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 28 TYR OH : rot 180:sc= 0.0114 USER MOD Set 1.2: A 36 GLN : amide:sc= 1.24 K(o=1.3,f=0.35) USER MOD Set 2.1: A 26 SER OG : rot 81:sc= 2.3 USER MOD Set 2.2: A 75 TYR OH : rot -173:sc= 1.22 USER MOD Set 3.1: A 10 TYR OH : rot -27:sc= 0.0363 USER MOD Set 3.2: A 12 ASN : amide:sc= 0.833 K(o=1.6,f=0.18) USER MOD Set 3.3: A 51 GLN : amide:sc= 0.718 K(o=1.6,f=-0.32) USER MOD Single : A 6 ASN : amide:sc= 0.384 X(o=0.38,f=-0.0097) USER MOD Single : A 7 GLN : amide:sc= 0.789 K(o=0.79,f=-0.3) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0448 USER MOD Single : A 13 ASN : amide:sc= 0.911 K(o=0.91,f=-0.32) USER MOD Single : A 15 ASN : amide:sc= -0.157 K(o=-0.16,f=-6.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= 1.26 (180deg=1.2) USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 1.17 (180deg=1.16) 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 32 SER OG : rot 172:sc= 0.0102 USER MOD Single : A 33 GLN : amide:sc= 0.375 X(o=0.38,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 83:sc= 1.01 USER MOD Single : A 64 ASN : amide:sc= 1.11 K(o=1.1,f=-0.033) USER MOD Single : A 68 THR OG1 : rot 97:sc= 1.24 USER MOD Single : A 69 MET CE :methyl 171:sc= -1.73 (180deg=-1.86) USER MOD Single : A 70 GLN : amide:sc= 1.02 K(o=1,f=-6.5!) USER MOD Single : A 77 LYS NZ :NH3+ 159:sc= 1.27 (180deg=1.18) USER MOD Single : A 79 MET CE :methyl -166:sc= -0.0437 (180deg=-0.558) USER MOD Single : A 80 GLN : amide:sc= 0.885 K(o=0.88,f=-0.042) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 5 8.991 -22.101 -3.903 1.00 0.00 N ATOM 72 CA PRO A 5 10.145 -22.083 -4.792 1.00 0.00 C ATOM 73 C PRO A 5 9.787 -22.219 -6.271 1.00 0.00 C ATOM 74 O PRO A 5 8.889 -22.974 -6.656 1.00 0.00 O ATOM 75 CB PRO A 5 11.050 -23.226 -4.327 1.00 0.00 C ATOM 76 CG PRO A 5 10.713 -23.349 -2.848 1.00 0.00 C ATOM 77 CD PRO A 5 9.215 -23.048 -2.821 1.00 0.00 C ATOM 0 HA PRO A 5 10.642 -21.115 -4.730 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.843 -24.150 -4.866 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.104 -22.996 -4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.933 -24.345 -2.464 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.280 -22.641 -2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.629 -23.956 -2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.916 -22.626 -1.861 1.00 0.00 H new ATOM 85 N ASN A 6 10.559 -21.515 -7.096 1.00 0.00 N ATOM 86 CA ASN A 6 10.611 -21.586 -8.550 1.00 0.00 C ATOM 87 C ASN A 6 11.993 -21.050 -8.925 1.00 0.00 C ATOM 88 O ASN A 6 12.526 -20.232 -8.178 1.00 0.00 O ATOM 89 CB ASN A 6 9.521 -20.696 -9.170 1.00 0.00 C ATOM 90 CG ASN A 6 9.557 -20.760 -10.693 1.00 0.00 C ATOM 91 OD1 ASN A 6 9.486 -21.835 -11.277 1.00 0.00 O ATOM 92 ND2 ASN A 6 9.706 -19.635 -11.370 1.00 0.00 N ATOM 0 H ASN A 6 11.217 -20.825 -6.733 1.00 0.00 H new ATOM 0 HA ASN A 6 10.446 -22.600 -8.913 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.541 -21.014 -8.813 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.660 -19.665 -8.843 1.00 0.00 H new ATOM 0 HD21 ASN A 6 9.763 -19.656 -12.388 1.00 0.00 H new ATOM 0 HD22 ASN A 6 9.764 -18.745 -10.874 1.00 0.00 H new ATOM 99 N GLN A 7 12.595 -21.463 -10.043 1.00 0.00 N ATOM 100 CA GLN A 7 13.948 -21.006 -10.397 1.00 0.00 C ATOM 101 C GLN A 7 13.984 -19.509 -10.767 1.00 0.00 C ATOM 102 O GLN A 7 15.058 -18.912 -10.848 1.00 0.00 O ATOM 103 CB GLN A 7 14.521 -21.904 -11.511 1.00 0.00 C ATOM 104 CG GLN A 7 16.035 -21.701 -11.683 1.00 0.00 C ATOM 105 CD GLN A 7 16.724 -22.667 -12.645 1.00 0.00 C ATOM 106 OE1 GLN A 7 16.149 -23.626 -13.158 1.00 0.00 O ATOM 107 NE2 GLN A 7 17.996 -22.417 -12.908 1.00 0.00 N ATOM 0 H GLN A 7 12.175 -22.106 -10.715 1.00 0.00 H new ATOM 0 HA GLN A 7 14.586 -21.100 -9.518 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.318 -22.949 -11.276 1.00 0.00 H new ATOM 0 HB3 GLN A 7 14.015 -21.685 -12.451 1.00 0.00 H new ATOM 0 HG2 GLN A 7 16.210 -20.683 -12.031 1.00 0.00 H new ATOM 0 HG3 GLN A 7 16.509 -21.790 -10.705 1.00 0.00 H new ATOM 0 HE21 GLN A 7 18.459 -21.618 -12.475 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.514 -23.023 -13.544 1.00 0.00 H new ATOM 116 N THR A 8 12.824 -18.892 -10.979 1.00 0.00 N ATOM 117 CA THR A 8 12.681 -17.556 -11.533 1.00 0.00 C ATOM 118 C THR A 8 11.658 -16.800 -10.676 1.00 0.00 C ATOM 119 O THR A 8 10.818 -17.420 -10.009 1.00 0.00 O ATOM 120 CB THR A 8 12.263 -17.708 -13.014 1.00 0.00 C ATOM 121 OG1 THR A 8 13.131 -18.614 -13.676 1.00 0.00 O ATOM 122 CG2 THR A 8 12.253 -16.403 -13.817 1.00 0.00 C ATOM 0 H THR A 8 11.928 -19.328 -10.760 1.00 0.00 H new ATOM 0 HA THR A 8 13.605 -16.978 -11.513 1.00 0.00 H new ATOM 0 HB THR A 8 11.237 -18.073 -12.975 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.857 -18.705 -14.612 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.948 -16.609 -14.843 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.552 -15.702 -13.364 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.252 -15.968 -13.816 1.00 0.00 H new ATOM 130 N ILE A 9 11.708 -15.468 -10.703 1.00 0.00 N ATOM 131 CA ILE A 9 10.768 -14.591 -10.007 1.00 0.00 