O LEU A 39 -14.015 -3.928 14.347 1.00 0.00 O ATOM 626 CB LEU A 39 -15.281 -3.928 11.374 1.00 0.00 C ATOM 627 CG LEU A 39 -16.102 -2.919 10.495 1.00 0.00 C ATOM 628 CD1 LEU A 39 -16.626 -1.726 11.309 1.00 0.00 C ATOM 629 CD2 LEU A 39 -15.277 -2.429 9.286 1.00 0.00 C ATOM 0 H LEU A 39 -12.923 -5.158 12.475 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.707 -2.472 11.444 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.047 -4.801 10.764 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.920 -4.270 12.188 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.969 -3.465 10.124 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.187 -1.058 10.655 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -17.278 -2.087 12.105 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.786 -1.186 11.745 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.873 -1.732 8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.376 -1.927 9.640 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.998 -3.281 8.666 1.00 0.00 H new ATOM 641 N HIS A 40 -14.235 -1.728 13.769 1.00 0.00 N ATOM 642 CA HIS A 40 -14.288 -1.201 15.143 1.00 0.00 C ATOM 643 C HIS A 40 -15.697 -1.340 15.767 1.00 0.00 C ATOM 644 O HIS A 40 -15.820 -1.631 16.963 1.00 0.00 O ATOM 645 CB HIS A 40 -13.776 0.276 15.190 1.00 0.00 C ATOM 646 CG HIS A 40 -14.373 1.252 14.184 1.00 0.00 C ATOM 647 ND1 HIS A 40 -13.596 2.128 13.451 1.00 0.00 N ATOM 648 CD2 HIS A 40 -15.659 1.530 13.826 1.00 0.00 C ATOM 649 CE1 HIS A 40 -14.366 2.893 12.702 1.00 0.00 C ATOM 650 NE2 HIS A 40 -15.619 2.553 12.911 1.00 0.00 N ATOM 0 H HIS A 40 -14.329 -1.009 13.051 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.619 -1.808 15.754 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.962 0.666 16.191 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.695 0.264 15.048 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -16.546 1.036 14.194 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -14.025 3.667 12.031 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -16.431 2.980 12.465 1.00 0.00 H new ATOM 659 N TYR A 41 -16.745 -1.151 14.937 1.00 0.00 N ATOM 660 CA TYR A 41 -18.146 -1.155 15.399 1.00 0.00 C ATOM 661 C TYR A 41 -19.106 -1.118 14.205 1.00 0.00 C ATOM 662 O TYR A 41 -18.898 -0.351 13.262 1.00 0.00 O ATOM 663 CB TYR A 41 -18.430 0.050 16.347 1.00 0.00 C ATOM 664 CG TYR A 41 -19.805 0.011 17.046 1.00 0.00 C ATOM 665 CD1 TYR A 41 -20.057 -0.886 18.093 1.00 0.00 C ATOM 666 CD2 TYR A 41 -20.855 0.856 16.658 1.00 0.00 C ATOM 667 CE1 TYR A 41 -21.293 -0.937 18.717 1.00 0.00 C ATOM 668 CE2 TYR A 41 -22.090 0.806 17.284 1.00 0.00 C ATOM 669 CZ TYR A 41 -22.304 -0.088 18.309 1.00 0.00 C ATOM 670 OH TYR A 41 -23.540 -0.144 18.923 1.00 0.00 O ATOM 0 H TYR A 41 -16.643 -0.992 13.935 1.00 0.00 H new ATOM 0 HA TYR A 41 -18.309 -2.077 15.957 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -17.651 0.087 17.109 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.356 0.973 15.771 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -19.272 -1.551 18.420 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -20.698 1.560 15.855 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -21.466 -1.638 19.520 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -22.884 1.467 16.968 1.00 0.00 H new ATOM 0 HH TYR A 41 -24.137 0.520 18.518 1.00 0.00 H new ATOM 743 N LYS A 46 -22.717 -3.070 6.542 1.00 0.00 N ATOM 744 CA LYS A 46 -22.389 -4.479 6.270 1.00 0.00 C ATOM 745 C LYS A 46 -20.984 -4.606 5.632 1.00 0.00 C ATOM 746 O LYS A 46 -20.774 -5.360 4.677 1.00 0.00 O ATOM 747 CB LYS A 46 -23.534 -5.121 5.405 1.00 0.00 C ATOM 748 CG LYS A 46 -24.144 -4.228 4.281 1.00 0.00 C ATOM 749 CD LYS A 46 -23.257 -4.089 3.020 1.00 0.00 C ATOM 750 CE LYS A 46 -23.039 -5.430 2.292 1.00 0.00 C ATOM 751 NZ LYS A 46 -22.103 -5.302 1.148 1.00 0.00 N ATOM 0 HA LYS A 46 -22.337 -5.039 7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -23.145 -6.029 4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -24.339 -5.423 6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -25.108 -4.643 3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.335 -3.235 4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -23.718 -3.379 2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -22.290 -3.674 3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -22.650 -6.165 2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -23.997 -5.807 1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -21.987 -6.228 0.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -22.485 -4.621 0.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -21.180 -4.967 1.491 1.00 0.00 H new ATOM 765 N THR A 47 -20.008 -3.894 6.230 1.00 0.00 N ATOM 766 CA THR A 47 -18.605 -3.892 5.759 1.00 0.00 C ATOM 767 C THR A 47 -17.872 -5.159 6.245 1.00 0.00 C ATOM 768 O THR A 47 -16.940 -5.643 5.590 1.00 0.00 O ATOM 769 CB THR A 47 -17.852 -2.614 6.267 1.00 0.00 C ATOM 770 OG1 THR A 47 -18.567 -1.444 5.841 1.00 0.00 O ATOM 771 CG2 THR A 47 -16.397 -2.524 5.751 1.00 0.00 C ATOM 0 H THR A 47 -20.167 -3.307 7.049 1.00 0.00 H new ATOM 0 HA THR A 47 -18.614 -3.883 4.669 1.00 0.00 H new ATOM 0 HB THR A 47 -17.809 -2.680 7.354 1.00 0.00 H new ATOM 0 HG1 THR A 47 -18.101 -0.642 6.158 1.00 0.00 H new ATOM 0 HG21 THR A 47 -15.929 -1.618 6.137 1.00 0.00 H new ATOM 0 HG22 THR A 47 -15.836 -3.395 6.090 1.00 0.00 H new ATOM 0 HG23 THR A 47 -16.398 -2.495 4.661 1.00 0.00 H new ATOM 779 N VAL A 48 -18.320 -5.704 7.385 1.00 0.00 N ATOM 780 CA VAL A 48 -17.706 -6.898 7.986 1.00 0.00 C ATOM 781 C VAL A 48 -18.315 -8.191 7.395 1.00 0.00 C ATOM 782 O VAL A 48 -19.460 -8.193 6.926 1.00 0.00 O ATOM 783 CB VAL A 48 -17.841 -6.882 9.553 1.00 0.00 C ATOM 784 CG1 VAL A 48 -19.283 -7.164 10.033 1.00 0.00 C ATOM 785 CG2 VAL A 48 -16.848 -7.854 10.204 1.00 0.00 C ATOM 0 H VAL A 48 -19.111 -5.334 7.913 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.644 -6.881 7.743 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.596 -5.869 9.874 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -19.315 -7.140 11.122 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -19.955 -6.404 9.634 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.598 -8.147 9.682 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.964 -7.822 11.287 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -17.043 -8.866 9.848 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.831 -7.566 9.939 1.00 0.00 H new ATOM 795 N THR A 49 -17.515 -9.271 7.379 1.00 0.00 N ATOM 796 CA THR A 49 -17.956 -10.612 6.946 1.00 0.00 C ATOM 797 C THR A 49 -17.919 -11.606 8.127 1.00 0.00 C ATOM 798 O THR A 49 -18.651 -12.603 8.126 1.00 0.00 O ATOM 799 CB THR A 49 -17.077 -11.142 5.759 1.00 0.00 C ATOM 800 OG1 THR A 49 -17.452 -12.484 5.404 1.00 0.00 O ATOM 801 CG2 THR A 49 -15.574 -11.097 6.076 1.00 0.00 C ATOM 0 