USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 602 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 32 SER OG : rot 139:sc= 1.4 USER MOD Set 1.2: A 36 GLN : amide:sc= -0.0559 K(o=2.5,f=0.052) USER MOD Set 1.3: A 57 LYS NZ :NH3+ -169:sc= 1.17 (180deg=1.06) USER MOD Set 2.1: A 26 SER OG : rot 66:sc= 1.31 USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 10 TYR OH : rot -18:sc= 0.151 USER MOD Set 3.2: A 12 ASN : amide:sc= 0.601 K(o=1.3,f=0.51) USER MOD Set 3.3: A 51 GLN : amide:sc= 0.561 K(o=1.3,f=0.51) USER MOD Single : A 6 ASN : amide:sc= -0.438! K(o=-0.44!,f=0.2) USER MOD Single : A 7 GLN : amide:sc= 0.915 K(o=0.91,f=-0.41) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.878 K(o=0.88,f=-0.38) USER MOD Single : A 15 ASN : amide:sc= -0.0389 K(o=-0.039,f=-7.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= 0.952 (180deg=0.855) USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= 0.527 (180deg=0.472) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0.912 K(o=0.91,f=-0.23) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0196 USER MOD Single : A 63 SER OG : rot 79:sc= 1.16 USER MOD Single : A 64 ASN : amide:sc= 1.96 K(o=2,f=-5.9!) USER MOD Single : A 68 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 69 MET CE :methyl 175:sc= -1.64 (180deg=-1.75) USER MOD Single : A 70 GLN : amide:sc= 1.33 K(o=1.3,f=-5.6!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -160:sc= -0.0686 (180deg=-0.76) USER MOD Single : A 80 GLN : amide:sc= 0.888 K(o=0.89,f=-0.043) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 5 9.148 -21.832 -3.782 1.00 0.00 N ATOM 72 CA PRO A 5 10.296 -22.047 -4.656 1.00 0.00 C ATOM 73 C PRO A 5 9.932 -22.267 -6.126 1.00 0.00 C ATOM 74 O PRO A 5 9.101 -23.114 -6.463 1.00 0.00 O ATOM 75 CB PRO A 5 11.045 -23.251 -4.078 1.00 0.00 C ATOM 76 CG PRO A 5 10.669 -23.233 -2.604 1.00 0.00 C ATOM 77 CD PRO A 5 9.235 -22.709 -2.621 1.00 0.00 C ATOM 0 HA PRO A 5 10.912 -21.148 -4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.740 -24.181 -4.558 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.122 -23.158 -4.218 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.730 -24.227 -2.160 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.329 -22.585 -2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.520 -23.528 -2.695 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.005 -22.167 -1.703 1.00 0.00 H new ATOM 85 N ASN A 6 10.617 -21.526 -6.998 1.00 0.00 N ATOM 86 CA ASN A 6 10.645 -21.669 -8.449 1.00 0.00 C ATOM 87 C ASN A 6 11.899 -20.926 -8.909 1.00 0.00 C ATOM 88 O ASN A 6 12.236 -19.913 -8.304 1.00 0.00 O ATOM 89 CB ASN A 6 9.409 -21.033 -9.104 1.00 0.00 C ATOM 90 CG ASN A 6 9.502 -21.177 -10.617 1.00 0.00 C ATOM 91 OD1 ASN A 6 9.437 -22.279 -11.150 1.00 0.00 O ATOM 92 ND2 ASN A 6 9.748 -20.096 -11.339 1.00 0.00 N ATOM 0 H ASN A 6 11.208 -20.756 -6.683 1.00 0.00 H new ATOM 0 HA ASN A 6 10.648 -22.722 -8.731 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.502 -21.515 -8.738 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.342 -19.980 -8.832 1.00 0.00 H new ATOM 0 HD21 ASN A 6 9.885 -20.176 -12.347 1.00 0.00 H new ATOM 0 HD22 ASN A 6 9.801 -19.183 -10.888 1.00 0.00 H new ATOM 99 N GLN A 7 12.598 -21.389 -9.950 1.00 0.00 N ATOM 100 CA GLN A 7 13.911 -20.840 -10.322 1.00 0.00 C ATOM 101 C GLN A 7 13.831 -19.406 -10.887 1.00 0.00 C ATOM 102 O GLN A 7 14.860 -18.739 -11.008 1.00 0.00 O ATOM 103 CB GLN A 7 14.605 -21.810 -11.297 1.00 0.00 C ATOM 104 CG GLN A 7 16.123 -21.577 -11.387 1.00 0.00 C ATOM 105 CD GLN A 7 16.870 -22.612 -12.232 1.00 0.00 C ATOM 106 OE1 GLN A 7 16.321 -23.600 -12.716 1.00 0.00 O ATOM 107 NE2 GLN A 7 18.160 -22.398 -12.425 1.00 0.00 N ATOM 0 H GLN A 7 12.277 -22.146 -10.554 1.00 0.00 H new ATOM 0 HA GLN A 7 14.511 -20.750 -9.416 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.417 -22.835 -10.978 1.00 0.00 H new ATOM 0 HB3 GLN A 7 14.165 -21.699 -12.288 1.00 0.00 H new ATOM 0 HG2 GLN A 7 16.303 -20.586 -11.805 1.00 0.00 H new ATOM 0 HG3 GLN A 7 16.539 -21.579 -10.380 1.00 0.00 H new ATOM 0 HE21 GLN A 7 18.607 -21.576 -12.020 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.709 -23.055 -12.979 1.00 0.00 H new ATOM 116 N THR A 8 12.629 -18.927 -11.212 1.00 0.00 N ATOM 117 CA THR A 8 12.374 -17.623 -11.810 1.00 0.00 C ATOM 118 C THR A 8 11.375 -16.872 -10.928 1.00 0.00 C ATOM 119 O THR A 8 10.442 -17.484 -10.385 1.00 0.00 O ATOM 120 CB THR A 8 11.823 -17.822 -13.233 1.00 0.00 C ATOM 121 OG1 THR A 8 12.646 -18.701 -13.978 1.00 0.00 O ATOM 122 CG2 THR A 8 11.687 -16.515 -14.016 1.00 0.00 C ATOM 0 H THR A 8 11.774 -19.462 -11.058 1.00 0.00 H new ATOM 0 HA THR A 8 13.291 -17.038 -11.878 1.00 0.00 H new ATOM 0 HB THR A 8 10.828 -18.247 -13.100 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.275 -18.813 -14.878 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.294 -16.726 -15.010 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.006 -15.845 -13.491 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.665 -16.041 -14.106 1.00 0.00 H new ATOM 130 N ILE A 9 11.548 -15.556 -10.815 1.00 0.00 N ATOM 131 CA ILE A 9 10.659 -14.665 -10.078 1.00 0.00 C ATOM 132 C ILE A 9 10.285 -13.495 -11.000 1.00 0.00 C ATOM 133 O ILE A 9 10.952 -13.239 -12.009 1.00 0.00 O ATOM 134 CB ILE A 9 11.278 -14.233 -8.716 1.00 0.00 C ATOM 135 CG1 ILE A 9 12.197 -13.001 -8.864 1.00 0.00 C ATOM 136 CG2 ILE A 9 11.983 -15.413 -8.010 1.00 0.00 C ATOM 137 CD1 ILE A 9 12.985 -12.616 -7.606 1.00 0.00 C ATOM 0 H ILE A 9 12.333 -15.068 -11.246 1.00 0.00 H new ATOM 0 HA ILE A 9 9.740 -15.181 -9.800 1.00 0.00 H new ATOM 0 HB ILE A 9 10.455 -13.927 -8.070 1.00 0.00 H new ATOM 0 HG12 ILE A 9 12.904 -13.191 -9.672 1.00 0.00 H new ATOM 0 HG13 ILE A 9 11.589 -12.149 -9.167 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.402 -15.073 -7.063 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.262 -16.208 -7.822 1.00 0.00 H new ATOM 0 HG23 ILE A 9 12.783 -15.792 -8.646 1.00 0.00 H new ATOM 0 HD11 ILE A 9 13.599 -11.740 -7.815 1.00 0.00 H new ATOM 0 HD12 ILE A 9 12.291 -12.388 -6.797 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.627 -13.446 -7.310 1.00 0.00 H new ATOM 149 N TYR A 10 9.244 -12.767 -10.614 1.00 0.00 N ATOM 150 CA TYR A 10 8.573 -11.724 -11.372 1.00 0.00 C ATOM 151 C TYR A 10 8.506 -10.502 -10.462 1.00 0.00 C ATOM 152 O TYR A 10 8.135 -10.623 -9.294 1.00 0.00 O ATOM 153 CB TYR A 10 7.174 -12.247 -11.731 1.00 0.00 C ATOM 154 CG TYR A 10 6.175 -11.249 -12.293 1.00 0.00 C ATOM 155 CD1 TYR A 10 6.537 -10.338 -13.307 1.00 0.00 C ATOM 156 CD2 TYR A 10 4.841 -11.286 -11.837 1.00 0.00 C ATOM 157 CE1 TYR A 10 5.570 -9.491 -13.876 1.00 0.00 C ATOM 158 CE2 TYR A 10 3.870 -10.441 -12.399 1.00 0.00 C ATOM 159 CZ TYR A 10 4.227 -9.547 -13.434 1.00 0.00 C ATOM 160 OH TYR A 10 3.285 -8.753 -14.013 1.00 0.00 O ATOM 0 H TYR A 10 8.818 -12.902 -9.697 1.00 0.00 H new ATOM 0 HA TYR A 10 9.087 -11.456 -12.295 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.292 -13.051 -12.458 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.740 -12.689 -10.834 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.561 -10.291 -13.648 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.564 -11.970 -11.049 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.853 -8.796 -14.653 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.852 -10.474 -12.041 1.00 0.00 H new ATOM 0 HH TYR A 10 3.725 -8.021 -14.493 1.00 0.00 H new ATOM 170 N ILE A 11 8.890 -9.340 -10.983 1.00 0.00 N ATOM 171 CA ILE A 11 9.102 -8.101 -10.245 1.00 0.00 C ATOM 172 C ILE A 11 8.140 -7.072 -10.839 1.00 0.00 C ATOM 173 O ILE A 11 7.889 -7.062 -12.045 1.00 0.00 O ATOM 174 CB ILE A 11 10.597 -7.693 -10.365 1.00 0.00 C ATOM 175 CG1 ILE A 11 11.489 -8.680 -9.570 1.00 0.00 C ATOM 176 CG2 ILE A 11 10.862 -6.250 -9.893 1.00 0.00 C ATOM 177 CD1 ILE A 11 12.993 -8.567 -9.847 1.00 0.00 C ATOM 0 H ILE A 11 9.070 -9.233 -11.981 1.00 0.00 H new ATOM 0 HA ILE A 11 8.897 -8.195 -9.179 1.00 0.00 H new ATOM 0 HB ILE A 11 10.850 -7.737 -11.424 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.319 -8.522 -8.505 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.169 -9.697 -9.796 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.922 -6.021 -10.000 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.278 -5.556 -10.498 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.573 -6.151 -8.847 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.530 -9.299 -9.243 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.184 -8.758 -10.903 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.336 -7.564 -9.592 1.00 0.00 H new ATOM 189 N ASN A 12 7.604 -6.199 -9.991 1.00 0.00 N ATOM 190 CA ASN A 12 6.636 -5.161 -10.319 1.00 0.00 C ATOM 191 C ASN A 12 6.869 -3.966 -9.394 1.00 0.00 C ATOM 192 O ASN A 12 7.641 -4.053 -8.433 1.00 0.00 O ATOM 193 CB ASN A 12 5.201 -5.714 -10.163 1.00 0.00 C ATOM 194 CG ASN A 12 4.467 -5.744 -11.498 1.00 0.00 C ATOM 195 OD1 ASN A 12 3.481 -5.040 -11.696 1.00 0.00 O ATOM 196 ND2 ASN A 12 4.946 -6.538 -12.438 1.00 0.00 N ATOM 0 H ASN A 12 7.848 -6.198 -9.001 1.00 0.00 H new ATOM 0 HA ASN A 12 6.760 -4.840 -11.353 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.241 -6.720 -9.746 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.647 -5.097 -9.456 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.495 -6.576 -13.352 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.767 -7.114 -12.250 1.00 0.00 H new ATOM 203 N ASN A 13 6.185 -2.851 -9.677 1.00 0.00 N ATOM 204 CA ASN A 13 6.388 -1.544 -9.036 1.00 0.00 C ATOM 205 C ASN A 13 7.858 -1.089 -9.082 1.00 0.00 C ATOM 206 O ASN A 13 8.331 -0.361 -8.209 1.00 0.00 O ATOM 207 CB ASN A 13 5.793 -1.535 -7.616 1.00 0.00 C ATOM 208 CG ASN A 13 5.580 -0.113 -7.102 1.00 0.00 C ATOM 209 OD1 ASN A 13 4.939 0.705 -7.756 1.00 0.00 O ATOM 210 ND2 ASN A 13 6.068 0.212 -5.917 1.00 0.00 N ATOM 0 H ASN A 13 5.449 -2.832 -10.383 1.00 0.00 H new ATOM 0 HA ASN A 13 5.842 -0.799 -9.615 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.842 -2.068 -7.616 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.459 -2.071 -6.939 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.913 1.147 -5.541 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.600 -0.473 -5.379 1.00 0.00 H new ATOM 217 N LEU A 14 8.597 -1.544 -10.098 1.00 0.00 N ATOM 218 CA LEU A 14 9.970 -1.144 -10.381 1.00 0.00 C ATOM 219 C LEU A 14 9.911 0.317 -10.847 1.00 0.00 C ATOM 220 O LEU A 14 8.962 0.691 -11.544 1.00 0.00 O ATOM 221 CB LEU A 14 10.503 -2.089 -11.476 1.00 0.00 C ATOM 222 CG LEU A 14 12.005 -2.426 -11.468 1.00 0.00 C ATOM 223 CD1 LEU A 14 12.244 -3.465 -12.570 1.00 0.00 C ATOM 224 CD2 LEU A 14 12.918 -1.214 -11.677 1.00 0.00 C ATOM 0 H LEU A 14 8.239 -2.225 -10.767 1.00 0.00 H new ATOM 0 HA LEU A 14 10.636 -1.212 -9.521 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.950 -3.026 -11.408 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.264 -1.648 -12.444 1.00 0.00 H new ATOM 0 HG LEU A 14 12.262 -2.808 -10.480 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.301 -3.731 -12.596 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.651 -4.356 -12.365 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.951 -3.048 -13.533 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.959 -1.535 -11.658 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.697 -0.754 -12.640 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.748 -0.489 -10.881 1.00 0.00 H new ATOM 236 N ASN A 15 10.876 1.160 -10.467 1.00 0.00 N ATOM 237 CA ASN A 15 10.901 2.543 -10.940 1.00 0.00 C ATOM 238 C ASN A 15 11.171 2.545 -12.447 1.00 0.00 C ATOM 239 O ASN A 15 12.261 2.184 -12.888 1.00 0.00 O ATOM 240 CB ASN A 15 11.925 3.397 -10.173 1.00 0.00 C ATOM 241 CG ASN A 15 11.802 4.880 -10.533 1.00 0.00 C ATOM 242 OD1 ASN A 15 11.438 5.253 -11.643 1.00 0.00 O ATOM 243 ND2 ASN A 15 12.077 5.769 -9.593 1.00 0.00 N ATOM 0 H ASN A 15 11.641 0.911 -9.840 1.00 0.00 H new ATOM 0 HA ASN A 15 9.931 3.001 -10.749 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.777 3.268 -9.101 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.933 3.049 -10.400 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.986 6.765 -9.791 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.380 5.458 -8.670 1.00 0.00 H new ATOM 250 N GLU A 16 10.177 2.961 -13.231 1.00 0.00 N ATOM 251 CA GLU A 16 10.209 2.955 -14.689 1.00 0.00 C ATOM 252 C GLU A 16 11.375 3.749 -15.293 1.00 0.00 C ATOM 253 O GLU A 16 11.760 3.474 -16.429 1.00 0.00 O ATOM 254 CB GLU A 16 8.863 3.461 -15.235 1.00 0.00 C ATOM 255 CG GLU A 16 8.525 4.904 -14.819 1.00 0.00 C ATOM 256 CD GLU A 16 7.167 5.367 -15.376 1.00 0.00 C ATOM 257 OE1 GLU A 16 6.114 4.998 -14.808 1.00 0.00 O ATOM 258 OE2 GLU A 16 7.141 6.144 -16.358 1.00 0.00 O ATOM 0 H GLU A 16 9.301 3.322 -12.855 1.00 0.00 H new ATOM 0 HA GLU A 16 10.376 1.922 -14.994 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.878 3.401 -16.323 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.070 2.798 -14.890 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.512 4.973 -13.731 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.308 5.575 -15.172 1.00 0.00 H new ATOM 265 N LYS A 17 11.958 4.724 -14.579 1.00 0.00 N ATOM 266 CA LYS A 17 13.061 5.506 -15.138 1.00 0.00 C ATOM 267 C LYS A 17 14.278 4.628 -15.437 1.00 0.00 C ATOM 268 O LYS A 17 15.026 4.919 -16.371 1.00 0.00 O ATOM 269 CB LYS A 17 13.405 6.706 -14.243 1.00 0.00 C ATOM 270 CG LYS A 17 14.286 6.372 -13.029 1.00 0.00 C ATOM 271 CD LYS A 17 14.405 7.596 -12.119 1.00 0.00 C ATOM 272 CE LYS A 17 15.292 7.277 -10.906 1.00 0.00 C ATOM 273 NZ LYS A 17 15.506 8.467 -10.042 1.00 0.00 N ATOM 0 H LYS A 17 11.687 4.984 -13.630 1.00 0.00 H new ATOM 0 HA LYS A 17 12.731 5.912 -16.094 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.913 7.458 -14.847 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.477 7.155 -13.889 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.856 5.537 -12.476 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.275 6.058 -13.362 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.827 8.432 -12.677 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.415 7.905 -11.783 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.831 6.482 -10.320 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.256 6.902 -11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.110 8.207 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.969 9.218 -10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.589 8.811 -9.691 1.00 0.00 H new ATOM 287 N ILE A 18 14.474 3.560 -14.662 1.00 0.00 N ATOM 288 CA ILE A 18 15.645 2.700 -14.733 1.00 0.00 C ATOM 289 C ILE A 18 15.699 2.060 -16.125 1.00 0.00 C ATOM 290 O ILE A 18 14.684 1.590 -16.646 1.00 0.00 O ATOM 291 CB ILE A 18 15.582 1.695 -13.555 1.00 0.00 C ATOM 292 CG1 ILE A 18 15.499 2.413 -12.182 1.00 0.00 C ATOM 293 CG2 ILE A 18 16.769 0.724 -13.538 1.00 0.00 C ATOM 294 CD1 ILE A 18 16.614 3.427 -11.890 1.00 0.00 C ATOM 0 H ILE A 18 13.803 3.266 -13.952 1.00 0.00 H new ATOM 0 HA ILE A 18 16.580 3.248 -14.619 1.00 0.00 H new ATOM 0 HB ILE A 18 14.669 1.122 -13.718 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.540 2.928 -12.120 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.506 1.657 -11.397 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.671 0.044 -12.692 1.00 0.00 H new ATOM 0 HG22 ILE A 18 16.783 0.150 -14.465 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.698 1.287 -13.446 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.457 3.867 -10.905 1.00 0.00 H new ATOM 0 HD12 ILE A 18 17.580 2.922 -11.911 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.598 4.213 -12.646 1.00 0.00 H new ATOM 306 N LYS A 19 16.872 2.104 -16.759 1.00 0.00 N ATOM 307 CA LYS A 19 17.132 1.499 -18.069 1.00 0.00 C ATOM 308 C LYS A 19 17.379 -0.001 -17.890 1.00 0.00 C ATOM 309 O LYS A 19 17.661 -0.449 -16.780 1.00 0.00 O ATOM 310 CB LYS A 19 18.361 2.176 -18.709 1.00 0.00 C ATOM 311 CG LYS A 19 18.180 3.693 -18.897 1.00 0.00 C ATOM 312 CD LYS A 19 19.515 4.385 -19.219 1.00 0.00 C ATOM 313 CE LYS A 19 19.459 5.904 -18.983 1.00 0.00 C ATOM 314 NZ LYS A 19 19.280 6.253 -17.550 1.00 0.00 N ATOM 0 H LYS A 19 17.689 2.573 -16.367 1.00 0.00 H new ATOM 0 HA LYS A 19 16.273 1.640 -18.724 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.236 1.994 -18.084 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.560 1.716 -19.677 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.469 3.878 -19.702 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.755 4.125 -17.991 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.303 3.953 -18.602 1.00 0.00 H new ATOM 0 HD3 LYS A 19 19.781 4.191 -20.258 1.00 0.00 H new ATOM 0 HE2 LYS A 19 20.378 6.359 -19.352 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.638 6.328 -19.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.300 7.287 -17.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.366 5.886 -17.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.049 5.830 -16.991 1.00 0.00 H new ATOM 328 N LYS A 20 17.371 -0.777 -18.980 1.00 0.00 N ATOM 329 CA LYS A 20 17.659 -2.215 -18.922 1.00 0.00 C ATOM 330 C LYS A 20 19.036 -2.468 -18.323 1.00 0.00 C ATOM 331 O LYS A 20 19.179 -3.334 -17.465 1.00 0.00 O ATOM 332 CB LYS A 20 17.563 -2.840 -20.326 1.00 0.00 C ATOM 333 CG LYS A 20 17.808 -4.358 -20.276 1.00 0.00 C ATOM 334 CD LYS A 20 17.619 -5.012 -21.648 1.00 0.00 C ATOM 335 CE LYS A 20 17.860 -6.526 -21.535 1.00 0.00 C ATOM 336 NZ LYS A 20 17.075 -7.292 -22.535 1.00 0.00 N ATOM 0 H LYS A 20 17.167 -0.431 -19.918 1.00 0.00 H new ATOM 0 HA LYS A 20 16.915 -2.685 -18.279 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.578 -2.641 -20.749 1.00 0.00 H new ATOM 0 HB3 LYS A 20 18.294 -2.372 -20.986 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.819 -4.551 -19.918 1.00 0.00 H new ATOM 0 HG3 LYS A 20 17.124 -4.813 -19.560 1.00 0.00 H new ATOM 0 HD2 LYS A 20 16.612 -4.820 -22.018 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.311 -4.576 -22.368 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.921 -6.735 -21.670 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.595 -6.861 -20.