C ATOM 132 C ILE A 9 10.306 -13.501 -10.984 1.00 0.00 C ATOM 133 O ILE A 9 10.885 -13.335 -12.062 1.00 0.00 O ATOM 134 CB ILE A 9 11.386 -14.032 -8.695 1.00 0.00 C ATOM 135 CG1 ILE A 9 12.340 -12.850 -8.974 1.00 0.00 C ATOM 136 CG2 ILE A 9 12.061 -15.151 -7.872 1.00 0.00 C ATOM 137 CD1 ILE A 9 13.140 -12.349 -7.765 1.00 0.00 C ATOM 0 H ILE A 9 12.421 -14.957 -11.223 1.00 0.00 H new ATOM 0 HA ILE A 9 9.888 -15.150 -9.688 1.00 0.00 H new ATOM 0 HB ILE A 9 10.573 -13.637 -8.086 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.041 -13.148 -9.754 1.00 0.00 H new ATOM 0 HG13 ILE A 9 11.756 -12.020 -9.371 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.484 -14.728 -6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.321 -15.908 -7.612 1.00 0.00 H new ATOM 0 HG23 ILE A 9 12.855 -15.608 -8.462 1.00 0.00 H new ATOM 0 HD11 ILE A 9 13.778 -11.519 -8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 9 12.453 -12.013 -6.988 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.759 -13.158 -7.377 1.00 0.00 H new ATOM 149 N TYR A 10 9.282 -12.748 -10.593 1.00 0.00 N ATOM 150 CA TYR A 10 8.650 -11.679 -11.351 1.00 0.00 C ATOM 151 C TYR A 10 8.611 -10.462 -10.435 1.00 0.00 C ATOM 152 O TYR A 10 8.316 -10.593 -9.247 1.00 0.00 O ATOM 153 CB TYR A 10 7.243 -12.145 -11.747 1.00 0.00 C ATOM 154 CG TYR A 10 6.291 -11.119 -12.335 1.00 0.00 C ATOM 155 CD1 TYR A 10 6.705 -10.244 -13.359 1.00 0.00 C ATOM 156 CD2 TYR A 10 4.946 -11.109 -11.913 1.00 0.00 C ATOM 157 CE1 TYR A 10 5.780 -9.383 -13.974 1.00 0.00 C ATOM 158 CE2 TYR A 10 4.015 -10.251 -12.522 1.00 0.00 C ATOM 159 CZ TYR A 10 4.426 -9.394 -13.568 1.00 0.00 C ATOM 160 OH TYR A 10 3.528 -8.587 -14.198 1.00 0.00 O ATOM 0 H TYR A 10 8.846 -12.878 -9.680 1.00 0.00 H new ATOM 0 HA TYR A 10 9.188 -11.425 -12.265 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.350 -12.954 -12.470 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.770 -12.570 -10.861 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.738 -10.235 -13.673 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.629 -11.765 -11.116 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.104 -8.713 -14.757 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.987 -10.246 -12.191 1.00 0.00 H new ATOM 0 HH TYR A 10 3.991 -7.803 -14.561 1.00 0.00 H new ATOM 170 N ILE A 11 8.938 -9.294 -10.982 1.00 0.00 N ATOM 171 CA ILE A 11 9.170 -8.050 -10.261 1.00 0.00 C ATOM 172 C ILE A 11 8.228 -7.012 -10.875 1.00 0.00 C ATOM 173 O ILE A 11 7.947 -7.030 -12.078 1.00 0.00 O ATOM 174 CB ILE A 11 10.674 -7.669 -10.362 1.00 0.00 C ATOM 175 CG1 ILE A 11 11.538 -8.685 -9.573 1.00 0.00 C ATOM 176 CG2 ILE A 11 10.960 -6.236 -9.870 1.00 0.00 C ATOM 177 CD1 ILE A 11 13.052 -8.573 -9.796 1.00 0.00 C ATOM 0 H ILE A 11 9.053 -9.187 -11.990 1.00 0.00 H new ATOM 0 HA ILE A 11 8.957 -8.127 -9.195 1.00 0.00 H new ATOM 0 HB ILE A 11 10.939 -7.703 -11.419 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.334 -8.561 -8.509 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.221 -9.692 -9.843 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.025 -6.025 -9.964 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.395 -5.525 -10.473 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.662 -6.144 -8.826 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.564 -9.327 -9.199 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.277 -8.730 -10.851 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.391 -7.581 -9.497 1.00 0.00 H new ATOM 189 N ASN A 12 7.732 -6.109 -10.036 1.00 0.00 N ATOM 190 CA ASN A 12 6.746 -5.091 -10.354 1.00 0.00 C ATOM 191 C ASN A 12 6.975 -3.882 -9.447 1.00 0.00 C ATOM 192 O ASN A 12 7.732 -3.961 -8.474 1.00 0.00 O ATOM 193 CB ASN A 12 5.328 -5.664 -10.144 1.00 0.00 C ATOM 194 CG ASN A 12 4.517 -5.589 -11.426 1.00 0.00 C ATOM 195 OD1 ASN A 12 3.554 -4.834 -11.524 1.00 0.00 O ATOM 196 ND2 ASN A 12 4.905 -6.351 -12.433 1.00 0.00 N ATOM 0 H ASN A 12 8.027 -6.069 -9.060 1.00 0.00 H new ATOM 0 HA ASN A 12 6.845 -4.782 -11.395 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.396 -6.700 -9.812 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.820 -5.109 -9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.401 -6.321 -13.319 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.709 -6.969 -12.324 1.00 0.00 H new ATOM 203 N ASN A 13 6.297 -2.770 -9.753 1.00 0.00 N ATOM 204 CA ASN A 13 6.503 -1.453 -9.133 1.00 0.00 C ATOM 205 C ASN A 13 7.981 -1.019 -9.145 1.00 0.00 C ATOM 206 O ASN A 13 8.432 -0.260 -8.286 1.00 0.00 O ATOM 207 CB ASN A 13 5.868 -1.406 -7.731 1.00 0.00 C ATOM 208 CG ASN A 13 5.668 0.029 -7.249 1.00 0.00 C ATOM 209 OD1 ASN A 13 5.079 0.854 -7.944 1.00 0.00 O ATOM 210 ND2 ASN A 13 6.109 0.360 -6.047 1.00 0.00 N ATOM 0 H ASN A 13 5.565 -2.760 -10.463 1.00 0.00 H new ATOM 0 HA ASN A 13 5.986 -0.712 -9.743 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.907 -1.921 -7.749 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.503 -1.942 -7.026 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.961 1.305 -5.692 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.597 -0.329 -5.475 1.00 0.00 H new ATOM 217 