H THR A 49 -16.537 -9.240 7.668 1.00 0.00 H new ATOM 0 HA THR A 49 -18.984 -10.527 6.595 1.00 0.00 H new ATOM 0 HB THR A 49 -17.262 -10.476 4.917 1.00 0.00 H new ATOM 0 HG1 THR A 49 -16.893 -12.794 4.661 1.00 0.00 H new ATOM 0 HG21 THR A 49 -15.011 -11.474 5.223 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.276 -10.069 6.282 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.368 -11.716 6.949 1.00 0.00 H new ATOM 809 N HIS A 50 -17.060 -11.333 9.134 1.00 0.00 N ATOM 810 CA HIS A 50 -16.840 -12.251 10.276 1.00 0.00 C ATOM 811 C HIS A 50 -16.876 -11.483 11.589 1.00 0.00 C ATOM 812 O HIS A 50 -16.153 -10.509 11.752 1.00 0.00 O ATOM 813 CB HIS A 50 -15.487 -12.990 10.134 1.00 0.00 C ATOM 814 CG HIS A 50 -15.460 -13.943 8.979 1.00 0.00 C ATOM 815 ND1 HIS A 50 -14.757 -13.713 7.824 1.00 0.00 N ATOM 816 CD2 HIS A 50 -16.111 -15.105 8.793 1.00 0.00 C ATOM 817 CE1 HIS A 50 -14.983 -14.688 6.972 1.00 0.00 C ATOM 818 NE2 HIS A 50 -15.804 -15.545 7.536 1.00 0.00 N ATOM 0 H HIS A 50 -16.504 -10.479 9.179 1.00 0.00 H new ATOM 0 HA HIS A 50 -17.641 -12.990 10.275 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -14.690 -12.257 10.012 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -15.279 -13.536 11.054 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -14.152 -12.910 7.653 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -16.756 -15.599 9.505 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.566 -14.771 5.979 1.00 0.00 H new ATOM 827 N ILE A 51 -17.705 -11.947 12.530 1.00 0.00 N ATOM 828 CA ILE A 51 -17.868 -11.299 13.842 1.00 0.00 C ATOM 829 C ILE A 51 -17.457 -12.290 14.942 1.00 0.00 C ATOM 830 O ILE A 51 -17.922 -13.418 14.965 1.00 0.00 O ATOM 831 CB ILE A 51 -19.343 -10.793 14.042 1.00 0.00 C ATOM 832 CG1 ILE A 51 -19.688 -9.685 12.991 1.00 0.00 C ATOM 833 CG2 ILE A 51 -19.591 -10.296 15.488 1.00 0.00 C ATOM 834 CD1 ILE A 51 -21.091 -9.107 13.099 1.00 0.00 C ATOM 0 H ILE A 51 -18.282 -12.779 12.407 1.00 0.00 H new ATOM 0 HA ILE A 51 -17.224 -10.421 13.897 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.011 -11.639 13.880 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -18.968 -8.873 13.093 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -19.559 -10.101 11.992 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -20.622 -9.955 15.584 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -19.412 -11.111 16.189 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -18.914 -9.471 15.710 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -21.232 -8.349 12.329 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -21.824 -9.903 12.964 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -21.224 -8.655 14.082 1.00 0.00 H new ATOM 846 N VAL A 52 -16.589 -11.842 15.849 1.00 0.00 N ATOM 847 CA VAL A 52 -15.988 -12.686 16.881 1.00 0.00 C ATOM 848 C VAL A 52 -16.863 -12.649 18.132 1.00 0.00 C ATOM 849 O VAL A 52 -17.137 -11.582 18.668 1.00 0.00 O ATOM 850 CB VAL A 52 -14.538 -12.198 17.231 1.00 0.00 C ATOM 851 CG1 VAL A 52 -13.882 -13.059 18.327 1.00 0.00 C ATOM 852 CG2 VAL A 52 -13.657 -12.158 15.975 1.00 0.00 C ATOM 0 H VAL A 52 -16.280 -10.871 15.888 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.921 -13.707 16.504 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.629 -11.186 17.627 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.880 -12.683 18.535 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.483 -13.012 19.235 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.818 -14.093 17.988 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.657 -11.817 16.243 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.596 -13.156 15.541 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.092 -11.472 15.247 1.00 0.00 H new ATOM 862 N ALA A 53 -17.296 -13.829 18.568 1.00 0.00 N ATOM 863 CA ALA A 53 -18.104 -14.005 19.775 1.00 0.00 C ATOM 864 C ALA A 53 -17.676 -15.298 20.476 1.00 0.00 C ATOM 865 O ALA A 53 -17.348 -16.287 19.810 1.00 0.00 O ATOM 866 CB ALA A 53 -19.598 -14.032 19.416 1.00 0.00 C ATOM 0 H ALA A 53 -17.093 -14.705 18.086 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.945 -13.167 20.454 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -20.188 -14.164 20.323 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.874 -13.093 18.937 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -19.793 -14.859 18.733 1.00 0.00 H new ATOM 872 N SER A 54 -17.620 -15.279 21.812 1.00 0.00 N ATOM 873 CA SER A 54 -17.369 -16.497 22.604 1.00 0.00 C ATOM 874 C SER A 54 -18.704 -17.232 22.801 1.00 0.00 C ATOM 875 O SER A 54 -18.821 -18.441 22.570 1.00 0.00 O ATOM 876 CB SER A 54 -16.730 -16.132 23.961 1.00 0.00 C ATOM 877 OG SER A 54 -16.364 -17.286 24.702 1.00 0.00 O ATOM 0 H SER A 54 -17.745 -14.435 22.372 1.00 0.00 H new ATOM 0 HA SER A 54 -16.671 -17.149 22.079 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.848 -15.514 23.792 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.431 -15.534 24.543 1.00 0.00 H new ATOM 0 HG SER A 54 -15.962 -17.014 25.553 1.00 0.00 H new ATOM 883 N ASN A 55 -19.704 -16.459 23.248 1.00 0.00 N ATOM 884 CA ASN A 55 -21.111 -16.874 23.321 1.00 0.00 C ATOM 885 C ASN A 55 -21.914 -15.971 22.375 1.00 0.00 C ATOM 886 O ASN A 55 -21.735 -14.746 22.383 1.00 0.00 O ATOM 887 CB ASN A 55 -21.666 -16.766 24.778 1.00 0.00 C ATOM 888 CG ASN A 55 -21.273 -17.917 25.727 1.00 0.00 C ATOM 889 OD1 ASN A 55 -22.042 -18.274 26.623 1.00 0.00 O ATOM 890 ND2 ASN A 55 -20.082 -18.488 25.580 1.00 0.00 N ATOM 0 H ASN A 55 -19.553 -15.505 23.576 1.00 0.00 H new ATOM 0 HA ASN A 55 -21.200 -17.919 23.025 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -21.320 -15.828 25.211 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -22.754 -16.713 24.731 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -19.792 -19.233 26.213 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -19.458 -18.181 24.834 1.00 0.00 H new ATOM 897 N LEU A 56 -22.778 -16.584 21.556 1.00 0.00 N ATOM 898 CA LEU A 56 -23.601 -15.868 20.565 1.00 0.00 C ATOM 899 C LEU A 56 -25.039 -16.443 20.635 1.00 0.00 C ATOM 900 O LEU A 56 -25.283 -17.553 20.143 1.00 0.00 O ATOM 901 CB LEU A 56 -22.949 -16.004 19.143 1.00 0.00 C ATOM 902 CG LEU A 56 -23.383 -14.995 18.022 1.00 0.00 C ATOM 903 CD1 LEU A 56 -24.756 -15.330 17.430 1.00 0.00 C ATOM 904 CD2 LEU A 56 -23.317 -13.525 18.504 1.00 0.00 C ATOM 0 H LEU A 56 -22.929 -17.593 21.560 1.00 0.00 H new ATOM 0 HA LEU A 56 -23.653 -14.800 20.778 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -21.869 -15.921 19.264 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.153 -17.011 18.780 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.656 -15.106 17.217 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.008 -14.601 16.660 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -24.729 -16.327 16.991 