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.391 -8.283 -22.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.065 -7.251 -22.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.218 -6.879 -23.479 1.00 0.00 H new ATOM 350 N GLU A 21 20.046 -1.722 -18.772 1.00 0.00 N ATOM 351 CA GLU A 21 21.413 -1.891 -18.302 1.00 0.00 C ATOM 352 C GLU A 21 21.494 -1.585 -16.806 1.00 0.00 C ATOM 353 O GLU A 21 22.116 -2.331 -16.053 1.00 0.00 O ATOM 354 CB GLU A 21 22.324 -0.985 -19.141 1.00 0.00 C ATOM 355 CG GLU A 21 23.777 -0.969 -18.648 1.00 0.00 C ATOM 356 CD GLU A 21 24.698 -0.217 -19.626 1.00 0.00 C ATOM 357 OE1 GLU A 21 24.875 1.014 -19.482 1.00 0.00 O ATOM 358 OE2 GLU A 21 25.270 -0.852 -20.541 1.00 0.00 O ATOM 0 H GLU A 21 19.935 -0.986 -19.470 1.00 0.00 H new ATOM 0 HA GLU A 21 21.746 -2.922 -18.425 1.00 0.00 H new ATOM 0 HB2 GLU A 21 22.302 -1.319 -20.178 1.00 0.00 H new ATOM 0 HB3 GLU A 21 21.930 0.031 -19.125 1.00 0.00 H new ATOM 0 HG2 GLU A 21 23.824 -0.497 -17.667 1.00 0.00 H new ATOM 0 HG3 GLU A 21 24.132 -1.992 -18.526 1.00 0.00 H new ATOM 365 N GLU A 22 20.828 -0.517 -16.365 1.00 0.00 N ATOM 366 CA GLU A 22 20.845 -0.092 -14.971 1.00 0.00 C ATOM 367 C GLU A 22 20.147 -1.137 -14.096 1.00 0.00 C ATOM 368 O GLU A 22 20.665 -1.496 -13.039 1.00 0.00 O ATOM 369 CB GLU A 22 20.172 1.280 -14.847 1.00 0.00 C ATOM 370 CG GLU A 22 20.959 2.388 -15.569 1.00 0.00 C ATOM 371 CD GLU A 22 20.202 3.726 -15.630 1.00 0.00 C ATOM 372 OE1 GLU A 22 18.950 3.735 -15.625 1.00 0.00 O ATOM 373 OE2 GLU A 22 20.859 4.783 -15.772 1.00 0.00 O ATOM 0 H GLU A 22 20.261 0.077 -16.969 1.00 0.00 H new ATOM 0 HA GLU A 22 21.875 -0.002 -14.625 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.165 1.226 -15.260 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.071 1.538 -13.793 1.00 0.00 H new ATOM 0 HG2 GLU A 22 21.911 2.539 -15.060 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.188 2.061 -16.583 1.00 0.00 H new ATOM 380 N LEU A 23 19.013 -1.674 -14.558 1.00 0.00 N ATOM 381 CA LEU A 23 18.305 -2.786 -13.931 1.00 0.00 C ATOM 382 C LEU A 23 19.244 -3.986 -13.818 1.00 0.00 C ATOM 383 O LEU A 23 19.393 -4.540 -12.728 1.00 0.00 O ATOM 384 CB LEU A 23 17.018 -3.067 -14.749 1.00 0.00 C ATOM 385 CG LEU A 23 16.214 -4.359 -14.499 1.00 0.00 C ATOM 386 CD1 LEU A 23 16.872 -5.636 -15.026 1.00 0.00 C ATOM 387 CD2 LEU A 23 15.876 -4.508 -13.016 1.00 0.00 C ATOM 0 H LEU A 23 18.552 -1.335 -15.403 1.00 0.00 H new ATOM 0 HA LEU A 23 17.994 -2.550 -12.913 1.00 0.00 H new ATOM 0 HB2 LEU A 23 16.342 -2.228 -14.588 1.00 0.00 H new ATOM 0 HB3 LEU A 23 17.295 -3.056 -15.803 1.00 0.00 H new ATOM 0 HG LEU A 23 15.299 -4.241 -15.080 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.234 -6.492 -14.804 1.00 0.00 H new ATOM 0 HD12 LEU A 23 17.010 -5.556 -16.104 1.00 0.00 H new ATOM 0 HD13 LEU A 23 17.841 -5.771 -14.545 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.309 -5.426 -12.863 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.797 -4.549 -12.435 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.280 -3.655 -12.691 1.00 0.00 H new ATOM 399 N LYS A 24 19.904 -4.374 -14.914 1.00 0.00 N ATOM 400 CA LYS A 24 20.760 -5.556 -14.947 1.00 0.00 C ATOM 401 C LYS A 24 21.897 -5.411 -13.941 1.00 0.00 C ATOM 402 O LYS A 24 22.110 -6.307 -13.122 1.00 0.00 O ATOM 403 CB LYS A 24 21.266 -5.780 -16.384 1.00 0.00 C ATOM 404 CG LYS A 24 21.991 -7.129 -16.529 1.00 0.00 C ATOM 405 CD LYS A 24 22.466 -7.408 -17.964 1.00 0.00 C ATOM 406 CE LYS A 24 23.581 -6.447 -18.406 1.00 0.00 C ATOM 407 NZ LYS A 24 24.098 -6.774 -19.760 1.00 0.00 N ATOM 0 H LYS A 24 19.857 -3.874 -15.802 1.00 0.00 H new ATOM 0 HA LYS A 24 20.192 -6.440 -14.655 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.425 -5.743 -17.076 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.943 -4.972 -16.662 1.00 0.00 H new ATOM 0 HG2 LYS A 24 22.850 -7.147 -15.859 1.00 0.00 H new ATOM 0 HG3 LYS A 24 21.323 -7.930 -16.212 1.00 0.00 H new ATOM 0 HD2 LYS A 24 22.826 -8.435 -18.032 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.621 -7.320 -18.648 1.00 0.00 H new ATOM 0 HE2 LYS A 24 23.201 -5.425 -18.401 1.00 0.00 H new ATOM 0 HE3 LYS A 24 24.399 -6.487 -17.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 24.848 -6.101 -20.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 24.485 -7.740 -19.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 23.324 -6.711 -20.452 1.00 0.00 H new ATOM 421 N LYS A 25 22.598 -4.273 -13.963 1.00 0.00 N ATOM 422 CA LYS A 25 23.685 -4.007 -13.026 1.00 0.00 C ATOM 423 C LYS A 25 23.162 -4.011 -11.595 1.00 0.00 C ATOM 424 O LYS A 25 23.807 -4.603 -10.735 1.00 0.00 O ATOM 425 CB LYS A 25 24.370 -2.667 -13.356 1.00 0.00 C ATOM 426 CG LYS A 25 25.190 -2.673 -14.659 1.00 0.00 C ATOM 427 CD LYS A 25 26.437 -3.576 -14.629 1.00 0.00 C ATOM 428 CE LYS A 25 27.483 -3.209 -13.561 1.00 0.00 C ATOM 429 NZ LYS A 25 28.127 -1.891 -13.803 1.00 0.00 N ATOM 0 H LYS A 25 22.427 -3.518 -14.627 1.00 0.00 H new ATOM 0 HA LYS A 25 24.428 -4.798 -13.122 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.608 -1.891 -13.425 1.00 0.00 H new ATOM 0 HB3 LYS A 25 25.027 -2.396 -12.529 1.00 0.00 H new ATOM 0 HG2 LYS A 25 24.545 -2.994 -15.477 1.00 0.00 H new ATOM 0 HG3 LYS A 25 25.502 -1.652 -14.881 1.00 0.00 H new ATOM 0 HD2 LYS A 25 26.118 -4.605 -14.464 1.00 0.00 H new ATOM 0 HD3 LYS A 25 26.914 -3.543 -15.609 1.00 0.00 H new ATOM 0 HE2 LYS A 25 27.005 -3.199 -12.582 1.00 0.00 H new ATOM 0 HE3 LYS A 25 28.251 -3.982 -13.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 28.820 -1.700 -13.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 28.609 -1.904 -14.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 27.402 -1.145 -13.803 1.00 0.00 H new ATOM 443 N SER A 26 22.008 -3.400 -11.326 1.00 0.00 N ATOM 444 CA SER A 26 21.467 -3.318 -9.974 1.00 0.00 C ATOM 445 C SER A 26 21.122 -4.705 -9.429 1.00 0.00 C ATOM 446 O SER A 26 21.497 -5.039 -8.304 1.00 0.00 O ATOM 447 CB SER A 26 20.261 -2.377 -9.951 1.00 0.00 C ATOM 448 OG SER A 26 20.638 -1.093 -10.408 1.00 0.00 O ATOM 0 H SER A 26 21.428 -2.952 -12.035 1.00 0.00 H new ATOM 0 HA SER A 26 22.230 -2.905 -9.314 1.00 0.00 H new ATOM 0 HB2 SER A 26 19.466 -2.777 -10.580 1.00 0.00 H new ATOM 0 HB3 SER A 26 19.862 -2.309 -8.939 1.00 0.00 H new ATOM 0 HG SER A 26 20.891 -1.144 -11.353 1.00 0.00 H new ATOM 454 N LEU A 27 20.478 -5.550 -10.235 1.00 0.00 N ATOM 455 CA LEU A 27 20.188 -6.930 -9.849 1.00 0.00 C ATOM 456 C LEU A 27 21.495 -7.654 -9.528 1.00 0.00 C ATOM 457 O LEU A 27 21.622 -8.245 -8.456 1.00 0.00 O ATOM 458 CB LEU A 27 19.428 -7.671 -10.963 1.00 0.00 C ATOM 459 CG LEU A 27 17.949 -7.278 -11.123 1.00 0.00 C ATOM 460 CD1 LEU A 27 17.329 -8.016 -12.307 1.00 0.00 C ATOM 461 CD2 LEU A 27 17.109 -7.629 -9.901 1.00 0.00 C ATOM 0 H LEU A 27 20.145 -5.299 -11.166 1.00 0.00 H new ATOM 0 HA LEU A 27 19.551 -6.917 -8.964 1.00 0.00 H new ATOM 0 HB2 LEU A 27 19.939 -7.493 -11.909 1.00 0.00 H new ATOM 0 HB3 LEU A 27 19.483 -8.742 -10.768 1.00 0.00 H new ATOM 0 HG LEU A 27 17.945 -6.198 -11.268 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.283 -7.728 -12.408 1.00 0.00 H new ATOM 0 HD12 LEU A 27 17.866 -7.757 -13.219 1.00 0.00 H new ATOM 0 HD13 LEU A 27 17.395 -9.091 -12.140 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.075 -7.329 -10.072 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.150 -8.704 -9.728 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.500 -7.105 -9.028 1.00 0.00 H new ATOM 473 N TYR A 28 22.490 -7.564 -10.415 1.00 0.00 N ATOM 474 CA TYR A 28 23.761 -8.235 -10.188 1.00 0.00 C ATOM 475 C TYR A 28 24.512 -7.670 -8.971 1.00 0.00 C ATOM 476 O TYR A 28 25.297 -8.395 -8.359 1.00 0.00 O ATOM 477 CB TYR A 28 24.618 -8.208 -11.461 1.00 0.00 C ATOM 478 CG TYR A 28 25.564 -9.391 -11.550 1.00 0.00 C ATOM 479 CD1 TYR A 28 25.124 -10.594 -12.139 1.00 0.00 C ATOM 480 CD2 TYR A 28 26.863 -9.313 -11.012 1.00 0.00 C ATOM 481 CE1 TYR A 28 25.973 -11.713 -12.191 1.00 0.00 C ATOM 482 CE2 TYR A 28 27.719 -10.429 -11.057 1.00 0.00 C ATOM 483 CZ TYR A 28 27.276 -11.636 -11.646 1.00 0.00 C ATOM 484 OH TYR A 28 28.083 -12.732 -11.688 1.00 0.00 O ATOM 0 H TYR A 28 22.436 -7.037 -11.287 1.00 0.00 H new ATOM 0 HA TYR A 28 23.548 -9.277 -9.949 1.00 0.00 H new ATOM 0 HB2 TYR A 28 23.966 -8.202 -12.334 1.00 0.00 H new ATOM 0 HB3 TYR A 28 25.194 -7.283 -11.488 1.00 0.00 H new ATOM 0 HD1 TYR A 28 24.128 -10.656 -12.553 1.00 0.00 H new ATOM 0 HD2 TYR A 28 27.204 -8.392 -10.563 1.00 0.00 H new ATOM 0 HE1 TYR A 28 25.631 -12.631 -12.647 1.00 0.00 H new ATOM 0 HE2 TYR A 28 28.714 -10.364 -10.642 1.00 0.00 H new ATOM 0 HH TYR A 28 28.946 -12.519 -11.275 1.00 0.00 H new ATOM 494 N ALA A 29 24.279 -6.407 -8.596 1.00 0.00 N ATOM 495 CA ALA A 29 24.936 -5.768 -7.463 1.00 0.00 C ATOM 496 C ALA A 29 24.323 -6.184 -6.123 1.00 0.00 C ATOM 497 O ALA A 29 25.078 -6.397 -5.170 1.00 0.00 O ATOM 498 CB ALA A 29 24.867 -4.243 -7.614 1.00 0.00 C ATOM 0 H