N LEU A 14 8.745 -1.525 -10.116 1.00 0.00 N ATOM 218 CA LEU A 14 10.130 -1.147 -10.377 1.00 0.00 C ATOM 219 C LEU A 14 10.098 0.315 -10.841 1.00 0.00 C ATOM 220 O LEU A 14 9.176 0.690 -11.572 1.00 0.00 O ATOM 221 CB LEU A 14 10.653 -2.106 -11.466 1.00 0.00 C ATOM 222 CG LEU A 14 12.155 -2.438 -11.468 1.00 0.00 C ATOM 223 CD1 LEU A 14 12.391 -3.502 -12.547 1.00 0.00 C ATOM 224 CD2 LEU A 14 13.058 -1.228 -11.725 1.00 0.00 C ATOM 0 H LEU A 14 8.401 -2.234 -10.763 1.00 0.00 H new ATOM 0 HA LEU A 14 10.788 -1.222 -9.511 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.103 -3.043 -11.379 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.403 -1.678 -12.437 1.00 0.00 H new ATOM 0 HG LEU A 14 12.421 -2.795 -10.473 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.449 -3.762 -12.576 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.805 -4.391 -12.315 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.087 -3.110 -13.517 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.101 -1.543 -11.711 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.822 -0.798 -12.698 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.894 -0.480 -10.949 1.00 0.00 H new ATOM 236 N ASN A 15 11.050 1.159 -10.425 1.00 0.00 N ATOM 237 CA ASN A 15 11.103 2.535 -10.918 1.00 0.00 C ATOM 238 C ASN A 15 11.475 2.504 -12.398 1.00 0.00 C ATOM 239 O ASN A 15 12.607 2.184 -12.756 1.00 0.00 O ATOM 240 CB ASN A 15 12.071 3.408 -10.106 1.00 0.00 C ATOM 241 CG ASN A 15 11.960 4.884 -10.505 1.00 0.00 C ATOM 242 OD1 ASN A 15 11.565 5.232 -11.613 1.00 0.00 O ATOM 243 ND2 ASN A 15 12.286 5.791 -9.601 1.00 0.00 N ATOM 0 H ASN A 15 11.783 0.916 -9.758 1.00 0.00 H new ATOM 0 HA ASN A 15 10.122 2.995 -10.796 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.857 3.300 -9.043 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.093 3.063 -10.262 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.209 6.783 -9.824 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.614 5.499 -8.681 1.00 0.00 H new ATOM 250 N GLU A 16 10.517 2.828 -13.259 1.00 0.00 N ATOM 251 CA GLU A 16 10.634 2.709 -14.700 1.00 0.00 C ATOM 252 C GLU A 16 11.712 3.615 -15.308 1.00 0.00 C ATOM 253 O GLU A 16 12.118 3.377 -16.447 1.00 0.00 O ATOM 254 CB GLU A 16 9.264 2.931 -15.368 1.00 0.00 C ATOM 255 CG GLU A 16 8.582 4.275 -15.046 1.00 0.00 C ATOM 256 CD GLU A 16 7.613 4.189 -13.851 1.00 0.00 C ATOM 257 OE1 GLU A 16 8.074 4.041 -12.695 1.00 0.00 O ATOM 258 OE2 GLU A 16 6.383 4.294 -14.054 1.00 0.00 O ATOM 0 H GLU A 16 9.612 3.191 -12.960 1.00 0.00 H new ATOM 0 HA GLU A 16 10.967 1.691 -14.903 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.389 2.856 -16.448 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.597 2.123 -15.067 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.347 5.022 -14.833 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.036 4.619 -15.925 1.00 0.00 H new ATOM 265 N LYS A 17 12.217 4.632 -14.594 1.00 0.00 N ATOM 266 CA LYS A 17 13.318 5.444 -15.114 1.00 0.00 C ATOM 267 C LYS A 17 14.574 4.603 -15.348 1.00 0.00 C ATOM 268 O LYS A 17 15.353 4.922 -16.247 1.00 0.00 O ATOM 269 CB LYS A 17 13.567 6.683 -14.231 1.00 0.00 C ATOM 270 CG LYS A 17 14.252 6.441 -12.872 1.00 0.00 C ATOM 271 CD LYS A 17 15.782 6.594 -12.911 1.00 0.00 C ATOM 272 CE LYS A 17 16.402 6.465 -11.509 1.00 0.00 C ATOM 273 NZ LYS A 17 16.204 7.678 -10.672 1.00 0.00 N ATOM 0 H LYS A 17 11.884 4.906 -13.670 1.00 0.00 H new ATOM 0 HA LYS A 17 13.027 5.824 -16.093 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.176 7.387 -14.798 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.608 7.167 -14.047 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.845 7.140 -12.141 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.005 5.438 -12.525 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.207 5.835 -13.568 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.040 7.564 -13.335 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.964 5.605 -11.002 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.470 6.268 -11.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.642 7.532 -9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 16.645 8.497 -11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.186 7.854 -10.552 1.00 0.00 H new ATOM 287 N ILE A 18 14.761 3.531 -14.571 1.00 0.00 N ATOM 288 CA ILE A 18 15.912 2.641 -14.646 1.00 0.00 C ATOM 289 C ILE A 18 15.979 2.042 -16.056 1.00 0.00 C ATOM 290 O ILE A 18 15.041 1.378 -16.506 1.00 0.00 O ATOM 291 CB ILE A 18 15.799 1.585 -13.516 1.00 0.00 C ATOM 292 CG1 ILE A 18 15.814 2.222 -12.104 1.00 0.00 C ATOM 293 CG2 ILE A 18 16.890 0.510 -13.584 1.00 0.00 C ATOM 294 CD1 ILE A 18 17.087 3.002 -11.743 1.00 0.00 C ATOM 0 H ILE A 18 14.092 3.255 -13.852 1.00 0.00 H new ATOM 0 HA ILE A 18 16.852 3.170 -14.486 1.00 0.00 H new ATOM 0 HB ILE A 18 14.833 1.109 -13.684 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.961 2.895 -12.019 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.672 1.432 -11.367 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.755 -0.198 -12.766 1.00 0.00 H new ATOM 0 HG22 ILE A 18 16.822 -0.017 -14.536 