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -25.509 -15.300 18.218 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.626 -12.863 17.695 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -23.983 -13.391 19.357 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.296 -13.285 18.800 1.00 0.00 H new ATOM 916 N PRO A 57 -25.998 -15.721 21.311 1.00 0.00 N ATOM 917 CA PRO A 57 -27.400 -16.194 21.485 1.00 0.00 C ATOM 918 C PRO A 57 -28.181 -16.249 20.152 1.00 0.00 C ATOM 919 O PRO A 57 -27.806 -15.587 19.177 1.00 0.00 O ATOM 920 CB PRO A 57 -28.013 -15.166 22.470 1.00 0.00 C ATOM 921 CG PRO A 57 -27.205 -13.921 22.266 1.00 0.00 C ATOM 922 CD PRO A 57 -25.795 -14.389 21.963 1.00 0.00 C ATOM 0 HA PRO A 57 -27.444 -17.218 21.857 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -29.068 -14.993 22.257 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -27.948 -15.516 23.500 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -27.604 -13.326 21.445 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -27.225 -13.291 23.156 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -25.275 -13.695 21.303 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -25.197 -14.474 22.870 1.00 0.00 H new ATOM 930 N LEU A 58 -29.280 -17.037 20.146 1.00 0.00 N ATOM 931 CA LEU A 58 -30.125 -17.276 18.949 1.00 0.00 C ATOM 932 C LEU A 58 -30.685 -15.962 18.365 1.00 0.00 C ATOM 933 O LEU A 58 -30.869 -15.850 17.149 1.00 0.00 O ATOM 934 CB LEU A 58 -31.281 -18.255 19.294 1.00 0.00 C ATOM 935 CG LEU A 58 -30.841 -19.689 19.740 1.00 0.00 C ATOM 936 CD1 LEU A 58 -32.051 -20.532 20.192 1.00 0.00 C ATOM 937 CD2 LEU A 58 -30.047 -20.404 18.620 1.00 0.00 C ATOM 0 H LEU A 58 -29.610 -17.529 20.976 1.00 0.00 H new ATOM 0 HA LEU A 58 -29.492 -17.726 18.184 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -31.881 -17.814 20.090 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -31.928 -18.348 18.421 1.00 0.00 H new ATOM 0 HG LEU A 58 -30.178 -19.579 20.598 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -31.711 -21.522 20.495 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -32.541 -20.043 21.034 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -32.757 -20.627 19.367 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -29.755 -21.398 18.959 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -30.672 -20.493 17.731 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -29.155 -19.825 18.380 1.00 0.00 H new ATOM 949 N LYS A 59 -30.939 -14.976 19.245 1.00 0.00 N ATOM 950 CA LYS A 59 -31.376 -13.628 18.844 1.00 0.00 C ATOM 951 C LYS A 59 -30.302 -12.971 17.953 1.00 0.00 C ATOM 952 O LYS A 59 -30.595 -12.560 16.834 1.00 0.00 O ATOM 953 CB LYS A 59 -31.684 -12.755 20.097 1.00 0.00 C ATOM 954 CG LYS A 59 -32.081 -11.284 19.801 1.00 0.00 C ATOM 955 CD LYS A 59 -33.233 -11.156 18.767 1.00 0.00 C ATOM 956 CE LYS A 59 -33.626 -9.696 18.499 1.00 0.00 C ATOM 957 NZ LYS A 59 -34.532 -9.561 17.328 1.00 0.00 N ATOM 0 H LYS A 59 -30.847 -15.093 20.254 1.00 0.00 H new ATOM 0 HA LYS A 59 -32.297 -13.710 18.266 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -32.492 -13.226 20.658 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -30.806 -12.754 20.743 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -32.381 -10.802 20.731 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -31.208 -10.747 19.431 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -32.930 -11.625 17.831 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -34.104 -11.702 19.129 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -34.115 -9.286 19.383 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -32.726 -9.105 18.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -35.095 -8.692 17.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -33.967 -9.514 16.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -35.168 -10.383 17.285 1.00 0.00 H new ATOM 971 N LYS A 60 -29.048 -12.929 18.445 1.00 0.00 N ATOM 972 CA LYS A 60 -27.913 -12.328 17.703 1.00 0.00 C ATOM 973 C LYS A 60 -27.501 -13.188 16.488 1.00 0.00 C ATOM 974 O LYS A 60 -26.837 -12.701 15.578 1.00 0.00 O ATOM 975 CB LYS A 60 -26.704 -12.092 18.642 1.00 0.00 C ATOM 976 CG LYS A 60 -26.962 -11.083 19.787 1.00 0.00 C ATOM 977 CD LYS A 60 -27.362 -9.673 19.284 1.00 0.00 C ATOM 978 CE LYS A 60 -27.629 -8.686 20.433 1.00 0.00 C ATOM 979 NZ LYS A 60 -27.997 -7.340 19.936 1.00 0.00 N ATOM 0 H LYS A 60 -28.791 -13.305 19.358 1.00 0.00 H new ATOM 0 HA LYS A 60 -28.249 -11.364 17.322 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -26.407 -13.046 19.077 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -25.862 -11.738 18.047 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -27.752 -11.469 20.431 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -26.064 -11.001 20.399 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -26.568 -9.279 18.650 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -28.255 -9.753 18.664 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -28.431 -9.071 21.063 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -26.740 -8.610 21.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -28.168 -6.707 20.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -27.222 -6.960 19.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -28.860 -7.407 19.359 1.00 0.00 H new ATOM 993 N ARG A 61 -27.899 -14.472 16.495 1.00 0.00 N ATOM 994 CA ARG A 61 -27.680 -15.409 15.365 1.00 0.00 C ATOM 995 C ARG A 61 -28.628 -15.053 14.200 1.00 0.00 C ATOM 996 O ARG A 61 -28.319 -15.309 13.031 1.00 0.00 O ATOM 997 CB ARG A 61 -27.870 -16.872 15.869 1.00 0.00 C ATOM 998 CG ARG A 61 -27.599 -17.995 14.838 1.00 0.00 C ATOM 999 CD ARG A 61 -27.749 -19.402 15.462 1.00 0.00 C ATOM 1000 NE ARG A 61 -27.715 -20.486 14.456 1.00 0.00 N ATOM 1001 CZ ARG A 61 -28.772 -20.911 13.738 1.00 0.00 C ATOM 1002 NH1 ARG A 61 -29.973 -20.366 13.882 1.00 0.00 N ATOM 1003 NH2 ARG A 61 -28.619 -21.912 12.886 1.00 0.00 N ATOM 0 H ARG A 61 -28.384 -14.897 17.285 1.00 0.00 H new ATOM 0 HA ARG A 61 -26.662 -15.321 14.985 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -27.212 -17.027 16.724 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -28.893 -16.979 16.230 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -28.290 -17.894 14.001 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -26.592 -17.882 14.435 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -26.949 -19.560 16.186 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -28.690 -19.452 16.011 1.00 0.00 H new ATOM 0 HE ARG A 61 -26.820 -20.948 14.293 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -30.112 -19.607 14.549 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -30.757 -20.706 13.326 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -27.706 -22.355 12.778 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -29.414 -22.241 