ALA A 29 23.620 -5.797 -9.080 1.00 0.00 H new ATOM 0 HA ALA A 29 25.975 -6.097 -7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 29 25.360 -3.771 -6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.368 -3.946 -8.535 1.00 0.00 H new ATOM 0 HB3 ALA A 29 23.824 -3.928 -7.650 1.00 0.00 H new ATOM 504 N ILE A 30 22.990 -6.296 -6.020 1.00 0.00 N ATOM 505 CA ILE A 30 22.321 -6.477 -4.722 1.00 0.00 C ATOM 506 C ILE A 30 21.420 -7.707 -4.645 1.00 0.00 C ATOM 507 O ILE A 30 21.477 -8.396 -3.628 1.00 0.00 O ATOM 508 CB ILE A 30 21.587 -5.199 -4.251 1.00 0.00 C ATOM 509 CG1 ILE A 30 20.802 -4.457 -5.353 1.00 0.00 C ATOM 510 CG2 ILE A 30 22.599 -4.255 -3.572 1.00 0.00 C ATOM 511 CD1 ILE A 30 19.851 -3.377 -4.819 1.00 0.00 C ATOM 0 H ILE A 30 22.355 -6.265 -6.818 1.00 0.00 H new ATOM 0 HA ILE A 30 23.133 -6.668 -4.020 1.00 0.00 H new ATOM 0 HB ILE A 30 20.825 -5.526 -3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 30 21.510 -3.996 -6.042 1.00 0.00 H new ATOM 0 HG13 ILE A 30 20.226 -5.183 -5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 30 22.087 -3.352 -3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 30 23.046 -4.757 -2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 30 23.380 -3.987 -4.283 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.336 -2.901 -5.653 1.00 0.00 H new ATOM 0 HD12 ILE A 30 19.119 -3.834 -4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 30 20.422 -2.628 -4.270 1.00 0.00 H new ATOM 523 N PHE A 31 20.661 -8.060 -5.686 1.00 0.00 N ATOM 524 CA PHE A 31 19.928 -9.334 -5.670 1.00 0.00 C ATOM 525 C PHE A 31 20.912 -10.504 -5.549 1.00 0.00 C ATOM 526 O PHE A 31 20.632 -11.433 -4.789 1.00 0.00 O ATOM 527 CB PHE A 31 18.989 -9.510 -6.875 1.00 0.00 C ATOM 528 CG PHE A 31 17.592 -8.947 -6.688 1.00 0.00 C ATOM 529 CD1 PHE A 31 17.392 -7.562 -6.525 1.00 0.00 C ATOM 530 CD2 PHE A 31 16.478 -9.809 -6.711 1.00 0.00 C ATOM 531 CE1 PHE A 31 16.088 -7.046 -6.417 1.00 0.00 C ATOM 532 CE2 PHE A 31 15.176 -9.292 -6.582 1.00 0.00 C ATOM 533 CZ PHE A 31 14.979 -7.909 -6.447 1.00 0.00 C ATOM 0 H PHE A 31 20.538 -7.501 -6.530 1.00 0.00 H new ATOM 0 HA PHE A 31 19.280 -9.321 -4.794 1.00 0.00 H new ATOM 0 HB2 PHE A 31 19.443 -9.033 -7.743 1.00 0.00 H new ATOM 0 HB3 PHE A 31 18.909 -10.573 -7.101 1.00 0.00 H new ATOM 0 HD1 PHE A 31 18.241 -6.896 -6.483 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.624 -10.873 -6.828 1.00 0.00 H new ATOM 0 HE1 PHE A 31 15.938 -5.982 -6.311 1.00 0.00 H new ATOM 0 HE2 PHE A 31 14.327 -9.960 -6.587 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.979 -7.509 -6.366 1.00 0.00 H new ATOM 543 N SER A 32 22.096 -10.423 -6.176 1.00 0.00 N ATOM 544 CA SER A 32 23.150 -11.429 -6.027 1.00 0.00 C ATOM 545 C SER A 32 23.486 -11.764 -4.574 1.00 0.00 C ATOM 546 O SER A 32 23.853 -12.902 -4.283 1.00 0.00 O ATOM 547 CB SER A 32 24.440 -10.964 -6.700 1.00 0.00 C ATOM 548 OG SER A 32 24.301 -10.947 -8.101 1.00 0.00 O ATOM 0 H SER A 32 22.346 -9.656 -6.800 1.00 0.00 H new ATOM 0 HA SER A 32 22.750 -12.325 -6.501 1.00 0.00 H new ATOM 0 HB2 SER A 32 24.701 -9.967 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 32 25.259 -11.626 -6.420 1.00 0.00 H new ATOM 0 HG SER A 32 24.738 -10.148 -8.463 1.00 0.00 H new ATOM 554 N GLN A 33 23.367 -10.791 -3.666 1.00 0.00 N ATOM 555 CA GLN A 33 23.738 -10.959 -2.264 1.00 0.00 C ATOM 556 C GLN A 33 22.756 -11.882 -1.521 1.00 0.00 C ATOM 557 O GLN A 33 23.060 -12.309 -0.406 1.00 0.00 O ATOM 558 CB GLN A 33 23.866 -9.590 -1.572 1.00 0.00 C ATOM 559 CG GLN A 33 24.916 -8.694 -2.260 1.00 0.00 C ATOM 560 CD GLN A 33 25.131 -7.350 -1.557 1.00 0.00 C ATOM 561 OE1 GLN A 33 25.086 -7.239 -0.333 1.00 0.00 O ATOM 562 NE2 GLN A 33 25.383 -6.294 -2.313 1.00 0.00 N ATOM 0 H GLN A 33 23.009 -9.862 -3.887 1.00 0.00 H new ATOM 0 HA GLN A 33 24.712 -11.446 -2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 33 22.899 -9.087 -1.580 1.00 0.00 H new ATOM 0 HB3 GLN A 33 24.141 -9.735 -0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 33 25.865 -9.228 -2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 33 24.607 -8.511 -3.289 1.00 0.00 H new ATOM 0 HE21 GLN A 33 25.419 -6.390 -3.328 1.00 0.00 H new ATOM 0 HE22 GLN A 33 25.541 -5.384 -1.881 1.00 0.00 H new ATOM 571 N PHE A 34 21.613 -12.223 -2.132 1.00 0.00 N ATOM 572 CA PHE A 34 20.580 -13.068 -1.537 1.00 0.00 C ATOM 573 C PHE A 34 20.176 -14.221 -2.454 1.00 0.00 C ATOM 574 O PHE A 34 19.726 -15.254 -1.959 1.00 0.00 O ATOM 575 CB PHE A 34 19.374 -12.198 -1.146 1.00 0.00 C ATOM 576 CG PHE A 34 19.740 -10.962 -0.344 1.00 0.00 C ATOM 577 CD1 PHE A 34 20.241 -11.090 0.967 1.00 0.00 C ATOM 578 CD2 PHE A 34 19.643 -9.683 -0.930 1.00 0.00 C ATOM 579 CE1 PHE A 34 20.638 -9.948 1.687 1.00 0.00 C ATOM 580 CE2 PHE A 34 20.036 -8.543 -0.207 1.00 0.00 C ATOM 581 CZ PHE A 34 20.533 -8.674 1.101 1.00 0.00 C ATOM 0 H PHE A 34 21.380 -11.910 -3.074 1.00 0.00 H new ATOM 0 HA PHE A 34 20.988 -13.532 -0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 34 18.852 -11.890 -2.052 1.00 0.00 H new ATOM 0 HB3 PHE A 34 18.676 -12.802 -0.566 1.00 0.00 H new ATOM 0 HD1 PHE A 34 20.320 -12.067 1.420 1.00 0.00 H new ATOM 0 HD2 PHE A 34 19.266 -9.579 -1.937 1.00 0.00 H new ATOM 0 HE1 PHE A 34 21.024 -10.050 2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 34 19.956 -7.565 -0.658 1.00 0.00 H new ATOM 0 HZ PHE A 34 20.834 -7.797 1.655 1.00 0.00 H new ATOM 591 N GLY A 35 20.399 -14.099 -3.758 1.00 0.00 N ATOM 592 CA GLY A 35 20.271 -15.175 -4.716 1.00 0.00 C ATOM 593 C GLY A 35 21.123 -14.785 -5.906 1.00 0.00 C ATOM 594 O GLY A 35 20.790 -13.841 -6.620 1.00 0.00 O ATOM 0 H GLY A 35 20.683 -13.217 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.608 -16.119 -4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.231 -15.312 -5.010 1.00 0.00 H new ATOM 598 N GLN A 36 22.262 -15.455 -6.084 1.00 0.00 N ATOM 599 CA GLN A 36 23.131 -15.192 -7.223 1.00 0.00 C ATOM 600 C GLN A 36 22.365 -15.456 -8.529 1.00 0.00 C ATOM 601 O GLN A 36 21.635 -16.441 -8.679 1.00 0.00 O ATOM 602 CB GLN A 36 24.469 -15.942 -7.101 1.00 0.00 C ATOM 603 CG GLN A 36 25.681 -15.055 -7.456 1.00 0.00 C ATOM 604 CD GLN A 36 25.758 -14.642 -8.928 1.00 0.00 C ATOM 605 OE1 GLN A 36 26.115 -15.445 -9.782 1.00 0.00 O ATOM 606 NE2 GLN A 36 25.425 -13.407 -9.279 1.00 0.00 N ATOM 0 H GLN A 36 22.601 -16.182 -5.453 1.00 0.00 H new ATOM 0 HA GLN A 36 23.414 -14.139 -7.237 1.00 0.00 H new ATOM 0 HB2 GLN A 36 24.581 -16.314 -6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 36 24.455 -16.812 -7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 36 25.649 -14.156 -6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 36 26.595 -15.589 -7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 36 25.128 -12.738 -8.569 1.00 0.00 H new ATOM 0 HE22 GLN A 36 25.466 -13.127 -10.259 1.00 0.00 H new ATOM 615 N ILE A 37 22.519 -14.509 -9.445 1.00 0.00 N ATOM 616 CA ILE A 37 21.807 -14.395 -10.707 1.00 0.00 C ATOM 617 C ILE A 37 22.239 -15.527 -11.645 1.00 0.00 C ATOM 618 O ILE A 37 23.391 -15.967 -11.613 1.00 0.00 O ATOM 619 CB ILE A 37 22.147 -13.001 -11.298 1.00 0.00 C ATOM 620 CG1 ILE A 37 21.817 -11.822 -10.343 1.00 0.00 C ATOM 621 CG2 ILE A 37 21.496 -12.765 -12.671 1.00 0.00 C ATOM 622 CD1 ILE A 37 20.331 -11.606 -10.053 1.00 0.00 C ATOM 0 H ILE A 37 23.189 -13.751 -9.316 1.00 0.00 H new ATOM 0 HA ILE A 37 20.729 -14.483 -10.571 1.00 0.00 H new ATOM 0 HB ILE A 37 23.229 -13.019 -11.428 1.00 0.00 H new ATOM 0 HG12 ILE A 37 22.334 -11.988 -9.398 1.00 0.00 H new ATOM 0 HG13 ILE A 37 22.223 -10.906 -10.772 1.00 0.00 H new ATOM 0 HG21 ILE A 37 21.767 -11.775 -13.037 1.00 0.00 H new ATOM 0 HG22 ILE A 37 21.846 -13.520 -13.374 1.00 0.00 H new ATOM 0 HG23 ILE A 37 20.412 -12.832 -12.576 1.00 0.00 H new ATOM 0 HD11 ILE A 37 20.212 -10.760 -9.377 1.00 0.00 H new ATOM 0 HD12 ILE A 37 19.804 -11.403 -10.985 1.00 0.00 H new ATOM 0 HD13 ILE A 37 19.917 -12.502 -9.590 1.00 0.00 H new ATOM 634 N LEU A 38 21.337 -15.956 -12.530 1.00 0.00 N ATOM 635 CA LEU A 38 21.621 -16.855 -13.637 1.00 0.00 C ATOM 636 C LEU A 38 21.177 -16.207 -14.951 1.00 0.00 C ATOM 637 O LEU A 38 21.915 -16.311 -15.930 1.00 0.00 O ATOM 638 CB LEU A 38 20.934 -18.208 -13.398 1.00 0.00 C ATOM 639 CG LEU A 38 21.194 -19.251 -14.501 1.00 0.00 C ATOM 640 CD1 LEU A 38 22.685 -19.581 -14.645 1.00 0.00 C ATOM 641 CD2 LEU A 38 20.430 -20.533 -14.162 1.00 0.00 C ATOM 0 H LEU A 38 20.357 -15.674 -12.489 1.00 0.00 H new ATOM 0 HA LEU A 38 22.693 -17.040 -13.704 1.00 0.00 H new ATOM 0 HB2 LEU A 38 21.274 -18.612 -12.444 1.00 0.00 H new ATOM 0 HB3 LEU A 38 19.859 -18.047 -13.312 1.00 0.00 H new ATOM 0 HG LEU A 38 20.853 -18.830 -15.447 1.00 0.00 H new ATOM 0 HD11 LEU A 38 22.819 -20.321 -15.434 1.00 0.00 H new ATOM 0 HD12 LEU A 38 23.235 -18.675 -14.899 1.00 0.00 H new ATOM 0 HD13 LEU A 38 23.061 -19.982 -13.704 1.00 0.00 H new ATOM 0 HD21 LEU A 38 20.608 -21.278 -14.937 1.00 0.00 H new ATOM 0 HD22 LEU A 38 20.774 -20.919 -13.202 1.00 0.00 H new ATOM 0 HD23 LEU A 38 19.363 -20.316 -14.104 1.00 0.00 H new ATOM 653 N ASP A 39 20.044 -15.489 -14.983 1.00 0.00 N ATOM 654 CA ASP A 39 19.660 -14.660 -16.139 1.00 0.00 C ATOM 655 C ASP A 39 18.653 -13.585 -15.714 1.00 0.00 C ATOM 656 O ASP A 39 18.083 -13.683 -14.630 1.00 0.00 O ATOM 657 CB ASP A 39 19.086 -15.527 -17.278 1.00 0.00 C ATOM 658 CG ASP A 39 18.988 -14.775 -18.619 1.00 0.00 C ATOM 659 OD1 ASP A 39 19.672 -13.743 -18.806 1.00 0.00 O ATOM 660 OD2 ASP A 39 18.254 -15.244 -19.515 1.00 0.00 O ATOM 0 H ASP A 39 19.372 -15.465 -14.216 1.00 0.00 H new ATOM 0 HA ASP A 39 20.556 -14.166 -16.516 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.714 -16.408 -17.408 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.095 -15.881 -16.993 1.00 0.00 H new ATOM 665 N ILE A 40 18.420 -12.558 -16.533 1.00 0.00 N ATOM 666 CA ILE A 40 17.609 -11.375 -16.237 1.00 0.00 C ATOM 667 C ILE A 40 16.798 -11.047 -17.501 1.00 0.00 C ATOM 668 O ILE A 40 17.300 -11.208 -18.617 1.00 0.00 O ATOM 669 CB ILE A 40 18.545 -10.208 -15.807 1.00 0.00 C ATOM 670 CG1 ILE A 40 19.135 -10.489 -14.404 1.00 0.00 C ATOM 671 CG2 ILE A 40 17.813 -8.850 -15.806 1.00 0.00 C ATOM 672 CD1 ILE A 40 20.238 -9.533 -13.931 1.00 0.00 C ATOM 0 H ILE A 40 18.814 -12.527 -17.473 1.00 0.00 H new ATOM 0 HA ILE A 40 16.917 -11.546 -15.412 1.00 0.00 H new ATOM 0 HB ILE A 40 19.351 -10.149 -16.539 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.322 -10.461 -13.678 1.00 0.00 H new ATOM 0 HG13 ILE A 40 19.534 -11.503 -14.397 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.504 -8.064 -15.500 1.00 0.00 H new ATOM 0 HG22 ILE A 40 17.441 -8.636 -16.808 1.00 0.00 H new ATOM 0 HG23 ILE A 40 16.976 -8.889 -15.109 1.00 0.00 H new ATOM 0 HD11 ILE A 40 20.574 -9.828 -12.937 1.00 0.00 H new ATOM 0 HD12 ILE A 40 21.078 -9.575 -14.625 1.00 0.00 H new ATOM 0 HD13 ILE A 40 19.847 -8.516 -13.895 1.00 0.00 H new ATOM 684 N VAL A 41 15.567 -10.551 -17.331 1.00 0.00 N ATOM 685 CA VAL A 41 14.666 -10.167 -18.413 1.00 0.00 C ATOM 686 C VAL A 41 14.000 -8.834 -18.042 1.00 0.00 C ATOM 687 O VAL A 41 13.116 -8.775 -17.185 1.00 0.00 O ATOM 688 CB VAL A 41 13.637 -11.292 -18.689 1.00 0.00 C ATOM 689 CG1 VAL A 41 12.652 -10.912 -19.810 1.00 0.00 C ATOM 690 CG2 VAL A 41 14.303 -12.626 -19.066 1.00 0.00 C ATOM 0 H VAL A 41 15.162 -10.403 -16.407 1.00 0.00 H new ATOM 0 HA VAL A 41 15.220 -10.027 -19.341 1.00 0.00 H new ATOM 0 HB VAL A 41 13.097 -11.417 -17.750 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.949 -11.730 -19.969 1.00 0.00 H new ATOM 0 HG12 VAL A 41 12.105 -10.014 -19.524 1.00 0.00 H new ATOM 0 HG13 VAL A 41 13.204 -10.723 -20.731 1.00 0.00 H new ATOM 0 HG21 VAL A 41 13.535 -13.378 -19.248 1.00 0.00 H new ATOM 0 HG22 VAL A 41 14.901 -12.492 -19.968 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.946 -12.955 -18.250 1.00 0.00 H new ATOM 700 N ALA A 42 14.440 -7.765 -18.702 1.00 0.00 N ATOM 701 CA ALA A 42 13.856 -6.431 -18.720 1.00 0.00 C ATOM 702 C ALA A 42 14.072 -5.889 -20.142 1.00 0.00 C ATOM 703 O ALA A 42 14.802 -6.501 -20.932 1.00 0.00 O ATOM 704 CB ALA A 42 14.529 -5.549 -17.663 1.00 0.00 C ATOM 0 H ALA A 42 15.278 -7.816 -19.281 1.00 0.00 H new ATOM 0 HA ALA A 42 12.793 -6.444 -18.478 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.086 -4.553 -17.684 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.385 -5.990 -16.676 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.596 -5.476 -17.876 1.00 0.00 H new ATOM 710 N LEU A 43 13.457 -4.759 -20.490 1.00 0.00 N ATOM 711 CA LEU A 43 13.518 -4.186 -21.835 1.00 0.00 C ATOM 712 C LEU A 43 13.395 -2.664 -21.752 1.00 0.00 C ATOM 713 O LEU A 43 12.925 -2.128 -20.751 1.00 0.00 O ATOM 714 CB LEU A 43 12.394 -4.800 -22.695 1.00 0.00 C ATOM 715 CG LEU A 43 12.572 -4.737 -24.223 1.00 0.00 C ATOM 716 CD1 LEU A 43 13.882 -5.381 -24.697 1.00 0.00 C ATOM 717 CD2 LEU A 43 11.401 -5.480 -24.877 1.00 0.00 C ATOM 0 H LEU A 43 12.896 -4.209 -19.839 1.00 0.00 H new ATOM 0 HA LEU A 43 14.475 -4.417 -22.303 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.281 -5.846 -22.410 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.460 -4.298 -22.441 1.00 0.00 H new ATOM 0 HG LEU A 43 12.601 -3.686 -24.509 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.952 -5.307 -25.782 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.727 -4.864 -24.242 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.898 -6.431 -24.404 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.509 -5.447 -25.961 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.397 -6.518 -24.544 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.463 -5.004 -24.591 1.00 0.00 H new ATOM 847 N GLY A 50 9.098 -1.014 -15.858 1.00 0.00 N ATOM 848 CA GLY A 50 8.277 -0.828 -14.660 1.00 0.00 C ATOM 849 C GLY A 50 8.046 -2.186 -13.966 1.00 0.00 C ATOM 850 O GLY A 50 7.512 -2.251 -12.857 1.00 0.00 O ATOM 0 HA2 GLY A 50 8.770 -0.138 -13.974 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.321 -0.380 -14.930 1.00 0.00 H new ATOM 854 N GLN A 51 8.467 -3.278 -14.615 1.00 0.00 N ATOM 855 CA GLN A 51 8.398 -4.665 -14.185 1.00 0.00 C ATOM 856 C GLN A 51 9.534 -5.421 -14.887 1.00 0.00 C ATOM 857 O GLN A 51 10.082 -4.914 -15.868 1.00 0.00 O ATOM 858 CB GLN A 51 7.016 -5.243 -14.528 1.00 0.00 C ATOM 859 CG GLN A 51 6.566 -5.093 -15.990 1.00 0.00 C ATOM 860 CD GLN A 51 5.183 -5.702 -16.246 1.00 0.00 C ATOM 861 OE1 GLN A 51 4.483 -6.150 -15.340 1.00 0.00 O ATOM 862 NE2 GLN A 51 4.757 -5.721 -17.496 1.00 0.00 N ATOM 0 H GLN A 51 8.902 -3.198 -15.534 1.00 0.00 H new ATOM 0 HA GLN A 51 8.521 -4.759 -13.106 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.015 -6.303 -14.275 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.275 -4.763 -13.889 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.548 -4.036 -16.254 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.296 -5.572 -16.642 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.345 -5.347 -18.241 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.840 -6.110 -17.716 1.00 0.00 H new ATOM 871 N ALA A 52 9.897 -6.605 -14.393 1.00 0.00 N ATOM 872 CA ALA A 52 11.044 -7.392 -14.842 1.00 0.00 C ATOM 873 C ALA A 52 10.863 -8.845 -14.385 1.00 0.00 C ATOM 874 O ALA A 52 9.955 -9.144 -13.605 1.00 0.00 O ATOM 875 CB ALA A 52 12.338 -6.809 -14.249 1.00 0.00 C ATOM 0 H ALA A 52 9.380 -7.059 -13.640 1.00 0.00 H new ATOM 0 HA ALA A 52 11.111 -7.359 -15.929 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.191 -7.399 -14.586 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.457 -5.777 -14.579 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.285 -6.838 -13.161 1.00 0.00 H new ATOM 881 N PHE A 53 11.755 -9.734 -14.817 1.00 0.00 N ATOM 882 CA PHE A 53 11.875 -11.101 -14.322 1.00 0.00 C ATOM 883 C PHE A 53 13.366 -11.401 -14.172 1.00 0.00 C ATOM 884 O PHE A 53 14.204 -10.763 -14.816 1.00 0.00 O ATOM 885 CB PHE A 53 11.244 -12.131 -15.276 1.00 0.00 C ATOM 886 CG PHE A 53 9.770 -11.968 -15.585 1.00 0.00 C ATOM 887 CD1 PHE A 53 9.347 -10.999 -16.516 1.00 0.00 C ATOM 888 CD2 PHE A 53 8.827 -12.842 -15.012 1.00 0.00 C ATOM 889 CE1 PHE A 53 7.985 -10.882 -16.847 1.00 0.00 C ATOM 890 CE2 PHE A 53 7.470 -12.746 -15.371 1.00 0.00 C ATOM 891 CZ PHE A 53 7.048 -11.763 -16.282 1.00 0.00 C ATOM 0 H PHE A 53 12.435 -9.514 -15.545 1.00 0.00 H new ATOM 0 HA PHE A 53 11.343 -11.180 -13.374 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.793 -12.102 -16.217 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.393 -13.123 -14.850 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.071 -10.344 -16.977 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.145 -13.586 -14.297 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.660 -10.116 -17.535 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.751 -13.430 -14.945 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.004 -11.685 -16.548 1.00 0.00 H new ATOM 901 N VAL A 54 13.706 -12.387 -13.349 1.00 0.00 N ATOM 902 CA VAL A 54 15.086 -12.799 -13.124 1.00 0.00 C ATOM 903 C VAL A 54 15.076 -14.267 -12.689 1.00 0.00 C ATOM 904 O VAL A 54 14.108 -14.750 -12.093 1.00 0.00 O ATOM 905 CB VAL A 54 15.805 -11.804 -12.175 1.00 0.00 C ATOM 906 CG1 VAL A 54 14.969 -11.357 -10.965 1.00 0.00 C ATOM 907 CG2 VAL A 54 17.161 -12.286 -11.651 1.00 0.00 C ATOM 0 H VAL A 54 13.025 -12.927 -12.815 1.00 0.00 H new ATOM 0 HA VAL A 54 15.686 -12.756 -14.033 1.00 0.00 H new ATOM 0 HB VAL A 54 15.961 -10.953 -12.838 1.00 0.00 H new ATOM 0 HG11 VAL A 54 15.550 -10.663 -10.357 1.00 0.00 H new ATOM 0 HG12 VAL A 54 14.062 -10.863 -11.312 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.701 -12.228 -10.366 1.00 0.00 H new ATOM 0 HG21 VAL A 54 17.589 -11.527 -10.997 1.00 0.00 H new ATOM 0 HG22 VAL A 54 17.027 -13.213 -11.093 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.834 -12.462 -12.490 1.00 0.00 H new ATOM 917 N ILE A 55 16.139 -14.969 -13.065 1.00 0.00 N ATOM 918 CA ILE A 55 16.338 -16.401 -12.985 1.00 0.00 C ATOM 919 C ILE A 55 17.618 -16.560 -12.162 1.00 0.00 C ATOM 920 O ILE A 55 18.570 -15.797 -12.363 1.00 0.00 O ATOM 921 CB ILE A 55 16.503 -17.000 -14.409 1.00 0.00 C ATOM 