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.870 0.980 -13.499 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.993 3.406 -10.735 1.00 0.00 H new ATOM 0 HD12 ILE A 18 17.948 2.335 -11.788 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.225 3.820 -12.450 1.00 0.00 H new ATOM 306 N LYS A 19 17.084 2.303 -16.761 1.00 0.00 N ATOM 307 CA LYS A 19 17.402 1.706 -18.058 1.00 0.00 C ATOM 308 C LYS A 19 17.560 0.192 -17.882 1.00 0.00 C ATOM 309 O LYS A 19 17.938 -0.266 -16.808 1.00 0.00 O ATOM 310 CB LYS A 19 18.695 2.380 -18.561 1.00 0.00 C ATOM 311 CG LYS A 19 19.156 2.015 -19.981 1.00 0.00 C ATOM 312 CD LYS A 19 20.505 2.692 -20.280 1.00 0.00 C ATOM 313 CE LYS A 19 21.034 2.299 -21.668 1.00 0.00 C ATOM 314 NZ LYS A 19 22.440 2.730 -21.866 1.00 0.00 N ATOM 0 H LYS A 19 17.800 2.953 -16.435 1.00 0.00 H new ATOM 0 HA LYS A 19 16.613 1.862 -18.794 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.556 3.460 -18.516 1.00 0.00 H new ATOM 0 HB3 LYS A 19 19.499 2.133 -17.868 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.252 0.933 -20.075 1.00 0.00 H new ATOM 0 HG3 LYS A 19 18.410 2.333 -20.709 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.390 3.775 -20.226 1.00 0.00 H new ATOM 0 HD3 LYS A 19 21.232 2.410 -19.519 1.00 0.00 H new ATOM 0 HE2 LYS A 19 20.965 1.218 -21.790 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.405 2.748 -22.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.663 2.730 -22.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 22.566 3.689 -21.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 23.077 2.074 -21.371 1.00 0.00 H new ATOM 328 N LYS A 20 17.374 -0.591 -18.946 1.00 0.00 N ATOM 329 CA LYS A 20 17.580 -2.047 -18.948 1.00 0.00 C ATOM 330 C LYS A 20 18.971 -2.415 -18.431 1.00 0.00 C ATOM 331 O LYS A 20 19.124 -3.333 -17.630 1.00 0.00 O ATOM 332 CB LYS A 20 17.347 -2.545 -20.385 1.00 0.00 C ATOM 333 CG LYS A 20 17.314 -4.071 -20.568 1.00 0.00 C ATOM 334 CD LYS A 20 18.697 -4.736 -20.712 1.00 0.00 C ATOM 335 CE LYS A 20 18.697 -5.911 -21.710 1.00 0.00 C ATOM 336 NZ LYS A 20 17.803 -7.032 -21.319 1.00 0.00 N ATOM 0 H LYS A 20 17.070 -0.228 -19.849 1.00 0.00 H new ATOM 0 HA LYS A 20 16.876 -2.532 -18.271 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.403 -2.135 -20.743 1.00 0.00 H new ATOM 0 HB3 LYS A 20 18.133 -2.139 -21.022 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.801 -4.514 -19.714 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.721 -4.304 -21.452 1.00 0.00 H new ATOM 0 HD2 LYS A 20 19.421 -3.989 -21.038 1.00 0.00 H new ATOM 0 HD3 LYS A 20 19.025 -5.095 -19.736 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.394 -5.543 -22.690 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.714 -6.289 -21.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.803 -7.753 -22.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.143 -7.454 -20.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.836 -6.674 -21.183 1.00 0.00 H new ATOM 350 N GLU A 21 19.986 -1.682 -18.881 1.00 0.00 N ATOM 351 CA GLU A 21 21.371 -1.865 -18.468 1.00 0.00 C ATOM 352 C GLU A 21 21.531 -1.583 -16.969 1.00 0.00 C ATOM 353 O GLU A 21 22.169 -2.358 -16.256 1.00 0.00 O ATOM 354 CB GLU A 21 22.209 -0.928 -19.347 1.00 0.00 C ATOM 355 CG GLU A 21 23.686 -0.819 -18.946 1.00 0.00 C ATOM 356 CD GLU A 21 24.489 0.009 -19.966 1.00 0.00 C ATOM 357 OE1 GLU A 21 24.092 1.157 -20.274 1.00 0.00 O ATOM 358 OE2 GLU A 21 25.530 -0.479 -20.463 1.00 0.00 O ATOM 0 H GLU A 21 19.864 -0.928 -19.558 1.00 0.00 H new ATOM 0 HA GLU A 21 21.706 -2.893 -18.603 1.00 0.00 H new ATOM 0 HB2 GLU A 21 22.152 -1.274 -20.379 1.00 0.00 H new ATOM 0 HB3 GLU A 21 21.765 0.067 -19.319 1.00 0.00 H new ATOM 0 HG2 GLU A 21 23.763 -0.359 -17.961 1.00 0.00 H new ATOM 0 HG3 GLU A 21 24.117 -1.817 -18.866 1.00 0.00 H new ATOM 365 N GLU A 22 20.914 -0.507 -16.474 1.00 0.00 N ATOM 366 CA GLU A 22 20.966 -0.149 -15.061 1.00 0.00 C ATOM 367 C GLU A 22 20.240 -1.200 -14.219 1.00 0.00 C ATOM 368 O GLU A 22 20.713 -1.551 -13.141 1.00 0.00 O ATOM 369 CB GLU A 22 20.345 1.235 -14.829 1.00 0.00 C ATOM 370 CG GLU A 22 21.154 2.383 -15.445 1.00 0.00 C ATOM 371 CD GLU A 22 20.438 3.737 -15.261 1.00 0.00 C ATOM 372 OE1 GLU A 22 19.231 3.840 -15.576 1.00 0.00 O ATOM 373 OE2 GLU A 22 21.093 4.708 -14.813 1.00 0.00 O ATOM 0 H GLU A 22 20.366 0.138 -17.044 1.00 0.00 H new ATOM 0 HA GLU A 22 22.012 -0.114 -14.756 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.338 1.247 -15.246 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.248 1.405 -13.757 1.00 0.00 H new ATOM 0 HG2 GLU A 22 22.140 2.425 -14.982 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.308 2.193 -16.507 1.00 0.00 H new ATOM 380 N LEU A 23 19.122 -1.739 -14.713 1.00 0.00 N ATOM 381 CA LEU A 23 18.377 -2.832 -14.098 1.00 0.00 C ATOM 382 C LEU A 23 19.292 -4.048 -13.955 1.00 0.00 C ATOM 383 O LEU A 23 19.395 -4.587 -12.851 1.00 0.00 O ATOM 384 CB LEU A 23 17.084 -3.076 -14.919 1.00 0.00 C ATOM 385 CG LEU A 23 16.295 -4.387 -14.752 1.00 0.00 C ATOM 386 CD1 LEU A 23 16.961 -5.614 -15.380 1.00 0.00 C ATOM 387 CD2 LEU A 23 15.961 -4.640 -13.285 1.00 0.00 C ATOM 0 H LEU A 23 18.699 -1.413 -15.582 1.00 0.00 H new ATOM 0 HA LEU A 23 18.052 -2.592 -13.086 1.00 0.00 H new ATOM 0 HB2 LEU A 23 16.400 -2.257 -14.696 1.00 0.00 H new ATOM 0 HB3 LEU A 23 17.350 -2.991 -15.973 1.00 0.00 H new ATOM 0 HG LEU A 23 15.372 -4.241 -15.313 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.336 -6.492 -15.214 1.00 0.00 H new ATOM 0 HD12 LEU A 23 17.084 -5.453 -16.451 1.00 0.00 H new ATOM 0 HD13 LEU A 23 17.938 -5.772 -14.922 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.403 -5.572 -13.194 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.884 -4.711 -12.709 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.357 -3.817 -12.902 1.00 0.00 H new ATOM 399 N LYS A 24 20.003 -4.453 -15.020 1.00 0.00 N ATOM 400 CA LYS A 24 20.925 -5.589 -14.935 1.00 0.00 C ATOM 401 C LYS A 24 21.984 -5.327 -13.873 1.00 0.00 C ATOM 402 O LYS A 24 22.198 -6.184 -13.013 1.00 0.00 O ATOM 403 CB LYS A 24 21.606 -5.891 -16.280 1.00 0.00 C ATOM 404 CG LYS A 24 20.667 -6.540 -17.308 1.00 0.00 C ATOM 405 CD LYS A 24 21.436 -7.172 -18.483 1.00 0.00 C ATOM 406 CE LYS A 24 22.318 -6.167 -19.247 1.00 0.00 C ATOM 407 NZ LYS A 24 23.117 -6.821 -20.314 1.00 0.00 N ATOM 0 H LYS A 24 19.956 -4.014 -15.939 1.00 0.00 H new ATOM 0 HA LYS A 24 20.333 -6.462 -14.661 1.00 0.00 H new ATOM 0 HB2 LYS A 24 22.001 -4.964 -16.695 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.456 -6.551 -16.108 1.00 0.00 H new ATOM 0 HG2 LYS A 24 20.066 -7.305 -16.816 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.976 -5.789 -17.691 1.00 0.00 H new ATOM 0 HD2 LYS A 24 22.062 -7.980 -18.105 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.723 -7.619 -19.176 1.00 0.00 H new ATOM 0 HE2 LYS A 24 21.688 -5.395 -19.689 1.00 0.00 H new ATOM 0 HE3 LYS A 24 22.989 -5.669 -18.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 23.695 -6.107 -20.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 23.738 -7.540 -19.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 22.478 -7.275 -20.998 1.00 0.00 H new ATOM 421 N LYS A 25 22.628 -4.155 -13.908 1.00 0.00 N ATOM 422 CA LYS A 25 23.668 -3.835 -12.936 1.00 0.00 C ATOM 423 C LYS A 25 23.108 -3.853 -11.522 1.00 0.00 C ATOM 424 O LYS A 25 23.746 -4.426 -10.649 1.00 0.00 O ATOM 425 CB LYS A 25 24.326 -2.480 -13.232 1.00 0.00 C ATOM 426 CG LYS A 25 25.266 -2.553 -14.447 1.00 0.00 C ATOM 427 CD LYS A 25 26.137 -1.298 -14.595 1.00 0.00 C ATOM 428 CE LYS A 25 27.171 -1.189 -13.460 1.00 0.00 C ATOM 429 NZ LYS A 25 28.069 -0.020 -13.628 1.00 0.00 N ATOM 0 H LYS A 25 22.447 -3.422 -14.593 1.00 0.00 H new ATOM 0 HA LYS A 25 24.437 -4.603 -13.019 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.553 -1.733 -13.415 1.00 0.00 H new ATOM 0 HB3 LYS A 25 24.887 -2.150 -12.358 1.00 0.00 H new ATOM 0 HG2 LYS A 25 25.909 -3.428 -14.352 1.00 0.00 H new ATOM 0 HG3 LYS A 25 24.674 -2.689 -15.352 1.00 0.00 H new ATOM 0 HD2 LYS A 25 26.652 -1.323 -15.556 1.00 0.00 H new ATOM 0 HD3 LYS A 25 25.502 -0.412 -14.596 1.00 0.00 H new ATOM 0 HE2 LYS A 25 26.652 -1.112 -12.505 1.00 0.00 H new ATOM 0 HE3 LYS A 25 27.767 -2.101 -13.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 28.748 0.012 -12.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 28.585 -0.105 -14.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 27.504 0.853 -13.634 1.00 0.00 H new ATOM 443 N SER A 26 21.938 -3.266 -11.282 1.00 0.00 N ATOM 444 CA SER A 26 21.367 -3.155 -9.946 1.00 0.00 C ATOM 445 C SER A 26 21.040 -4.538 -9.381 1.00 0.00 C ATOM 446 O SER A 26 21.422 -4.868 -8.254 1.00 0.00 O ATOM 447 CB SER A 26 20.127 -2.255 -9.996 1.00 0.00 C ATOM 448 OG SER A 26 20.448 -0.994 -10.555 1.00 0.00 O ATOM 0 H SER A 26 21.359 -2.853 -12.013 1.00 0.00 H new ATOM 0 HA SER A 26 22.096 -2.700 -9.276 1.00 0.00 H new ATOM 0 HB2 SER A 26 19.347 -2.734 -10.589 1.00 0.00 H new ATOM 0 HB3 SER A 26 19.727 -2.122 -8.991 1.00 0.00 H new ATOM 0 HG SER A 26 20.461 -1.063 -11.532 1.00 0.00 H new ATOM 454 N LEU A 27 20.396 -5.381 -10.189 1.00 0.00 N ATOM 455 CA LEU A 27 20.091 -6.756 -9.814 1.00 0.00 C ATOM 456 C LEU A 27 21.382 -7.481 -9.446 1.00 0.00 C ATOM 457 O LEU A 27 21.483 -8.021 -8.345 1.00 0.00 O ATOM 458 CB LEU A 27 19.370 -7.475 -10.967 1.00 0.00 C ATOM 459 CG LEU A 27 17.849 -7.251 -11.019 1.00 0.00 C ATOM 460 CD1 LEU A 27 17.292 -7.881 -12.292 1.00 0.00 C ATOM 461 CD2 LEU A 27 17.123 -7.893 -9.840 1.00 0.00 C ATOM 0 H LEU A 27 20.072 -5.126 -11.122 1.00 0.00 H new ATOM 0 HA LEU A 27 19.428 -6.757 -8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 27 19.804 -7.144 -11.910 1.00 0.00 H new ATOM 0 HB3 LEU A 27 19.563 -8.545 -10.886 1.00 0.00 H new ATOM 0 HG LEU A 27 17.686 -6.174 -10.988 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.214 -7.725 -12.334 1.00 0.00 H new ATOM 0 HD12 LEU A 27 17.759 -7.419 -13.161 1.00 0.00 H new ATOM 0 HD13 LEU A 27 17.504 -8.950 -12.292 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.053 -7.705 -9.926 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.304 -8.968 -9.843 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.493 -7.465 -8.908 1.00 0.00 H new ATOM 473 N TYR A 28 22.391 -7.452 -10.318 1.00 0.00 N ATOM 474 CA TYR A 28 23.631 -8.163 -10.042 1.00 0.00 C ATOM 475 C TYR A 28 24.402 -7.546 -8.863 1.00 0.00 C ATOM 476 O TYR A 28 25.133 -8.253 -8.169 1.00 0.00 O ATOM 477 CB TYR A 28 24.487 -8.262 -11.310 1.00 0.00 C ATOM 478 CG TYR A 28 25.307 -9.536 -11.337 1.00 0.00 C ATOM 479 CD1 TYR A 28 24.703 -10.734 -11.765 1.00 0.00 C ATOM 480 CD2 TYR A 28 26.640 -9.544 -10.882 1.00 0.00 C ATOM 481 CE1 TYR A 28 25.424 -11.940 -11.739 1.00 0.00 C ATOM 482 CE2 TYR A 28 27.368 -10.747 -10.850 1.00 0.00 C ATOM 483 CZ TYR A 28 26.759 -11.951 -11.275 1.00 0.00 C ATOM 484 OH TYR A 28 27.433 -13.133 -11.223 1.00 0.00 O ATOM 0 H TYR A 28 22.372 -6.951 -11.206 1.00 0.00 H new ATOM 0 HA TYR A 28 23.375 -9.177 -9.735 1.00 0.00 H new ATOM 0 HB2 TYR A 28 23.842 -8.226 -12.188 1.00 0.00 H new ATOM 0 HB3 TYR A 28 25.152 -7.400 -11.368 1.00 0.00 H new ATOM 0 HD1 TYR A 28 23.681 -10.726 -12.115 1.00 0.00 H new ATOM 0 HD2 TYR A 28 27.104 -8.625 -10.557 1.00 0.00 H new ATOM 0 HE1 TYR A 28 24.959 -12.856 -12.073 1.00 0.00 H new ATOM 0 HE2 TYR A 28 28.390 -10.752 -10.502 1.00 0.00 H new ATOM 0 HH TYR A 28 28.339 -12.978 -10.884 1.00 0.00 H new ATOM 494 N ALA A 29 24.240 -6.241 -8.612 1.00 0.00 N ATOM 495 CA ALA A 29 24.882 -5.548 -7.508 1.00 0.00 C ATOM 496 C ALA A 29 24.316 -6.017 -6.165 1.00 0.00 C ATOM 497 O ALA A 29 25.104 -6.200 -5.235 1.00 0.00 O ATOM 498 CB ALA A 29 24.720 -4.029 -7.641 1.00 0.00 C ATOM 0 H ALA A 29 23.650 -5.636 -9.183 1.00 0.00 H new ATOM 0 HA ALA A 29 25.945 -5.788 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 29 25.210 -3.536 -6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.175 -3.695 -8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 29 23.660 -3.775 -7.643 1.00 0.00 H new ATOM 504 N ILE A 30 22.990 -6.211 -6.046 1.00 0.00 N ATOM 505 CA ILE A 30 22.375 -6.449 -4.731 1.00 0.00 C ATOM 506 C ILE A 30 21.505 -7.703 -4.606 1.00 0.00 C ATOM 507 O ILE A 30 21.598 -8.361 -3.569 1.00 0.00 O ATOM 508 CB ILE A 30 21.646 -5.196 -4.197 1.00 0.00 C ATOM 509 CG1 ILE A 30 20.748 -4.476 -5.225 1.00 0.00 C ATOM 510 CG2 ILE A 30 22.678 -4.210 -3.613 1.00 0.00 C ATOM 511 CD1 ILE A 30 19.806 -3.441 -4.599 1.00 0.00 C ATOM 0 H ILE A 30 22.336 -6.208 -6.829 1.00 0.00 H new ATOM 0 HA ILE A 30 23.230 -6.661 -4.089 1.00 0.00 H new ATOM 0 HB ILE A 30 20.965 -5.555 -3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 30 21.379 -3.981 -5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 30 20.155 -5.218 -5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 30 22.164 -3.326 -3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 30 23.219 -4.690 -2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 30 23.382 -3.916 -4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.206 -2.975 -5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 30 19.149 -3.934 -3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 30 20.392 -2.677 -4.088 1.00 0.00 H new ATOM 523 N PHE A 31 20.710 -8.086 -5.605 1.00 0.00 N ATOM 524 CA PHE A 31 19.939 -9.337 -5.540 1.00 0.00 C ATOM 525 C PHE A 31 20.875 -10.549 -5.460 1.00 0.00 C ATOM 526 O PHE A 31 20.610 -11.461 -4.673 1.00 0.00 O ATOM 527 CB PHE A 31 18.966 -9.496 -6.723 1.00 0.00 C ATOM 528 CG PHE A 31 17.583 -8.903 -6.529 1.00 0.00 C ATOM 529 CD1 PHE A 31 17.415 -7.516 -6.351 1.00 0.00 C ATOM 530 CD2 PHE A 31 16.448 -9.734 -6.595 1.00 0.00 C ATOM 531 CE1 PHE A 31 16.124 -6.968 -6.264 1.00 0.00 C ATOM 532 CE2 PHE A 31 15.158 -9.188 -6.486 1.00 0.00 C ATOM 533 CZ PHE A 31 14.995 -7.802 -6.329 1.00 0.00 C ATOM 0 H PHE A 31 20.580 -7.555 -6.466 1.00 0.00 H new ATOM 0 HA PHE A 31 19.338 -9.285 -4.632 1.00 0.00 H new ATOM 0 HB2 PHE A 31 19.417 -9.037 -7.603 1.00 0.00 H new ATOM 0 HB3 PHE A 31 18.857 -10.559 -6.938 1.00 0.00 H new ATOM 0 HD1 PHE A 31 18.280 -6.873 -6.281 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.570 -10.799 -6.730 1.00 0.00 H new ATOM 0 HE1 PHE A 31 15.999 -5.902 -6.147 1.00 0.00 H new ATOM 0 HE2 PHE A 31 14.293 -9.833 -6.523 1.00 0.00 H new ATOM 0 HZ PHE A 31 14.004 -7.378 -6.258 1.00 0.00 H new ATOM 543 N SER A 32 21.996 -10.545 -6.195 1.00 0.00 N ATOM 544 CA SER A 32 22.972 -11.639 -6.162 1.00 0.00 C ATOM 545 C SER A 32 23.560 -11.908 -4.768 1.00 0.00 C ATOM 546 O SER A 32 24.083 -12.998 -4.538 1.00 0.00 O ATOM 547 CB SER A 32 24.080 -11.397 -7.188 1.00 0.00 C ATOM 548 OG SER A 32 23.528 -11.416 -8.492 1.00 0.00 O ATOM 0 H SER A 32 22.249 -9.785 -6.827 1.00 0.00 H new ATOM 0 HA SER A 32 22.424 -12.543 -6.427 1.00 0.00 H new ATOM 0 HB2 SER A 32 24.562 -10.438 -6.999 1.00 0.00 H new ATOM 0 HB3 SER A 32 24.849 -12.164 -7.096 1.00 0.00 H new ATOM 0 HG SER A 32 24.208 -11.135 -9.139 1.00 0.00 H new ATOM 554 N GLN A 33 23.452 -10.963 -3.823 1.00 0.00 N ATOM 555 CA GLN A 33 23.873 -11.176 -2.437 1.00 0.00 C ATOM 556 C GLN A 33 22.993 -12.220 -1.738 1.00 0.00 C ATOM 557 O GLN A 33 23.455 -12.885 -0.810 1.00 0.00 O ATOM 558 CB GLN A 33 23.771 -9.874 -1.629 1.00 0.00 C ATOM 559 CG GLN A 33 24.591 -8.700 -2.182 1.00 0.00 C ATOM 560 CD GLN A 33 24.311 -7.423 -1.386 1.00 0.00 C ATOM 561 OE1 GLN A 33 25.203 -6.838 -0.775 1.00 0.00 O ATOM 562 NE2 GLN A 33 23.064 -6.978 -1.359 1.00 0.00 N ATOM 0 H GLN A 33 23.071 -10.034 -4.000 1.00 0.00 H new ATOM 0 HA GLN A 33 24.905 -11.524 -2.476 1.00 0.00 H new ATOM 0 HB2 GLN A 33 22.724 -9.575 -1.581 1.00 0.00 H new ATOM 0 HB3 GLN A 33 24.093 -10.073 -0.607 1.00 0.00 H new ATOM 0 HG2 GLN A 33 25.654 -8.938 -2.135 1.00 0.00 H new ATOM 0 HG3 GLN A 33 24.346 -8.541 -3.232 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.334 -7.474 -1.871 1.00 0.00 H new ATOM 0 HE22 GLN A 33 22.833 -6.139 -0.826 1.00 0.00 H new ATOM 571 N PHE A 34 21.732 -12.357 -2.166 1.00 0.00 N ATOM 572 CA PHE A 34 20.713 -13.141 -1.476 1.00 0.00 C ATOM 573 C PHE A 34 20.250 -14.330 -2.305 1.00 0.00 C ATOM 574 O PHE A 34 19.800 -15.326 -1.741 1.00 0.00 O ATOM 575 CB PHE A 34 19.533 -12.226 -1.110 1.00 0.00 C ATOM 576 CG PHE A 34 19.927 -10.935 -0.410 1.00 0.00 C ATOM 577 CD1 PHE A 34 20.538 -10.978 0.859 1.00 0.00 C ATOM 578 CD2 PHE A 34 19.710 -9.692 -1.037 1.00 0.00 C ATOM 579 CE1 PHE A 34 20.924 -9.785 1.497 1.00 0.00 C ATOM 580 CE2 PHE A 34 20.089 -8.501 -0.394 1.00 0.00 C ATOM 581 CZ PHE A 34 20.697 -8.545 0.873 1.00 0.00 C ATOM 0 H PHE A 34 21.390 -11.915 -3.019 1.00 0.00 H new ATOM 0 HA PHE A 34 21.149 -13.551 -0.565 1.00 0.00 H new ATOM 0 HB2 PHE A 34 18.986 -11.978 -2.020 1.00 0.00 H new ATOM 0 HB3 PHE A 34 18.848 -12.778 -0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 34 20.710 -11.928 1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 34 19.251 -9.654 -2.014 1.00 0.00 H new ATOM 0 HE1 PHE A 34 21.396 -9.821 2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 34 19.913 -7.550 -0.874 1.00 0.00 H new ATOM 0 HZ PHE A 34 20.989 -7.629 1.366 1.00 0.00 H new ATOM 591 N GLY A 35 20.413 -14.267 -3.622 1.00 0.00 N ATOM 592 CA GLY A 35 20.223 -15.392 -4.505 1.00 0.00 C ATOM 593 C GLY A 35 21.071 -15.106 -5.721 1.00 0.00 C ATOM 594 O GLY A 35 20.783 -14.158 -6.446 1.00 0.00 O ATOM 0 H GLY A 35 20.686 -13.412 -4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.528 -16.322 -4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.173 -15.503 -4.777 1.00 0.00 H new ATOM 598 N GLN A 36 22.147 -15.869 -5.911 1.00 0.00 N ATOM 599 CA GLN A 36 22.995 -15.732 -7.089 1.00 0.00 C ATOM 600 C GLN A 36 22.153 -15.912 -8.359 1.00 0.00 C ATOM 601 O GLN A 36 21.558 -16.968 -8.600 1.00 0.00 O ATOM 602 CB GLN A 36 24.187 -16.699 -7.022 1.00 0.00 C ATOM 603 CG GLN A 36 25.082 -16.642 -8.273 1.00 0.00 C ATOM 604 CD GLN A 36 25.607 -15.240 -8.609 1.00 0.00 C ATOM 605 OE1 GLN A 36 26.365 -14.645 -7.849 1.00 0.00 O ATOM 606 NE2 GLN A 36 25.215 -14.681 -9.744 1.00 0.00 N ATOM 0 H GLN A 36 22.451 -16.592 -5.259 1.00 0.00 H new ATOM 0 HA GLN A 36 23.418 -14.728 -7.118 1.00 0.00 H new ATOM 0 HB2 GLN A 36 24.787 -16.466 -6.142 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.816 -17.716 -6.894 1.00 0.00 H new ATOM 0 HG2 GLN A 36 25.931 -17.310 -8.129 1.00 0.00 H new ATOM 0 HG3 GLN A 36 24.519 -17.021 -9.126 1.00 0.00 H new ATOM 0 HE21 GLN A 36 24.585 -15.184 -10.369 1.00 0.00 H new ATOM 0 HE22 GLN A 36 25.543 -13.748 -9.993 1.00 0.00 H new ATOM 615 N ILE A 37 22.118 -14.853 -9.161 1.00 0.00 N ATOM 616 CA ILE A 37 21.420 -14.768 -10.431 1.00 0.00 C ATOM 617 C ILE A 37 22.069 -15.719 -11.448 1.00 0.00 C ATOM 618 O ILE A 37 23.261 -16.026 -11.355 1.00 0.00 O ATOM 619 CB ILE A 37 21.440 -13.280 -10.863 1.00 0.00 C ATOM 620 CG1 ILE A 37 20.592 -12.461 -9.858 1.00 0.00 C ATOM 621 CG2 ILE A 37 20.957 -13.077 -12.309 1.00 0.00 C ATOM 622 CD1 ILE A 37 20.549 -10.961 -10.141 1.00 0.00 C ATOM 0 H ILE A 37 22.603 -13.987 -8.926 1.00 0.00 H new ATOM 0 HA ILE A 37 20.381 -15.089 -10.356 1.00 0.00 H new ATOM 0 HB ILE A 37 22.471 -12.927 -10.848 1.00 0.00 H new ATOM 0 HG12 ILE A 37 19.573 -12.848 -9.862 1.00 0.00 H new ATOM 0 HG13 ILE A 37 20.989 -12.618 -8.855 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.992 -12.017 -12.559 1.00 0.00 H new ATOM 0 HG22 ILE A 37 21.603 -13.631 -12.990 1.00 0.00 H new ATOM 0 HG23 ILE A 37 19.933 -13.439 -12.405 1.00 0.00 H new ATOM 0 HD11 ILE A 37 19.934 -10.466 -9.389 1.00 0.00 H new ATOM 0 HD12 ILE A 37 21.560 -10.555 -10.107 1.00 0.00 H new ATOM 0 HD13 ILE A 37 20.122 -10.789 -11.129 1.00 0.00 H new ATOM 634 N LEU A 38 21.281 -16.131 -12.445 1.00 0.00 N ATOM 635 CA LEU A 38 21.687 -16.901 -13.608 1.00 0.00 C ATOM 636 C LEU A 38 21.320 -16.153 -14.898 1.00 0.00 C ATOM 637 O LEU A 38 22.124 -16.162 -15.829 1.00 0.00 O ATOM 638 CB LEU A 38 20.999 -18.275 -13.548 1.00 0.00 C ATOM 639 CG LEU A 38 21.291 -19.201 -14.745 1.00 0.00 C ATOM 640 CD1 LEU A 38 22.785 -19.515 -14.892 1.00 0.00 C ATOM 641 CD2 LEU A 38 20.517 -20.509 -14.556 1.00 0.00 C ATOM 0 H LEU A 38 20.283 -15.919 -12.455 1.00 0.00 H new ATOM 0 HA LEU A 38 22.768 -17.039 -13.608 1.00 0.00 H new ATOM 0 HB2 LEU A 38 21.308 -18.780 -12.633 1.00 0.00 H new ATOM 0 HB3 LEU A 38 19.922 -18.123 -13.480 1.00 0.00 H new ATOM 0 HG LEU A 38 20.976 -18.685 -15.652 1.00 0.00 H new ATOM 0 HD11 LEU A 38 22.936 -20.171 -15.750 1.00 0.00 H new ATOM 0 HD12 LEU A 38 23.339 -18.588 -15.042 1.00 0.00 H new ATOM 0 HD13 LEU A 38 23.143 -20.010 -13.989 1.00 0.00 H new ATOM 0 HD21 LEU A 38 20.715 -21.174 -15.397 1.00 0.00 H new ATOM 0 HD22 LEU A 38 20.835 -20.990 -13.631 1.00 0.00 H