12.338 1.00 0.00 H new ATOM 1017 N ILE A 62 -29.785 -14.455 14.543 1.00 0.00 N ATOM 1018 CA ILE A 62 -30.699 -13.834 13.563 1.00 0.00 C ATOM 1019 C ILE A 62 -30.170 -12.437 13.155 1.00 0.00 C ATOM 1020 O ILE A 62 -30.120 -12.107 11.964 1.00 0.00 O ATOM 1021 CB ILE A 62 -32.164 -13.704 14.143 1.00 0.00 C ATOM 1022 CG1 ILE A 62 -32.729 -15.106 14.539 1.00 0.00 C ATOM 1023 CG2 ILE A 62 -33.111 -12.990 13.144 1.00 0.00 C ATOM 1024 CD1 ILE A 62 -34.100 -15.090 15.206 1.00 0.00 C ATOM 0 H ILE A 62 -30.113 -14.388 15.507 1.00 0.00 H new ATOM 0 HA ILE A 62 -30.738 -14.479 12.685 1.00 0.00 H new ATOM 0 HB ILE A 62 -32.110 -13.089 15.041 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -32.786 -15.723 13.642 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -32.021 -15.588 15.213 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -34.109 -12.919 13.576 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -32.733 -11.989 12.936 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -33.158 -13.560 12.216 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -34.402 -16.111 15.441 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -34.051 -14.505 16.125 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -34.828 -14.643 14.530 1.00 0.00 H new ATOM 1036 N GLU A 63 -29.744 -11.637 14.157 1.00 0.00 N ATOM 1037 CA GLU A 63 -29.288 -10.233 13.954 1.00 0.00 C ATOM 1038 C GLU A 63 -28.029 -10.152 13.075 1.00 0.00 C ATOM 1039 O GLU A 63 -27.815 -9.161 12.363 1.00 0.00 O ATOM 1040 CB GLU A 63 -29.009 -9.533 15.315 1.00 0.00 C ATOM 1041 CG GLU A 63 -30.215 -9.461 16.269 1.00 0.00 C ATOM 1042 CD GLU A 63 -31.447 -8.776 15.654 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -31.476 -7.531 15.606 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -32.387 -9.478 15.205 1.00 0.00 O ATOM 0 H GLU A 63 -29.704 -11.940 15.130 1.00 0.00 H new ATOM 0 HA GLU A 63 -30.099 -9.718 13.439 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -28.198 -10.060 15.818 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -28.658 -8.520 15.120 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -30.486 -10.471 16.575 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -29.923 -8.923 17.171 1.00 0.00 H new ATOM 1051 N PHE A 64 -27.215 -11.209 13.133 1.00 0.00 N ATOM 1052 CA PHE A 64 -25.937 -11.301 12.421 1.00 0.00 C ATOM 1053 C PHE A 64 -25.932 -12.529 11.487 1.00 0.00 C ATOM 1054 O PHE A 64 -24.885 -13.090 11.215 1.00 0.00 O ATOM 1055 CB PHE A 64 -24.758 -11.346 13.443 1.00 0.00 C ATOM 1056 CG PHE A 64 -24.673 -10.137 14.390 1.00 0.00 C ATOM 1057 CD1 PHE A 64 -24.590 -8.837 13.887 1.00 0.00 C ATOM 1058 CD2 PHE A 64 -24.669 -10.300 15.780 1.00 0.00 C ATOM 1059 CE1 PHE A 64 -24.509 -7.743 14.736 1.00 0.00 C ATOM 1060 CE2 PHE A 64 -24.588 -9.205 16.627 1.00 0.00 C ATOM 1061 CZ PHE A 64 -24.509 -7.930 16.103 1.00 0.00 C ATOM 0 H PHE A 64 -27.429 -12.039 13.685 1.00 0.00 H new ATOM 0 HA PHE A 64 -25.805 -10.415 11.799 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -24.850 -12.252 14.042 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -23.821 -11.423 12.891 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -24.589 -8.681 12.818 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -24.730 -11.293 16.199 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -24.446 -6.745 14.327 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -24.587 -9.350 17.697 1.00 0.00 H new ATOM 0 HZ PHE A 64 -24.447 -7.078 16.764 1.00 0.00 H new ATOM 1071 N ALA A 65 -27.125 -12.935 10.999 1.00 0.00 N ATOM 1072 CA ALA A 65 -27.280 -14.075 10.053 1.00 0.00 C ATOM 1073 C ALA A 65 -26.504 -13.857 8.724 1.00 0.00 C ATOM 1074 O ALA A 65 -26.059 -14.822 8.091 1.00 0.00 O ATOM 1075 CB ALA A 65 -28.769 -14.321 9.762 1.00 0.00 C ATOM 0 H ALA A 65 -28.008 -12.487 11.245 1.00 0.00 H new ATOM 0 HA ALA A 65 -26.850 -14.953 10.535 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -28.871 -15.156 9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -29.288 -14.555 10.692 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -29.206 -13.426 9.318 1.00 0.00 H new ATOM 1081 N ASN A 66 -26.365 -12.580 8.306 1.00 0.00 N ATOM 1082 CA ASN A 66 -25.600 -12.203 7.091 1.00 0.00 C ATOM 1083 C ASN A 66 -24.079 -12.290 7.329 1.00 0.00 C ATOM 1084 O ASN A 66 -23.301 -12.433 6.378 1.00 0.00 O ATOM 1085 CB ASN A 66 -25.977 -10.767 6.628 1.00 0.00 C ATOM 1086 CG ASN A 66 -27.389 -10.667 6.041 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -27.587 -10.862 4.843 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -28.374 -10.350 6.869 1.00 0.00 N ATOM 0 H ASN A 66 -26.776 -11.785 8.795 1.00 0.00 H new ATOM 0 HA ASN A 66 -25.865 -12.914 6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -25.895 -10.087 7.476 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -25.257 -10.433 5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -29.327 -10.262 6.517 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -28.179 -10.194 7.858 1.00 0.00 H new ATOM 1095 N TYR A 67 -23.662 -12.190 8.601 1.00 0.00 N ATOM 1096 CA TYR A 67 -22.241 -12.153 8.988 1.00 0.00 C ATOM 1097 C TYR A 67 -21.869 -13.487 9.648 1.00 0.00 C ATOM 1098 O TYR A 67 -22.498 -13.889 10.628 1.00 0.00 O ATOM 1099 CB TYR A 67 -21.990 -10.983 9.977 1.00 0.00 C ATOM 1100 CG TYR A 67 -22.654 -9.659 9.559 1.00 0.00 C ATOM 1101 CD1 TYR A 67 -22.185 -8.923 8.471 1.00 0.00 C ATOM 1102 CD2 TYR A 67 -23.761 -9.155 10.249 1.00 0.00 C ATOM 1103 CE1 TYR A 67 -22.791 -7.741 8.091 1.00 0.00 C ATOM 1104 CE2 TYR A 67 -24.370 -7.973 9.874 1.00 0.00 C ATOM 1105 CZ TYR A 67 -23.882 -7.269 8.796 1.00 0.00 C ATOM 1106 OH TYR A 67 -24.489 -6.089 8.418 1.00 0.00 O ATOM 0 H TYR A 67 -24.302 -12.132 9.393 1.00 0.00 H new ATOM 0 HA TYR A 67 -21.624 -11.998 8.103 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -22.359 -11.268 10.962 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.916 -10.825 10.072 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.332 -9.284 7.915 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -24.149 -9.703 11.095 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.413 -7.187 7.245 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -25.224 -7.603 10.423 1.00 0.00 H new ATOM 0 HH TYR A 67 -25.241 -5.901 9.018 1.00 0.00 H new ATOM 1116 N LYS A 68 -20.853 -14.180 9.120 1.00 0.00 N ATOM 1117 CA LYS A 68 -20.401 -15.452 9.692 1.00 0.00 C ATOM 1118 C LYS A 68 -19.737 -15.201 11.063 1.00 0.00 C ATOM 1119 O LYS A 68 -18.552 -14.842 11.151 1.00 0.00 O ATOM 1120 CB LYS A 68 -19.456 -16.196 8.711 1.00 0.00 C ATOM 1121 CG LYS A 68 -20.097 -16.545 7.346 1.00 0.00 C ATOM 1122 CD LYS A 68 -21.346 -17.456 7.481 1.00 0.00 C ATOM 1123 CE LYS A 68 -22.026 -17.727 6.128 1.00 0.00 C ATOM 1124 NZ LYS A 68 -23.204 -18.615 6.264 1.00 0.00 N ATOM 0 H LYS A 68 -20.329 -13.881 8.298 1.00 0.00 H new ATOM 0 HA LYS