922 CG1 ILE A 55 15.326 -16.785 -15.397 1.00 0.00 C ATOM 923 CG2 ILE A 55 16.749 -18.517 -14.314 1.00 0.00 C ATOM 924 CD1 ILE A 55 15.148 -15.363 -15.954 1.00 0.00 C ATOM 0 H ILE A 55 16.952 -14.504 -13.468 1.00 0.00 H new ATOM 0 HA ILE A 55 15.496 -16.923 -12.531 1.00 0.00 H new ATOM 0 HB ILE A 55 17.348 -16.447 -14.819 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.457 -17.466 -16.237 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.402 -17.073 -14.895 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.864 -18.930 -15.316 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.656 -18.703 -13.739 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.902 -18.993 -13.820 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.294 -15.342 -16.631 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.976 -14.669 -15.131 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.047 -15.069 -16.495 1.00 0.00 H new ATOM 936 N PHE A 56 17.668 -17.560 -11.280 1.00 0.00 N ATOM 937 CA PHE A 56 18.718 -17.723 -10.273 1.00 0.00 C ATOM 938 C PHE A 56 19.375 -19.099 -10.370 1.00 0.00 C ATOM 939 O PHE A 56 18.911 -19.961 -11.123 1.00 0.00 O ATOM 940 CB PHE A 56 18.102 -17.511 -8.884 1.00 0.00 C ATOM 941 CG PHE A 56 17.500 -16.133 -8.699 1.00 0.00 C ATOM 942 CD1 PHE A 56 16.175 -15.865 -9.088 1.00 0.00 C ATOM 943 CD2 PHE A 56 18.297 -15.096 -8.187 1.00 0.00 C ATOM 944 CE1 PHE A 56 15.659 -14.568 -8.957 1.00 0.00 C ATOM 945 CE2 PHE A 56 17.770 -13.804 -8.027 1.00 0.00 C ATOM 946 CZ PHE A 56 16.447 -13.540 -8.410 1.00 0.00 C ATOM 0 H PHE A 56 16.963 -18.296 -11.245 1.00 0.00 H new ATOM 0 HA PHE A 56 19.500 -16.984 -10.448 1.00 0.00 H new ATOM 0 HB2 PHE A 56 17.330 -18.262 -8.718 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.869 -17.669 -8.126 1.00 0.00 H new ATOM 0 HD1 PHE A 56 15.557 -16.656 -9.486 1.00 0.00 H new ATOM 0 HD2 PHE A 56 19.323 -15.294 -7.914 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.650 -14.357 -9.278 1.00 0.00 H new ATOM 0 HE2 PHE A 56 18.381 -13.017 -7.611 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.035 -12.550 -8.285 1.00 0.00 H new ATOM 956 N LYS A 57 20.456 -19.321 -9.609 1.00 0.00 N ATOM 957 CA LYS A 57 21.171 -20.603 -9.621 1.00 0.00 C ATOM 958 C LYS A 57 20.254 -21.770 -9.247 1.00 0.00 C ATOM 959 O LYS A 57 20.397 -22.853 -9.814 1.00 0.00 O ATOM 960 CB LYS A 57 22.366 -20.612 -8.651 1.00 0.00 C ATOM 961 CG LYS A 57 23.417 -19.505 -8.805 1.00 0.00 C ATOM 962 CD LYS A 57 23.903 -19.262 -10.242 1.00 0.00 C ATOM 963 CE LYS A 57 25.158 -18.382 -10.189 1.00 0.00 C ATOM 964 NZ LYS A 57 25.515 -17.790 -11.497 1.00 0.00 N ATOM 0 H LYS A 57 20.854 -18.627 -8.976 1.00 0.00 H new ATOM 0 HA LYS A 57 21.530 -20.725 -10.643 1.00 0.00 H new ATOM 0 HB2 LYS A 57 21.974 -20.563 -7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 57 22.873 -21.572 -8.752 1.00 0.00 H new ATOM 0 HG2 LYS A 57 23.002 -18.575 -8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 57 24.278 -19.754 -8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 57 24.125 -20.210 -10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 57 23.124 -18.775 -10.828 1.00 0.00 H new ATOM 0 HE2 LYS A 57 25.001 -17.581 -9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 57 25.996 -18.978 -9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 26.462 -17.365 -11.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 25.512 -18.532 -12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 24.821 -17.056 -11.747 1.00 0.00 H new ATOM 978 N GLU A 58 19.344 -21.570 -8.291 1.00 0.00 N ATOM 979 CA GLU A 58 18.533 -22.631 -7.710 1.00 0.00 C ATOM 980 C GLU A 58 17.231 -22.033 -7.175 1.00 0.00 C ATOM 981 O GLU A 58 17.144 -20.826 -6.929 1.00 0.00 O ATOM 982 CB GLU A 58 19.326 -23.328 -6.579 1.00 0.00 C ATOM 983 CG GLU A 58 19.590 -24.817 -6.850 1.00 0.00 C ATOM 984 CD GLU A 58 18.327 -25.687 -6.708 1.00 0.00 C ATOM 985 OE1 GLU A 58 17.349 -25.460 -7.454 1.00 0.00 O ATOM 986 OE2 GLU A 58 18.314 -26.603 -5.855 1.00 0.00 O ATOM 0 H GLU A 58 19.150 -20.650 -7.896 1.00 0.00 H new ATOM 0 HA GLU A 58 18.290 -23.375 -8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 58 20.279 -22.816 -6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.775 -23.228 -5.644 1.00 0.00 H new ATOM 0 HG2 GLU A 58 19.992 -24.932 -7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 58 20.352 -25.177 -6.159 1.00 0.00 H new ATOM 993 N ILE A 59 16.226 -22.885 -6.962 1.00 0.00 N ATOM 994 CA ILE A 59 14.910 -22.486 -6.465 1.00 0.00 C ATOM 995 C ILE A 59 14.991 -21.888 -5.052 1.00 0.00 C ATOM 996 O ILE A 59 14.220 -20.985 -4.724 1.00 0.00 O ATOM 997 CB ILE A 59 13.915 -23.671 -6.557 1.00 0.00 C ATOM 998 CG1 ILE A 59 14.213 -24.807 -5.547 1.00 0.00 C ATOM 999 CG2 ILE A 59 13.856 -24.213 -7.997 1.00 0.00 C ATOM 1000 CD1 ILE A 59 13.261 -26.006 -5.642 1.00 0.00 C ATOM 0 H ILE A 59 16.306 -23.887 -7.133 1.00 0.00 H new ATOM 0 HA ILE A 59 14.528 -21.690 -7.104 1.00 0.00 H new ATOM 0 HB ILE A 59 12.937 -23.277 -6.282 1.00 0.00 H new ATOM 0 HG12 ILE A 59 15.234 -25.156 -5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 59 14.166 -24.400 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 59 13.153 -25.045 -8.044 1.00 0.00 H new ATOM 0 HG22 ILE A 59 13.528 -23.421 -8.671 1.00 0.00 H new ATOM 0 HG23 ILE A 59 14.846 -24.557 -8.297 1.00 0.00 H new ATOM 0 HD11 ILE A 59 13.542 -26.753 -4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.239 -25.675 -5.455 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.324 -26.443 -6.639 1.00 0.00 H new ATOM 1012 N GLY A 60 15.937 -22.342 -4.223 1.00 0.00 N ATOM 1013 CA GLY A 60 16.142 -21.793 -2.888 1.00 0.00 C ATOM 1014 C GLY A 60 16.739 -20.390 -2.969 1.00 0.00 C ATOM 1015 O GLY A 60 16.305 -19.492 -2.249 1.00 0.00 O ATOM 0 H GLY A 60 16.578 -23.098 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.193 -21.760 -2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.806 -22.444 -2.319 1.00 0.00 H new ATOM 1019 N SER A 61 17.678 -20.175 -3.892 1.00 0.00 N ATOM 1020 CA SER A 61 18.289 -18.873 -4.134 1.00 0.00 C ATOM 1021 C SER A 61 17.229 -17.885 -4.619 1.00 0.00 C ATOM 1022 O SER A 61 17.157 -16.763 -4.117 1.00 0.00 O ATOM 1023 CB SER A 61 19.409 -19.027 -5.179 1.00 0.00 C ATOM 1024 OG SER A 61 20.150 -20.224 -4.988 1.00 0.00 O ATOM 0 H SER A 61 18.038 -20.912 -4.499 1.00 0.00 H new ATOM 0 HA SER A 61 18.718 -18.487 -3.209 1.00 0.00 H new ATOM 0 HB2 SER A 61 18.975 -19.024 -6.179 1.00 0.00 H new ATOM 0 HB3 SER A 61 20.081 -18.171 -5.120 1.00 0.00 H new ATOM 0 HG SER A 61 20.850 -20.288 -5.671 1.00 0.00 H new ATOM 1030 N ALA A 62 16.369 -18.323 -5.546 1.00 0.00 N ATOM 1031 CA ALA A 62 15.251 -17.531 -6.033 1.00 0.00 C ATOM 1032 C ALA A 62 14.313 -17.155 -4.886 1.00 0.00 C ATOM 1033 O ALA A 62 13.941 -15.990 -4.761 1.00 0.00 O ATOM 1034 CB ALA A 62 14.498 -18.335 -7.093 1.00 0.00 C ATOM 0 H ALA A 62 16.436 -19.245 -5.978 1.00 0.00 H new ATOM 0 HA ALA A 62 15.629 -16.608 -6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.657 -17.749 -7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.171 -18.569 -7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.129 -19.261 -6.653 1.00 0.00 H new ATOM 1040 N SER A 63 13.965 -18.119 -4.026 1.00 0.00 N ATOM 1041 CA SER A 63 13.094 -17.881 -2.878 1.00 0.00 C ATOM 1042 C SER A 63 13.697 -16.838 -1.943 1.00 0.00 C ATOM 1043 O SER A 63 13.006 -15.914 -1.512 1.00 0.00 O ATOM 1044 CB SER A 63 12.856 -19.185 -2.107 1.00 0.00 C ATOM 1045 OG SER A 63 12.349 -20.190 -2.956 1.00 0.00 O ATOM 0 H SER A 63 14.281 -19.085 -4.110 1.00 0.00 H new ATOM 0 HA SER A 63 12.142 -17.506 -3.253 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.790 -19.521 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.156 -19.006 -1.291 1.00 0.00 H new ATOM 0 HG SER A 63 13.081 -20.575 -3.481 1.00 0.00 H new ATOM 1051 N ASN A 64 14.988 -16.977 -1.641 1.00 0.00 N ATOM 1052 CA ASN A 64 15.664 -16.108 -0.691 1.00 0.00 C ATOM 1053 C ASN A 64 15.790 -14.690 -1.244 1.00 0.00 C ATOM 1054 O ASN A 64 15.536 -13.731 -0.514 1.00 0.00 O ATOM 1055 CB ASN A 64 17.028 -16.689 -0.306 1.00 0.00 C ATOM 1056 CG ASN A 64 17.630 -15.921 0.864 1.00 0.00 C ATOM 1057 OD1 ASN A 64 17.024 -15.822 1.928 1.00 0.00 O ATOM 1058 ND2 ASN A 64 18.819 -15.372 0.710 1.00 0.00 N ATOM 0 H ASN A 64 15.588 -17.694 -2.049 1.00 0.00 H new ATOM 0 HA ASN A 64 15.061 -16.051 0.215 1.00 0.00 H new ATOM 0 HB2 ASN A 64 16.919 -17.740 -0.040 1.00 0.00 H new ATOM 0 HB3 ASN A 64 17.702 -16.645 -1.161 1.00 0.00 H new ATOM 0 HD21 ASN A 64 19.247 -14.857 1.480 1.00 0.00 H new ATOM 0 HD22 ASN A 64 19.311 -15.462 -0.179 1.00 0.00 H new ATOM 1065 N ALA A 65 16.108 -14.552 -2.535 1.00 0.00 N ATOM 1066 CA ALA A 65 16.112 -13.278 -3.239 1.00 0.00 C ATOM 1067 C ALA A 65 14.737 -12.623 -3.145 1.00 0.00 C ATOM 1068 O ALA A 65 14.626 -11.502 -2.655 1.00 0.00 O ATOM 1069 CB ALA A 65 16.499 -13.490 -4.711 1.00 0.00 C ATOM 0 H ALA A 65 16.374 -15.340 -3.125 1.00 0.00 H new ATOM 0 HA ALA A 65 16.846 -12.620 -2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.499 -12.531 -5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 65 17.494 -13.932 -4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.779 -14.158 -5.184 1.00 0.00 H new ATOM 1075 N LEU A 66 13.696 -13.342 -3.572 1.00 0.00 N ATOM 1076 CA LEU A 66 12.320 -12.865 -3.605 1.00 0.00 C ATOM 1077 C LEU A 66 11.927 -12.359 -2.223 1.00 0.00 C ATOM 1078 O LEU A 66 11.571 -11.194 -2.073 1.00 0.00 O ATOM 1079 CB LEU A 66 11.424 -14.022 -4.086 1.00 0.00 C ATOM 1080 CG LEU A 66 9.983 -13.681 -4.501 1.00 0.00 C ATOM 1081 CD1 LEU A 66 9.335 -14.973 -5.007 1.00 0.00 C ATOM 1082 CD2 LEU A 66 9.112 -13.073 -3.397 1.00 0.00 C ATOM 0 H LEU A 66 13.795 -14.298 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 66 12.203 -12.030 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.915 -14.496 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.377 -14.765 -3.289 1.00 0.00 H new ATOM 0 HG LEU A 66 10.046 -12.907 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.308 -14.770 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.898 -15.353 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.337 -15.717 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.116 -12.869 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.037 -13.774 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.562 -12.143 -3.049 1.00 0.00 H new ATOM 1094 N ARG A 67 12.027 -13.213 -1.202 1.00 0.00 N ATOM 1095 CA ARG A 67 11.546 -12.884 0.132 1.00 0.00 C ATOM 1096 C ARG A 67 12.335 -11.719 0.731 1.00 0.00 C ATOM 1097 O ARG A 67 11.727 -10.862 1.366 1.00 0.00 O ATOM 1098 CB ARG A 67 11.606 -14.146 1.009 1.00 0.00 C ATOM 1099 CG ARG A 67 10.998 -13.948 2.412 1.00 0.00 C ATOM 1100 CD ARG A 67 12.053 -13.781 3.519 1.00 0.00 C ATOM 1101 NE ARG A 67 12.812 -15.032 3.729 1.00 0.00 N ATOM 1102 CZ ARG A 67 14.085 -15.273 3.384 1.00 0.00 C ATOM 1103 NH1 ARG A 67 14.873 -14.314 2.920 1.00 0.00 N ATOM 1104 NH2 ARG A 67 14.590 -16.496 3.481 1.00 0.00 N ATOM 0 H ARG A 67 12.440 -14.142 -1.280 1.00 0.00 H new ATOM 0 HA ARG A 67 10.510 -12.551 0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.079 -14.955 0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.645 -14.458 1.113 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.354 -13.069 2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.366 -14.803 2.650 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.739 -12.977 3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.565 -13.489 4.449 1.00 0.00 H new ATOM 0 HE ARG A 67 12.313 -15.795 4.186 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.515 -13.364 2.818 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.838 -14.525 2.665 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.009 -17.262 3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.560 -16.670 3.216 1.00 0.00 H new ATOM 1118 N THR A 68 13.659 -11.658 0.544 1.00 0.00 N ATOM 1119 CA THR A 68 14.450 -10.563 1.110 1.00 0.00 C ATOM 1120 C THR A 68 14.119 -9.241 0.411 1.00 0.00 C ATOM 1121 O THR A 68 13.968 -8.212 1.073 1.00 0.00 O ATOM 1122 CB THR A 68 15.956 -10.872 1.029 1.00 0.00 C ATOM 1123 OG1 THR A 68 16.210 -12.170 1.523 1.00 0.00 O ATOM 1124 CG2 THR A 68 16.776 -9.896 1.875 1.00 0.00 C ATOM 0 H THR A 68 14.197 -12.343 0.013 1.00 0.00 H new ATOM 0 HA THR A 68 14.189 -10.463 2.163 1.00 0.00 H new ATOM 0 HB THR A 68 16.244 -10.784 -0.019 1.00 0.00 H new ATOM 0 HG1 THR A 68 16.033 -12.828 0.819 1.00 0.00 H new ATOM 0 HG21 THR A 68 17.834 -10.144 1.794 1.00 0.00 H new ATOM 0 HG22 THR A 68 16.613 -8.879 1.518 1.00 0.00 H new ATOM 0 HG23 THR A 68 16.465 -9.968 2.917 1.00 0.00 H new ATOM 1132 N MET A 69 13.987 -9.258 -0.917 1.00 0.00 N ATOM 1133 CA MET A 69 13.824 -8.045 -1.711 1.00 0.00 C ATOM 1134 C MET A 69 12.359 -7.595 -1.783 1.00 0.00 C ATOM 1135 O MET A 69 12.079 -6.498 -2.260 1.00 0.00 O ATOM 1136 CB MET A 69 14.444 -8.250 -3.103 1.00 0.00 C ATOM 1137 CG MET A 69 15.953 -8.557 -3.037 1.00 0.00 C ATOM 1138 SD MET A 69 16.981 -7.340 -2.161 1.00 0.00 S ATOM 1139 CE MET A 69 16.831 -5.908 -3.261 1.00 0.00 C ATOM 0 H MET A 69 13.991 -10.115 -1.470 1.00 0.00 H new ATOM 0 HA MET A 69 14.356 -7.232 -1.217 1.00 0.00 H new ATOM 0 HB2 MET A 69 13.932 -9.069 -3.609 1.00 0.00 H new ATOM 0 HB3 MET A 69 14.284 -7.355 -3.704 1.00 0.00 H new ATOM 0 HG2 MET A 69 16.085 -9.526 -2.556 1.00 0.00 H new ATOM 0 HG3 MET A 69 16.328 -8.653 -4.056 1.00 0.00 H new ATOM 0 HE1 MET A 69 17.335 -5.051 -2.814 1.00 0.00 H new ATOM 0 HE2 MET A 69 17.290 -6.138 -4.222 1.00 0.00 H new ATOM 0 HE3 MET A 69 15.777 -5.672 -3.410 1.00 0.00 H new ATOM 1149 N GLN A 70 11.418 -8.406 -1.297 1.00 0.00 N ATOM 1150 CA GLN A 70 10.008 -8.059 -1.182 1.00 0.00 C ATOM 1151 C GLN A 70 9.863 -6.761 -0.381 1.00 0.00 C ATOM 1152 O GLN A 70 10.323 -6.678 0.761 1.00 0.00 O ATOM 1153 CB GLN A 70 9.268 -9.243 -0.524 1.00 0.00 C ATOM 1154 CG GLN A 70 7.739 -9.135 -0.493 1.00 0.00 C ATOM 1155 CD GLN A 70 7.129 -9.241 -1.890 1.00 0.00 C ATOM 1156 OE1 GLN A 70 7.179 -8.302 -2.680 1.00 0.00 O ATOM 1157 NE2 GLN A 70 6.564 -10.385 -2.238 1.00 0.00 N ATOM 0 H GLN A 70 11.626 -9.348 -0.964 1.00 0.00 H new ATOM 0 HA GLN A 70 9.564 -7.881 -2.162 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.539 -10.157 -1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.627 -9.349 0.500 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.333 -9.923 0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.452 -8.185 -0.043 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.528 -11.159 -1.574 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.164 -10.494 -3.170 1.00 0.00 H new ATOM 1166 N GLY A 71 9.241 -5.741 -0.980 1.00 0.00 N ATOM 1167 CA GLY A 71 9.039 -4.434 -0.361 1.00 0.00 C ATOM 1168 C GLY A 71 10.315 -3.593 -0.250 1.00 0.00 C ATOM 1169 O GLY A 71 10.252 -2.489 0.293 1.00 0.00 O ATOM 0 H GLY A 71 8.859 -5.805 -1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.300 -3.880 -0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.622 -4.576 0.636 1.00 0.00 H new ATOM 1173 N PHE A 72 11.470 -4.078 -0.721 1.00 0.00 N ATOM 1174 CA PHE A 72 12.739 -3.373 -0.555 1.00 0.00 C ATOM 1175 C PHE A 72 12.781 -2.151 -1.486 1.00 0.00 C ATOM 1176 O PHE A 72 12.376 -2.276 -2.645 1.00 0.00 O ATOM 1177 CB PHE A 72 13.906 -4.326 -0.847 1.00 0.00 C ATOM 1178 CG PHE A 72 15.272 -3.735 -0.556 1.00 0.00 C ATOM 1179 CD1 PHE A 72 15.814 -3.811 0.742 1.00 0.00 C ATOM 1180 CD2 PHE A 72 15.994 -3.088 -1.576 1.00 0.00 C ATOM 1181 CE1 PHE A 72 17.069 -3.238 1.015 1.00 0.00 C ATOM 1182 CE2 PHE A 72 17.247 -2.513 -1.302 1.00 0.00 C ATOM 1183 CZ PHE A 72 17.785 -2.587 -0.005 1.00 0.00 C ATOM 0 H PHE A 72 11.548 -4.962 -1.223 1.00 0.00 H new ATOM 0 HA PHE A 72 12.830 -3.024 0.474 1.00 0.00 H new ATOM 0 HB2 PHE A 72 13.779 -5.232 -0.254 1.00 0.00 H new ATOM 0 HB3 PHE A 72 13.866 -4.623 -1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.266 -4.309 1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.584 -3.033 -2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 72 17.484 -3.298 2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 72 17.796 -2.015 -2.087 1.00 0.00 H new ATOM 0 HZ PHE A 72 18.747 -2.144 0.207 1.00 0.00 H new ATOM 1193 N PRO A 73 13.286 -0.984 -1.046 1.00 0.00 N ATOM 1194 CA PRO A 73 13.503 0.177 -1.902 1.00 0.00 C ATOM 1195 C PRO A 73 14.738 -0.039 -2.795 1.00 0.00 C ATOM 1196 O PRO A 73 15.831 0.460 -2.522 1.00 0.00 O ATOM 1197 CB PRO A 73 13.622 1.364 -0.945 1.00 0.00 C ATOM 1198 CG PRO A 73 14.247 0.744 0.304 1.00 0.00 C ATOM 1199 CD PRO A 73 13.650 -0.664 0.329 1.00 0.00 C ATOM 0 HA PRO A 73 12.690 0.355 -2.605 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.249 2.154 -1.359 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.650 1.808 -0.731 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.335 0.719 0.240 1.00 0.00 H new ATOM 0 HG3 PRO A 73 13.993 1.306 1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.371 -1.384 0.717 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.777 -0.704 0.981 1.00 0.00 H new ATOM 1207 N PHE A 74 14.565 -0.829 -3.860 1.00 0.00 N ATOM 1208 CA PHE A 74 15.588 -1.089 -4.880 1.00 0.00 C ATOM 1209 C PHE A 74 16.030 0.229 -5.532 1.00 0.00 C ATOM 1210 O PHE A 74 17.208 0.422 -5.830 1.00 0.00 O ATOM 1211 CB PHE A 74 14.978 -2.062 -5.893 1.00 0.00 C ATOM 1212 CG PHE A 74 15.831 -2.506 -7.067 1.00 0.00 C ATOM 1213 CD1 PHE A 74 16.873 -3.431 -6.868 1.00 0.00 C ATOM 1214 CD2 PHE A 74 15.488 -2.116 -8.377 1.00 0.00 C ATOM 1215 CE1 PHE A 74 17.561 -3.972 -7.971 1.00 0.00 C ATOM 1216 CE2 PHE A 74 16.176 -2.656 -9.478 1.00 0.00 C ATOM 1217 CZ PHE A 74 17.199 -3.598 -9.277 1.00 0.00 C ATOM 0 H PHE A 74 13.688 -1.318 -4.042 1.00 0.00 H new ATOM 0 HA PHE A 74 16.484 -1.533 -4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.668 -2.955 -5.351 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.075 -1.602 -6.293 1.00 0.00 H new ATOM 0 HD1 PHE A 74 17.146 -3.727 -5.866 1.00 0.00 H new ATOM 0 HD2 PHE A 74 14.695 -1.401 -8.536 1.00 0.00 H new ATOM 0 HE1 PHE A 74 18.367 -4.674 -7.814 1.00 0.00 H new ATOM 0 HE2 PHE A 74 15.918 -2.346 -10.480 1.00 0.00 H new