A 68 -21.262 -16.101 9.850 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.574 -15.579 8.537 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -19.113 -17.116 9.184 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -20.379 -15.624 6.836 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -19.357 -17.042 6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -21.053 -18.404 7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -22.062 -16.988 8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -22.335 -16.781 5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -21.307 -18.181 5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -23.631 -18.771 5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -22.907 -19.527 6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -23.902 -18.171 6.894 1.00 0.00 H new ATOM 1138 N VAL A 69 -20.557 -15.312 12.130 1.00 0.00 N ATOM 1139 CA VAL A 69 -20.080 -15.178 13.506 1.00 0.00 C ATOM 1140 C VAL A 69 -19.300 -16.446 13.870 1.00 0.00 C ATOM 1141 O VAL A 69 -19.758 -17.560 13.621 1.00 0.00 O ATOM 1142 CB VAL A 69 -21.250 -14.903 14.540 1.00 0.00 C ATOM 1143 CG1 VAL A 69 -21.947 -13.551 14.248 1.00 0.00 C ATOM 1144 CG2 VAL A 69 -22.292 -16.047 14.575 1.00 0.00 C ATOM 0 H VAL A 69 -21.558 -15.495 12.054 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.430 -14.305 13.566 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.786 -14.855 15.525 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.745 -13.389 14.973 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -21.219 -12.743 14.323 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -22.368 -13.568 13.243 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -23.071 -15.808 15.299 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -22.738 -16.163 13.587 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.802 -16.977 14.863 1.00 0.00 H new ATOM 1154 N VAL A 70 -18.084 -16.251 14.383 1.00 0.00 N ATOM 1155 CA VAL A 70 -17.136 -17.325 14.688 1.00 0.00 C ATOM 1156 C VAL A 70 -16.638 -17.186 16.132 1.00 0.00 C ATOM 1157 O VAL A 70 -16.926 -16.199 16.815 1.00 0.00 O ATOM 1158 CB VAL A 70 -15.904 -17.299 13.695 1.00 0.00 C ATOM 1159 CG1 VAL A 70 -16.338 -17.556 12.228 1.00 0.00 C ATOM 1160 CG2 VAL A 70 -15.112 -15.968 13.819 1.00 0.00 C ATOM 0 H VAL A 70 -17.723 -15.323 14.603 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.653 -18.277 14.568 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.241 -18.115 13.983 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.462 -17.530 11.580 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.814 -18.534 12.155 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -17.043 -16.785 11.917 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -14.271 -15.979 13.125 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.768 -15.131 13.581 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.740 -15.860 14.838 1.00 0.00 H new ATOM 1170 N SER A 71 -15.897 -18.197 16.579 1.00 0.00 N ATOM 1171 CA SER A 71 -15.172 -18.165 17.853 1.00 0.00 C ATOM 1172 C SER A 71 -13.844 -17.378 17.668 1.00 0.00 C ATOM 1173 O SER A 71 -13.315 -17.337 16.549 1.00 0.00 O ATOM 1174 CB SER A 71 -14.897 -19.621 18.309 1.00 0.00 C ATOM 1175 OG SER A 71 -14.349 -19.667 19.615 1.00 0.00 O ATOM 0 H SER A 71 -15.780 -19.070 16.065 1.00 0.00 H new ATOM 0 HA SER A 71 -15.764 -17.663 18.618 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.825 -20.192 18.284 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.211 -20.098 17.609 1.00 0.00 H new ATOM 0 HG SER A 71 -13.413 -19.954 19.567 1.00 0.00 H new ATOM 1181 N PRO A 72 -13.277 -16.723 18.750 1.00 0.00 N ATOM 1182 CA PRO A 72 -11.917 -16.097 18.695 1.00 0.00 C ATOM 1183 C PRO A 72 -10.823 -17.113 18.295 1.00 0.00 C ATOM 1184 O PRO A 72 -9.789 -16.738 17.735 1.00 0.00 O ATOM 1185 CB PRO A 72 -11.697 -15.558 20.142 1.00 0.00 C ATOM 1186 CG PRO A 72 -12.723 -16.264 20.982 1.00 0.00 C ATOM 1187 CD PRO A 72 -13.912 -16.493 20.077 1.00 0.00 C ATOM 0 HA PRO A 72 -11.854 -15.315 17.938 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.687 -15.770 20.492 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.829 -14.477 20.184 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -12.334 -17.208 21.362 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.001 -15.662 21.847 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.504 -17.351 20.396 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.580 -15.632 20.062 1.00 0.00 H new ATOM 1195 N ASP A 73 -11.107 -18.399 18.572 1.00 0.00 N ATOM 1196 CA ASP A 73 -10.245 -19.547 18.228 1.00 0.00 C ATOM 1197 C ASP A 73 -9.934 -19.613 16.721 1.00 0.00 C ATOM 1198 O ASP A 73 -8.910 -20.160 16.344 1.00 0.00 O ATOM 1199 CB ASP A 73 -10.913 -20.869 18.686 1.00 0.00 C ATOM 1200 CG ASP A 73 -11.039 -20.989 20.216 1.00 0.00 C ATOM 1201 OD1 ASP A 73 -11.784 -20.185 20.823 1.00 0.00 O ATOM 1202 OD2 ASP A 73 -10.413 -21.890 20.820 1.00 0.00 O ATOM 0 H ASP A 73 -11.963 -18.676 19.053 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.299 -19.410 18.752 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.905 -20.940 18.240 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.333 -21.711 18.309 1.00 0.00 H new ATOM 1207 N TRP A 74 -10.826 -19.062 15.868 1.00 0.00 N ATOM 1208 CA TRP A 74 -10.568 -18.955 14.411 1.00 0.00 C ATOM 1209 C TRP A 74 -9.303 -18.120 14.149 1.00 0.00 C ATOM 1210 O TRP A 74 -8.418 -18.540 13.397 1.00 0.00 O ATOM 1211 CB TRP A 74 -11.779 -18.334 13.663 1.00 0.00 C ATOM 1212 CG TRP A 74 -11.559 -18.142 12.169 1.00 0.00 C ATOM 1213 CD1 TRP A 74 -11.130 -19.082 11.271 1.00 0.00 C ATOM 1214 CD2 TRP A 74 -11.753 -16.938 11.411 1.00 0.00 C ATOM 1215 NE1 TRP A 74 -11.046 -18.532 10.018 1.00 0.00 N ATOM 1216 CE2 TRP A 74 -11.424 -17.224 10.078 1.00 0.00 C ATOM 1217 CE3 TRP A 74 -12.171 -15.649 11.736 1.00 0.00 C ATOM 1218 CZ2 TRP A 74 -11.505 -16.274 9.069 1.00 0.00 C ATOM 1219 CZ3 TRP A 74 -12.251 -14.706 10.735 1.00 0.00 C ATOM 1220 CH2 TRP A 74 -11.921 -15.025 9.414 1.00 0.00 C ATOM 0 H TRP A 74 -11.728 -18.685 16.160 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.416 -19.964 14.028 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -12.650 -18.973 13.811 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -12.012 -17.368 14.111 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -10.892 -20.107 11.514 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -10.748 -19.023 9.175 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -12.427 -15.394 12.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -11.248 -16.517 8.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -12.574 -13.704 10.974 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.998 -14.264 8.651 1.00 0.00 H new ATOM 1231 N ILE A 75 -9.237 -16.955 14.808 1.00 0.00 N ATOM 1232 CA ILE A 75 -8.133 -15.993 14.652 1.00 0.00 C ATOM 1233 C ILE A 75 -6.855 -16.595 15.275 1.00 0.00 C ATOM 1234 O ILE A 75 -5.789 -16.553 14.672 1.00 0.00 O ATOM 1235 CB ILE A 75 -8.450 -14.572 15.307 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -9.732 -13.892 14.687 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -7.231 -13.616 15.195 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -11.066 -14.496 15.091 1.00 0.00 C ATOM 0 H ILE A 75 -9.952 -16.650 15.469 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.993 -15.816 13.586 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.656 -14.760 16.361 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.732 -12.839 14.968 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.651 -13.932 13.601 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.478 -12.657 15.650 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.377 -14.053 15.712 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.982 -13.466 14.145 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.875 -13.949 14.606 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.100 -15.542 14.785 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.182 -14.431 16.173 1.00 0.00 H new ATOM 1250 N VAL A 76 -7.019 -17.216 16.455 1.00 0.00 N ATOM 1251 CA VAL A 76 -5.911 -17.813 17.239 1.00 0.00 C ATOM 1252 C VAL A 76 -5.218 -18.956 16.458 1.00 0.00 C ATOM 1253 O VAL A 76 -3.993 -18.958 16.316 1.00 0.00 O ATOM 1254 CB VAL A 76 -6.440 -18.328 18.631 1.00 0.00 C ATOM 1255 CG1 VAL A 76 -5.325 -19.017 19.464 1.00 0.00 C ATOM 1256 CG2 VAL A 76 -7.083 -17.166 19.431 1.00 0.00 C ATOM 0 H VAL A 76 -7.931 -17.322 16.900 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.166 -17.037 17.415 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.201 -19.082 18.430 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.737 -19.355 20.415 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.935 -19.873 18.913 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.519 -18.307 19.650 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.443 -17.540 20.390 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.340 -16.387 19.601 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.919 -16.754 18.866 1.00 0.00 H new ATOM 1266 N ASP A 77 -6.025 -19.904 15.939 1.00 0.00 N ATOM 1267 CA ASP A 77 -5.527 -21.037 15.120 1.00 0.00 C ATOM 1268 C ASP A 77 -4.930 -20.536 13.803 1.00 0.00 C ATOM 1269 O ASP A 77 -3.971 -21.109 13.303 1.00 0.00 O ATOM 1270 CB ASP A 77 -6.638 -22.094 14.846 1.00 0.00 C ATOM 1271 CG ASP A 77 -6.944 -22.981 16.069 1.00 0.00 C ATOM 1272 OD1 ASP A 77 -6.095 -23.828 16.416 1.00 0.00 O ATOM 1273 OD2 ASP A 77 -8.018 -22.843 16.690 1.00 0.00 O ATOM 0 H ASP A 77 -7.036 -19.909 16.073 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.743 -21.528 15.697 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.550 -21.582 14.539 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.331 -22.727 14.013 1.00 0.00 H new ATOM 1278 N SER A 78 -5.505 -19.455 13.264 1.00 0.00 N ATOM 1279 CA SER A 78 -5.025 -18.818 12.025 1.00 0.00 C ATOM 1280 C SER A 78 -3.588 -18.275 12.189 1.00 0.00 C ATOM 1281 O SER A 78 -2.774 -18.352 11.259 1.00 0.00 O ATOM 1282 CB SER A 78 -5.997 -17.700 11.607 1.00 0.00 C ATOM 1283 OG SER A 78 -5.533 -17.013 10.480 1.00 0.00 O ATOM 0 H SER A 78 -6.318 -18.994 13.673 1.00 0.00 H new ATOM 0 HA SER A 78 -4.993 -19.571 11.237 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.977 -18.128 11.396 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.126 -17.001 12.433 1.00 0.00 H new ATOM 0 HG SER A 78 -5.926 -16.115 10.459 1.00 0.00 H new ATOM 1289 N VAL A 79 -3.300 -17.735 13.381 1.00 0.00 N ATOM 1290 CA VAL A 79 -1.968 -17.222 13.740 1.00 0.00 C ATOM 1291 C VAL A 79 -0.966 -18.385 13.921 1.00 0.00 C ATOM 1292 O VAL A 79 0.146 -18.355 13.372 1.00 0.00 O ATOM 1293 CB VAL A 79 -2.050 -16.346 15.049 1.00 0.00 C ATOM 1294 CG1 VAL A 79 -0.661 -15.825 15.487 1.00 0.00 C ATOM 1295 CG2 VAL A 79 -3.034 -15.166 14.861 1.00 0.00 C ATOM 0 H VAL A 79 -3.988 -17.641 14.129 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.611 -16.591 12.926 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.424 -16.992 15.843 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.766 -15.227 16.392 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.001 -16.670 15.685 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.236 -15.211 14.693 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.074 -14.576 15.777 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.694 -14.537 14.038 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.028 -15.553 14.635 1.00 0.00 H new ATOM 1305 N LYS A 80 -1.398 -19.418 14.674 1.00 0.00 N ATOM 1306 CA LYS A 80 -0.548 -20.575 15.039 1.00 0.00 C ATOM 1307 C LYS A 80 -0.137 -21.397 13.798 1.00 0.00 C ATOM 1308 O LYS A 80 1.033 -21.767 13.643 1.00 0.00 O ATOM 1309 CB LYS A 80 -1.277 -21.480 16.072 1.00 0.00 C ATOM 1310 CG LYS A 80 -1.504 -20.827 17.458 1.00 0.00 C ATOM 1311 CD LYS A 80 -2.188 -21.784 18.468 1.00 0.00 C ATOM 1312 CE LYS A 80 -3.599 -22.209 18.028 1.00 0.00 C ATOM 1313 NZ LYS A 80 -4.193 -23.230 18.922 1.00 0.00 N ATOM 0 H LYS A 80 -2.346 -19.475 15.047 1.00 0.00 H new ATOM 0 HA LYS A 80 0.363 -20.184 15.492 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.243 -21.772 15.661 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.698 -22.394 16.206 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.545 -20.503 17.863 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.117 -19.934 17.338 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.569 -22.672 18.595 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.248 -21.295 19.441 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.247 -21.333 18.003 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.555 -22.602 17.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.939 -23.746 18.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.455 -23.898 19.