ATOM 0 HZ PHE A 74 17.707 -4.034 -10.125 1.00 0.00 H new ATOM 1227 N TYR A 75 15.068 1.140 -5.681 1.00 0.00 N ATOM 1228 CA TYR A 75 15.203 2.535 -6.062 1.00 0.00 C ATOM 1229 C TYR A 75 14.104 3.272 -5.284 1.00 0.00 C ATOM 1230 O TYR A 75 13.611 2.751 -4.280 1.00 0.00 O ATOM 1231 CB TYR A 75 15.135 2.676 -7.599 1.00 0.00 C ATOM 1232 CG TYR A 75 16.494 2.552 -8.265 1.00 0.00 C ATOM 1233 CD1 TYR A 75 17.398 3.632 -8.194 1.00 0.00 C ATOM 1234 CD2 TYR A 75 16.864 1.375 -8.943 1.00 0.00 C ATOM 1235 CE1 TYR A 75 18.660 3.545 -8.805 1.00 0.00 C ATOM 1236 CE2 TYR A 75 18.128 1.280 -9.556 1.00 0.00 C ATOM 1237 CZ TYR A 75 19.030 2.367 -9.494 1.00 0.00 C ATOM 1238 OH TYR A 75 20.244 2.280 -10.109 1.00 0.00 O ATOM 0 H TYR A 75 14.091 0.893 -5.523 1.00 0.00 H new ATOM 0 HA TYR A 75 16.167 2.975 -5.807 1.00 0.00 H new ATOM 0 HB2 TYR A 75 14.469 1.912 -8.000 1.00 0.00 H new ATOM 0 HB3 TYR A 75 14.699 3.643 -7.851 1.00 0.00 H new ATOM 0 HD1 TYR A 75 17.118 4.532 -7.666 1.00 0.00 H new ATOM 0 HD2 TYR A 75 16.177 0.543 -8.993 1.00 0.00 H new ATOM 0 HE1 TYR A 75 19.347 4.377 -8.749 1.00 0.00 H new ATOM 0 HE2 TYR A 75 18.409 0.375 -10.074 1.00 0.00 H new ATOM 0 HH TYR A 75 20.334 1.401 -10.533 1.00 0.00 H new ATOM 1248 N ASP A 76 13.703 4.470 -5.715 1.00 0.00 N ATOM 1249 CA ASP A 76 12.688 5.312 -5.068 1.00 0.00 C ATOM 1250 C ASP A 76 11.259 4.718 -5.101 1.00 0.00 C ATOM 1251 O ASP A 76 10.275 5.444 -4.950 1.00 0.00 O ATOM 1252 CB ASP A 76 12.746 6.718 -5.693 1.00 0.00 C ATOM 1253 CG ASP A 76 11.943 7.769 -4.901 1.00 0.00 C ATOM 1254 OD1 ASP A 76 12.127 7.883 -3.667 1.00 0.00 O ATOM 1255 OD2 ASP A 76 11.176 8.541 -5.521 1.00 0.00 O ATOM 0 H ASP A 76 14.090 4.899 -6.556 1.00 0.00 H new ATOM 0 HA ASP A 76 12.926 5.366 -4.006 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.786 7.037 -5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.364 6.671 -6.713 1.00 0.00 H new ATOM 1260 N LYS A 77 11.113 3.401 -5.299 1.00 0.00 N ATOM 1261 CA LYS A 77 9.859 2.669 -5.150 1.00 0.00 C ATOM 1262 C LYS A 77 10.158 1.344 -4.444 1.00 0.00 C ATOM 1263 O LYS A 77 11.173 0.718 -4.766 1.00 0.00 O ATOM 1264 CB LYS A 77 9.203 2.382 -6.512 1.00 0.00 C ATOM 1265 CG LYS A 77 8.655 3.631 -7.215 1.00 0.00 C ATOM 1266 CD LYS A 77 7.729 3.235 -8.375 1.00 0.00 C ATOM 1267 CE LYS A 77 7.168 4.487 -9.064 1.00 0.00 C ATOM 1268 NZ LYS A 77 6.128 4.158 -10.073 1.00 0.00 N ATOM 0 H LYS A 77 11.891 2.802 -5.576 1.00 0.00 H new ATOM 0 HA LYS A 77 9.165 3.277 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.935 1.903 -7.163 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.389 1.671 -6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.109 4.247 -6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.481 4.235 -7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.278 2.630 -9.097 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.910 2.620 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.744 5.153 -8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.981 5.028 -9.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.780 5.035 -10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.537 3.544 -10.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.338 3.665 -9.609 1.00 0.00 H new ATOM 1282 N PRO A 78 9.300 0.891 -3.511 1.00 0.00 N ATOM 1283 CA PRO A 78 9.421 -0.433 -2.924 1.00 0.00 C ATOM 1284 C PRO A 78 9.067 -1.478 -3.985 1.00 0.00 C ATOM 1285 O PRO A 78 8.032 -1.374 -4.649 1.00 0.00 O ATOM 1286 CB PRO A 78 8.445 -0.450 -1.744 1.00 0.00 C ATOM 1287 CG PRO A 78 7.365 0.553 -2.149 1.00 0.00 C ATOM 1288 CD PRO A 78 8.130 1.581 -2.983 1.00 0.00 C ATOM 0 HA PRO A 78 10.429 -0.663 -2.578 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.028 -1.444 -1.584 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.935 -0.157 -0.815 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.572 0.078 -2.726 1.00 0.00 H new ATOM 0 HG3 PRO A 78 6.895 1.011 -1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 78 7.508 1.966 -3.791 1.00 0.00 H new ATOM 0 HD3 PRO A 78 8.425 2.435 -2.373 1.00 0.00 H new ATOM 1296 N MET A 79 9.916 -2.491 -4.138 1.00 0.00 N ATOM 1297 CA MET A 79 9.674 -3.604 -5.047 1.00 0.00 C ATOM 1298 C MET A 79 8.433 -4.372 -4.607 1.00 0.00 C ATOM 1299 O MET A 79 8.139 -4.464 -3.413 1.00 0.00 O ATOM 1300 CB MET A 79 10.878 -4.555 -5.031 1.00 0.00 C ATOM 1301 CG MET A 79 12.145 -3.905 -5.582 1.00 0.00 C ATOM 1302 SD MET A 79 12.159 -3.647 -7.378 1.00 0.00 S ATOM 1303 CE MET A 79 13.380 -4.908 -7.836 1.00 0.00 C ATOM 0 H MET A 79 10.798 -2.561 -3.630 1.00 0.00 H new ATOM 0 HA MET A 79 9.525 -3.212 -6.053 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.060 -4.889 -4.009 1.00 0.00 H new ATOM 0 HB3 MET A 79 10.644 -5.442 -5.619 1.00 0.00 H new ATOM 0 HG2 MET A 79 12.284 -2.942 -5.091 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.000 -4.526 -5.313 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.787 -4.679 -8.821 1.00 0.00 H new ATOM 0 HE2 MET A 79 14.187 -4.917 -7.103 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.901 -5.887 -7.860 1.00 0.00 H new ATOM 1313 N GLN A 80 7.744 -4.991 -5.557 1.00 0.00 N ATOM 1314 CA GLN A 80 6.672 -5.945 -5.316 1.00 0.00 C ATOM 1315 C GLN A 80 7.068 -7.153 -6.155 1.00 0.00 C ATOM 1316 O GLN A 80 7.422 -6.988 -7.323 1.00 0.00 O ATOM 1317 CB GLN A 80 5.317 -5.349 -5.734 1.00 0.00 C ATOM 1318 CG GLN A 80 4.882 -4.137 -4.890 1.00 0.00 C ATOM 1319 CD GLN A 80 4.493 -4.516 -3.457 1.00 0.00 C ATOM 1320 OE1 GLN A 80 3.329 -4.779 -3.164 1.00 0.00 O ATOM 1321 NE2 GLN A 80 5.439 -4.553 -2.532 1.00 0.00 N ATOM 0 H GLN A 80 7.923 -4.837 -6.549 1.00 0.00 H new ATOM 0 HA GLN A 80 6.549 -6.211 -4.266 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.370 -5.050 -6.781 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.553 -6.123 -5.662 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.695 -3.411 -4.860 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.036 -3.649 -5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.404 -4.334 -2.780 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.203 -4.801 -1.571 1.00 0.00 H new ATOM 1330 N ILE A 81 7.086 -8.347 -5.568 1.00 0.00 N ATOM 1331 CA ILE A 81 7.663 -9.525 -6.206 1.00 0.00 C ATOM 1332 C ILE A 81 6.726 -10.717 -5.994 1.00 0.00 C ATOM 1333 O ILE A 81 6.028 -10.795 -4.979 1.00 0.00 O ATOM 1334 CB ILE A 81 9.099 -9.795 -5.667 1.00 0.00 C ATOM 1335 CG1 ILE A 81 9.906 -8.505 -5.363 1.00 0.00 C ATOM 1336 CG2 ILE A 81 9.874 -10.663 -6.672 1.00 0.00 C ATOM 1337 CD1 ILE A 81 11.378 -8.709 -4.992 1.00 0.00 C ATOM 0 H ILE A 81 6.702 -8.524 -4.640 1.00 0.00 H new ATOM 0 HA ILE A 81 7.763 -9.357 -7.278 1.00 0.00 H new ATOM 0 HB ILE A 81 8.978 -10.315 -4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.858 -7.855 -6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.415 -7.977 -4.546 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.878 -10.850 -6.292 1.00 0.00 H new ATOM 0 HG22 ILE A 81 9.355 -11.612 -6.809 1.00 0.00 H new ATOM 0 HG23 ILE A 81 9.939 -10.143 -7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.842 -7.742 -4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.445 -9.327 -4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.895 -9.204 -5.814 1.00 0.00 H new ATOM 1349 N ALA A 82 6.736 -11.656 -6.937 1.00 0.00 N ATOM 1350 CA ALA A 82 6.054 -12.939 -6.871 1.00 0.00 C ATOM 1351 C ALA A 82 6.943 -13.987 -7.545 1.00 0.00 C ATOM 1352 O ALA A 82 7.851 -13.643 -8.304 1.00 0.00 O ATOM 1353 CB ALA A 82 4.693 -12.840 -7.573 1.00 0.00 C ATOM 0 H ALA A 82 7.247 -11.533 -7.811 1.00 0.00 H new ATOM 0 HA ALA A 82 5.875 -13.227 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.186 -13.803 -7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.084 -12.082 -7.080 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.841 -12.564 -8.617 1.00 0.00 H new ATOM 1359 N TYR A 83 6.692 -15.267 -7.279 1.00 0.00 N ATOM 1360 CA TYR A 83 7.387 -16.360 -7.945 1.00 0.00 C ATOM 1361 C TYR A 83 6.672 -16.628 -9.267 1.00 0.00 C ATOM 1362 O TYR A 83 5.438 -16.604 -9.321 1.00 0.00 O ATOM 1363 CB TYR A 83 7.436 -17.602 -7.037 1.00 0.00 C ATOM 1364 CG TYR A 83 6.099 -18.133 -6.540 1.00 0.00 C ATOM 1365 CD1 TYR A 83 5.437 -17.500 -5.468 1.00 0.00 C ATOM 1366 CD2 TYR A 83 5.530 -19.276 -7.133 1.00 0.00 C ATOM 1367 CE1 TYR A 83 4.195 -17.981 -5.016 1.00 0.00 C ATOM 1368 CE2 TYR A 83 4.298 -19.775 -6.673 1.00 0.00 C ATOM 1369 CZ TYR A 83 3.616 -19.120 -5.621 1.00 0.00 C ATOM 1370 OH TYR A 83 2.402 -19.584 -5.215 1.00 0.00 O ATOM 0 H TYR A 83 6.000 -15.573 -6.595 1.00 0.00 H new ATOM 0 HA TYR A 83 8.424 -16.097 -8.151 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.940 -18.402 -7.580 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.053 -17.367 -6.170 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.886 -16.641 -4.991 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.042 -19.772 -7.945 1.00 0.00 H new ATOM 0 HE1 TYR A 83 3.684 -17.480 -4.207 1.00 0.00 H new ATOM 0 HE2 TYR A 83 3.872 -20.659 -7.124 1.00 0.00 H new ATOM 0 HH TYR A 83 2.160 -20.374 -5.743 1.00 0.00 H new