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.602 -22.764 19.757 1.00 0.00 H new ATOM 1327 N GLU A 81 -1.112 -21.657 12.924 1.00 0.00 N ATOM 1328 CA GLU A 81 -0.917 -22.475 11.710 1.00 0.00 C ATOM 1329 C GLU A 81 -0.418 -21.622 10.530 1.00 0.00 C ATOM 1330 O GLU A 81 0.060 -22.169 9.529 1.00 0.00 O ATOM 1331 CB GLU A 81 -2.243 -23.196 11.348 1.00 0.00 C ATOM 1332 CG GLU A 81 -2.863 -24.026 12.500 1.00 0.00 C ATOM 1333 CD GLU A 81 -1.890 -25.045 13.123 1.00 0.00 C ATOM 1334 OE1 GLU A 81 -1.716 -26.138 12.548 1.00 0.00 O ATOM 1335 OE2 GLU A 81 -1.299 -24.760 14.191 1.00 0.00 O ATOM 0 H GLU A 81 -2.064 -21.308 13.033 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.149 -23.221 11.916 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.969 -22.451 11.023 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.062 -23.856 10.499 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.211 -23.347 13.278 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.738 -24.556 12.124 1.00 0.00 H new ATOM 1342 N ALA A 82 -0.550 -20.278 10.668 1.00 0.00 N ATOM 1343 CA ALA A 82 -0.102 -19.283 9.668 1.00 0.00 C ATOM 1344 C ALA A 82 -0.840 -19.450 8.318 1.00 0.00 C ATOM 1345 O ALA A 82 -0.260 -19.240 7.242 1.00 0.00 O ATOM 1346 CB ALA A 82 1.433 -19.323 9.503 1.00 0.00 C ATOM 0 H ALA A 82 -0.977 -19.852 11.490 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.365 -18.293 10.041 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.739 -18.583 8.763 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.908 -19.098 10.458 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.738 -20.316 9.171 1.00 0.00 H new ATOM 1352 N ARG A 83 -2.148 -19.764 8.400 1.00 0.00 N ATOM 1353 CA ARG A 83 -3.007 -19.989 7.217 1.00 0.00 C ATOM 1354 C ARG A 83 -4.460 -19.586 7.528 1.00 0.00 C ATOM 1355 O ARG A 83 -4.827 -19.403 8.694 1.00 0.00 O ATOM 1356 CB ARG A 83 -2.932 -21.480 6.787 1.00 0.00 C ATOM 1357 CG ARG A 83 -3.575 -22.469 7.784 1.00 0.00 C ATOM 1358 CD ARG A 83 -3.066 -23.905 7.609 1.00 0.00 C ATOM 1359 NE ARG A 83 -1.634 -24.012 7.963 1.00 0.00 N ATOM 1360 CZ ARG A 83 -1.004 -25.125 8.359 1.00 0.00 C ATOM 1361 NH1 ARG A 83 -1.627 -26.294 8.392 1.00 0.00 N ATOM 1362 NH2 ARG A 83 0.269 -25.054 8.714 1.00 0.00 N ATOM 0 H ARG A 83 -2.640 -19.869 9.287 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.650 -19.370 6.394 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.421 -21.591 5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.886 -21.753 6.649 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.369 -22.137 8.802 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.657 -22.454 7.656 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.650 -24.579 8.236 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.213 -24.222 6.577 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.076 -23.161 7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.606 -26.358 8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.128 -27.130 8.697 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.758 -24.159 8.684 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.761 -25.894 9.018 1.00 0.00 H new ATOM 1376 N LEU A 84 -5.275 -19.431 6.472 1.00 0.00 N ATOM 1377 CA LEU A 84 -6.716 -19.160 6.603 1.00 0.00 C ATOM 1378 C LEU A 84 -7.458 -20.489 6.795 1.00 0.00 C ATOM 1379 O LEU A 84 -7.726 -21.205 5.822 1.00 0.00 O ATOM 1380 CB LEU A 84 -7.238 -18.378 5.354 1.00 0.00 C ATOM 1381 CG LEU A 84 -8.721 -17.878 5.406 1.00 0.00 C ATOM 1382 CD1 LEU A 84 -8.966 -16.927 6.600 1.00 0.00 C ATOM 1383 CD2 LEU A 84 -9.139 -17.216 4.066 1.00 0.00 C ATOM 0 H LEU A 84 -4.955 -19.490 5.505 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.900 -18.532 7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.593 -17.513 5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.126 -19.019 4.480 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.351 -18.755 5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.007 -16.603 6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.749 -17.449 7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.315 -16.057 6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.173 -16.879 4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.492 -16.362 3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.046 -17.941 3.257 1.00 0.00 H new ATOM 1395 N LEU A 85 -7.718 -20.855 8.066 1.00 0.00 N ATOM 1396 CA LEU A 85 -8.540 -22.032 8.395 1.00 0.00 C ATOM 1397 C LEU A 85 -9.996 -21.767 7.968 1.00 0.00 C ATOM 1398 O LEU A 85 -10.458 -20.620 8.050 1.00 0.00 O ATOM 1399 CB LEU A 85 -8.482 -22.396 9.917 1.00 0.00 C ATOM 1400 CG LEU A 85 -7.139 -22.988 10.469 1.00 0.00 C ATOM 1401 CD1 LEU A 85 -6.663 -24.201 9.651 1.00 0.00 C ATOM 1402 CD2 LEU A 85 -6.039 -21.924 10.580 1.00 0.00 C ATOM 0 H LEU A 85 -7.369 -20.350 8.881 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.136 -22.885 7.851 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.712 -21.496 10.487 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.276 -23.115 10.121 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.350 -23.340 11.479 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.730 -24.578 10.069 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.420 -24.984 9.688 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -6.502 -23.901 8.616 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.128 -22.381 10.967 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.842 -21.500 9.595 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.364 -21.134 11.257 1.00 0.00 H new ATOM 1414 N PRO A 86 -10.726 -22.807 7.452 1.00 0.00 N ATOM 1415 CA PRO A 86 -12.173 -22.694 7.172 1.00 0.00 C ATOM 1416 C PRO A 86 -12.948 -22.272 8.445 1.00 0.00 C ATOM 1417 O PRO A 86 -13.067 -23.043 9.407 1.00 0.00 O ATOM 1418 CB PRO A 86 -12.568 -24.109 6.661 1.00 0.00 C ATOM 1419 CG PRO A 86 -11.447 -25.009 7.081 1.00 0.00 C ATOM 1420 CD PRO A 86 -10.205 -24.151 7.066 1.00 0.00 C ATOM 0 HA PRO A 86 -12.415 -21.926 6.437 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -13.515 -24.433 7.093 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.693 -24.115 5.578 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.627 -25.420 8.074 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.347 -25.854 6.400 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.456 -24.512 7.771 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.736 -24.136 6.082 1.00 0.00 H new ATOM 1428 N TRP A 87 -13.413 -21.009 8.433 1.00 0.00 N ATOM 1429 CA TRP A 87 -14.164 -20.381 9.542 1.00 0.00 C ATOM 1430 C TRP A 87 -15.434 -21.166 9.919 1.00 0.00 C ATOM 1431 O TRP A 87 -15.921 -21.047 11.039 1.00 0.00 O ATOM 1432 CB TRP A 87 -14.519 -18.914 9.179 1.00 0.00 C ATOM 1433 CG TRP A 87 -15.206 -18.730 7.838 1.00 0.00 C ATOM 1434 CD1 TRP A 87 -16.537 -18.897 7.549 1.00 0.00 C ATOM 1435 CD2 TRP A 87 -14.583 -18.325 6.611 1.00 0.00 C ATOM 1436 NE1 TRP A 87 -16.769 -18.615 6.229 1.00 0.00 N ATOM 1437 CE2 TRP A 87 -15.589 -18.274 5.628 1.00 0.00 C ATOM 1438 CE3 TRP A 87 -13.266 -18.014 6.253 1.00 0.00 C ATOM 1439 CZ2 TRP A 87 -15.323 -17.900 4.310 1.00 0.00 C ATOM 1440 CZ3 TRP A 87 -13.001 -17.643 4.949 1.00 0.00 C ATOM 1441 CH2 TRP A 87 -14.024 -17.598 3.987 1.00 0.00 C ATOM 0 H TRP A 87 -13.276 -20.383 7.639 1.00 0.00 H new ATOM 0 HA TRP A 87 -13.516 -20.394 10.419 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -15.164 -18.509 9.959 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -13.603 -18.323 9.185 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -17.291 -19.205 8.258 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -17.678 -18.653 5.767 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -12.472 -18.063 6.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -16.110 -17.850 3.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -11.992 -17.384 4.665 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -13.783 -17.320 2.972 1.00 0.00 H new ATOM 1452 N GLN A 88 -15.937 -21.969 8.961 1.00 0.00 N ATOM 1453 CA GLN A 88 -17.139 -22.817 9.117 1.00 0.00 C ATOM 1454 C GLN A 88 -17.004 -23.809 10.303 1.00 0.00 C ATOM 1455 O GLN A 88 -18.012 -24.231 10.884 1.00 0.00 O ATOM 1456 CB GLN A 88 -17.384 -23.584 7.790 1.00 0.00 C ATOM 1457 CG GLN A 88 -16.235 -24.533 7.387 1.00 0.00 C ATOM 1458 CD GLN A 88 -16.472 -25.250 6.063 1.00 0.00 C ATOM 1459 OE1 GLN A 88 -16.083 -24.761 5.003 1.00 0.00 O ATOM 1460 NE2 GLN A 88 -17.118 -26.402 6.108 1.00 0.00 N ATOM 0 H GLN A 88 -15.512 -22.049 8.037 1.00 0.00 H new ATOM 0 HA GLN A 88 -17.990 -22.174 9.342 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -18.303 -24.163 7.882 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -17.541 -22.861 6.989 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.309 -23.961 7.320 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.096 -25.275 8.173 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -17.427 -26.779 7.004 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -17.308 -26.914 5.247 1.00 0.00 H new ATOM 1469 N ASN A 89 -15.746 -24.177 10.641 1.00 0.00 N ATOM 1470 CA ASN A 89 -15.438 -25.030 11.810 1.00 0.00 C ATOM 1471 C ASN A 89 -15.759 -24.291 13.124 1.00 0.00 C ATOM 1472 O ASN A 89 -16.250 -24.883 14.088 1.00 0.00 O ATOM 1473 CB ASN A 89 -13.937 -25.439 11.813 1.00 0.00 C ATOM 1474 CG ASN A 89 -13.461 -26.148 10.543 1.00 0.00 C ATOM 1475 OD1 ASN A 89 -14.230 -26.809 9.844 1.00 0.00 O ATOM 1476 ND2 ASN A 89 -12.171 -26.022 10.248 1.00 0.00 N ATOM 0 H ASN A 89 -14.921 -23.892 10.113 1.00 0.00 H new ATOM 0 HA ASN A 89 -16.057 -25.925 11.737 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -13.332 -24.545 11.961 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -13.755 -26.092 12.666 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.790 -26.481 9.420 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.562 -25.467 10.849 1.00 0.00 H new ATOM 1483 N TYR A 90 -15.462 -22.983 13.131 1.00 0.00 N ATOM 1484 CA TYR A 90 -15.548 -22.119 14.331 1.00 0.00 C ATOM 1485 C TYR A 90 -16.851 -21.292 14.341 1.00 0.00 C ATOM 1486 O TYR A 90 -17.136 -20.600 15.324 1.00 0.00 O ATOM 1487 CB TYR A 90 -14.315 -21.173 14.369 1.00 0.00 C ATOM 1488 CG TYR A 90 -12.970 -21.907 14.227 1.00 0.00 C ATOM 1489 CD1 TYR A 90 -12.314 -22.442 15.341 1.00 0.00 C ATOM 1490 CD2 TYR A 90 -12.371 -22.077 12.974 1.00 0.00 C ATOM 1491 CE1 TYR A 90 -11.114 -23.113 15.208 1.00 0.00 C ATOM 1492 CE2 TYR A 90 -11.170 -22.744 12.840 1.00 0.00 C ATOM 1493 CZ TYR A 90 -10.546 -23.261 13.959 1.00 0.00 C ATOM 1494 OH TYR A 90 -9.358 -23.942 13.824 1.00 0.00 O ATOM 0 H TYR A 90 -15.151 -22.484 12.297 1.00 0.00 H new ATOM 0 HA TYR A 90 -15.556 -22.756 15.216 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.405 -20.440 13.568 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -14.320 -20.621 15.309 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.753 -22.328 16.321 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.857 -21.679 12.096 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.622 -23.521 16.079 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.720 -22.861 11.865 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.095 -23.957 12.880 1.00 0.00 H new ATOM 1504 N SER A 91 -17.638 -21.375 13.246 1.00 0.00 N ATOM 1505 CA SER A 91 -18.868 -20.582 13.077 1.00 0.00 C ATOM 1506 C SER A 91 -19.962 -20.974 14.093 1.00 0.00 C ATOM 1507 O SER A 91 -20.370 -22.141 14.175 1.00 0.00 O ATOM 1508 CB SER A 91 -19.403 -20.693 11.631 1.00 0.00 C ATOM 1509 OG SER A 91 -18.513 -20.097 10.694 1.00 0.00 O ATOM 0 H SER A 91 -17.437 -21.992 12.459 1.00 0.00 H new ATOM 0 HA SER A 91 -18.604 -19.543 13.272 1.00 0.00 H new ATOM 0 HB2 SER A 91 -19.550 -21.743 11.377 1.00 0.00 H new ATOM 0 HB3 SER A 91 -20.378 -20.210 11.565 1.00 0.00 H new ATOM 0 HG SER A 91 -17.605 -20.433 10.846 1.00 0.00 H new ATOM 1515 N LEU A 92 -20.398 -19.975 14.884 1.00 0.00 N ATOM 1516 CA LEU A 92 -21.536 -20.083 15.820 1.00 0.00 C ATOM 1517 C LEU A 92 -22.888 -19.888 15.080 1.00 0.00 C ATOM 1518 O LEU A 92 -23.964 -19.953 15.696 1.00 0.00 O ATOM 1519 CB LEU A 92 -21.361 -19.037 16.959 1.00 0.00 C ATOM 1520 CG LEU A 92 -19.997 -19.097 17.738 1.00 0.00 C ATOM 1521 CD1 LEU A 92 -19.873 -17.943 18.753 1.00 0.00 C ATOM 1522 CD2 LEU A 92 -19.802 -20.467 18.430 1.00 0.00 C ATOM 0 H LEU A 92 -19.962 -19.053 14.891 1.00 0.00 H new ATOM 0 HA LEU A 92 -21.550 -21.083 16.254 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -21.470 -18.040 16.531 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -22.173 -19.168 17.675 1.00 0.00 H new ATOM 0 HG LEU A 92 -19.201 -18.978 17.003 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -18.918 -18.017 19.273 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -19.928 -16.989 18.228 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -20.686 -18.006 19.477 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.849 -20.475 18.960 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -20.613 -20.635 19.139 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.806 -21.258 17.680 1.00 0.00 H new ATOM 1534 N THR A 93 -22.810 -19.645 13.747 1.00 0.00 N ATOM 1535 CA THR A 93 -23.978 -19.562 12.839 1.00 0.00 C ATOM 1536 C THR A 93 -24.684 -20.929 12.691 1.00 0.00 C ATOM 1537 O THR A 93 -25.843 -20.992 12.267 1.00 0.00 O ATOM 1538 CB THR A 93 -23.538 -19.077 11.418 1.00 0.00 C ATOM 1539 OG1 THR A 93 -22.541 -19.971 10.889 1.00 0.00 O ATOM 1540 CG2 THR A 93 -22.977 -17.654 11.429 1.00 0.00 C ATOM 0 H THR A 93 -21.921 -19.500 13.268 1.00 0.00 H new ATOM 0 HA THR A 93 -24.672 -18.848 13.282 1.00 0.00 H new ATOM 0 HB THR A 93 -24.429 -19.076 10.790 1.00 0.00 H new ATOM 0 HG1 THR A 93 -22.268 -19.666 9.998 1.00 0.00 H new ATOM 0 HG21 THR A 93 -22.688 -17.369 10.417 1.00 0.00 H new ATOM 0 HG22 THR A 93 -23.738 -16.966 11.796 1.00 0.00 H new ATOM 0 HG23 THR A 93 -22.105 -17.612 12.081 1.00 0.00 H new ATOM 1548 N SER A 94 -23.944 -22.002 13.008 1.00 0.00 N ATOM 1549 CA SER A 94 -24.410 -23.393 12.918 1.00 0.00 C ATOM 1550 C SER A 94 -25.694 -23.631 13.767 1.00 0.00 C ATOM 1551 O SER A 94 -25.674 -23.363 14.983 1.00 0.00 O ATOM 1552 CB SER A 94 -23.264 -24.328 13.366 1.00 0.00 C ATOM 1553 OG SER A 94 -22.078 -24.063 12.628 1.00 0.00 O ATOM 1554 OXT SER A 94 -26.718 -24.074 13.202 1.00 0.00 O ATOM 0 H SER A 94 -22.983 -21.924 13.342 1.00 0.00 H new ATOM 0 HA SER A 94 -24.680 -23.610 11.885 1.00 0.00 H new ATOM 0 HB2 SER A 94 -23.073 -24.192 14.431 1.00 0.00 H new ATOM 0 HB3 SER A 94 -23.561 -25.367 13.225 1.00 0.00 H new ATOM 0 HG SER A 94 -21.516 -23.434 13.127 1.00 0.00 H new