new ATOM 0 HD23 LEU A 38 19.449 -20.296 -14.506 1.00 0.00 H new ATOM 653 N ASP A 39 20.162 -15.477 -14.968 1.00 0.00 N ATOM 654 CA ASP A 39 19.768 -14.669 -16.136 1.00 0.00 C ATOM 655 C ASP A 39 18.748 -13.597 -15.729 1.00 0.00 C ATOM 656 O ASP A 39 18.144 -13.709 -14.668 1.00 0.00 O ATOM 657 CB ASP A 39 19.209 -15.567 -17.256 1.00 0.00 C ATOM 658 CG ASP A 39 18.904 -14.791 -18.549 1.00 0.00 C ATOM 659 OD1 ASP A 39 19.655 -13.850 -18.889 1.00 0.00 O ATOM 660 OD2 ASP A 39 17.924 -15.142 -19.244 1.00 0.00 O ATOM 0 H ASP A 39 19.472 -15.474 -14.217 1.00 0.00 H new ATOM 0 HA ASP A 39 20.654 -14.165 -16.521 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.927 -16.358 -17.473 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.298 -16.052 -16.906 1.00 0.00 H new ATOM 665 N ILE A 40 18.549 -12.553 -16.538 1.00 0.00 N ATOM 666 CA ILE A 40 17.769 -11.358 -16.216 1.00 0.00 C ATOM 667 C ILE A 40 16.958 -10.982 -17.468 1.00 0.00 C ATOM 668 O ILE A 40 17.464 -11.110 -18.587 1.00 0.00 O ATOM 669 CB ILE A 40 18.725 -10.211 -15.783 1.00 0.00 C ATOM 670 CG1 ILE A 40 19.579 -10.594 -14.547 1.00 0.00 C ATOM 671 CG2 ILE A 40 17.922 -8.929 -15.506 1.00 0.00 C ATOM 672 CD1 ILE A 40 20.594 -9.538 -14.079 1.00 0.00 C ATOM 0 H ILE A 40 18.946 -12.517 -17.477 1.00 0.00 H new ATOM 0 HA ILE A 40 17.087 -11.540 -15.386 1.00 0.00 H new ATOM 0 HB ILE A 40 19.416 -10.033 -16.607 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.906 -10.815 -13.719 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.119 -11.514 -14.773 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.602 -8.132 -15.203 1.00 0.00 H new ATOM 0 HG22 ILE A 40 17.391 -8.630 -16.410 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.203 -9.115 -14.708 1.00 0.00 H new ATOM 0 HD11 ILE A 40 21.134 -9.913 -13.210 1.00 0.00 H new ATOM 0 HD12 ILE A 40 21.300 -9.330 -14.883 1.00 0.00 H new ATOM 0 HD13 ILE A 40 20.068 -8.621 -13.812 1.00 0.00 H new ATOM 684 N VAL A 41 15.726 -10.488 -17.292 1.00 0.00 N ATOM 685 CA VAL A 41 14.819 -10.121 -18.378 1.00 0.00 C ATOM 686 C VAL A 41 14.138 -8.787 -18.030 1.00 0.00 C ATOM 687 O VAL A 41 13.326 -8.705 -17.106 1.00 0.00 O ATOM 688 CB VAL A 41 13.792 -11.250 -18.632 1.00 0.00 C ATOM 689 CG1 VAL A 41 12.895 -10.932 -19.840 1.00 0.00 C ATOM 690 CG2 VAL A 41 14.446 -12.621 -18.874 1.00 0.00 C ATOM 0 H VAL A 41 15.326 -10.330 -16.367 1.00 0.00 H new ATOM 0 HA VAL A 41 15.378 -9.991 -19.304 1.00 0.00 H new ATOM 0 HB VAL A 41 13.199 -11.303 -17.719 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.185 -11.746 -19.990 1.00 0.00 H new ATOM 0 HG12 VAL A 41 12.351 -10.006 -19.656 1.00 0.00 H new ATOM 0 HG13 VAL A 41 13.512 -10.819 -20.732 1.00 0.00 H new ATOM 0 HG21 VAL A 41 13.671 -13.368 -19.045 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.096 -12.565 -19.747 1.00 0.00 H new ATOM 0 HG23 VAL A 41 15.035 -12.902 -18.001 1.00 0.00 H new ATOM 700 N ALA A 42 14.480 -7.749 -18.792 1.00 0.00 N ATOM 701 CA ALA A 42 13.865 -6.428 -18.848 1.00 0.00 C ATOM 702 C ALA A 42 14.176 -5.872 -20.245 1.00 0.00 C ATOM 703 O ALA A 42 15.076 -6.389 -20.918 1.00 0.00 O ATOM 704 CB ALA A 42 14.459 -5.529 -17.762 1.00 0.00 C ATOM 0 H ALA A 42 15.263 -7.820 -19.442 1.00 0.00 H new ATOM 0 HA ALA A 42 12.790 -6.475 -18.676 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.994 -4.544 -17.811 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.273 -5.970 -16.783 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.533 -5.431 -17.918 1.00 0.00 H new ATOM 710 N LEU A 43 13.479 -4.824 -20.687 1.00 0.00 N ATOM 711 CA LEU A 43 13.608 -4.236 -22.026 1.00 0.00 C ATOM 712 C LEU A 43 13.403 -2.723 -21.921 1.00 0.00 C ATOM 713 O LEU A 43 13.034 -2.215 -20.863 1.00 0.00 O ATOM 714 CB LEU A 43 12.578 -4.839 -23.010 1.00 0.00 C ATOM 715 CG LEU A 43 12.730 -6.338 -23.334 1.00 0.00 C ATOM 716 CD1 LEU A 43 11.524 -6.807 -24.156 1.00 0.00 C ATOM 717 CD2 LEU A 43 14.013 -6.630 -24.122 1.00 0.00 C ATOM 0 H LEU A 43 12.789 -4.345 -20.108 1.00 0.00 H new ATOM 0 HA LEU A 43 14.603 -4.458 -22.412 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.581 -4.678 -22.600 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.632 -4.281 -23.945 1.00 0.00 H new ATOM 0 HG LEU A 43 12.785 -6.875 -22.387 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.630 -7.867 -24.386 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.610 -6.650 -23.583 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.473 -6.238 -25.084 1.00 0.00 H new ATOM 0 HD21 LEU A 43 14.078 -7.698 -24.328 1.00 0.00 H new ATOM 0 HD22 LEU A 43 13.996 -6.079 -25.063 1.00 0.00 H new ATOM 0 HD23 LEU A 43 14.878 -6.320 -23.536 1.00 0.00 H new ATOM 847 N GLY A 50 9.020 -0.927 -15.780 1.00 0.00 N ATOM 848 CA GLY A 50 8.298 -0.958 -14.509 1.00 0.00 C ATOM 849 C GLY A 50 8.120 -2.378 -13.966 1.00 0.00 C ATOM 850 O GLY A 50 7.648 -2.556 -12.840 1.00 0.00 O ATOM 0 HA2 GLY A 50 8.836 -0.358 -13.775 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.319 -0.498 -14.641 1.00 0.00 H new ATOM 854 N GLN A 51 8.496 -3.391 -14.752 1.00 0.00 N ATOM 855 CA GLN A 51 8.349 -4.809 -14.459 1.00 0.00 C ATOM 856 C GLN A 51 9.610 -5.505 -14.975 1.00 0.00 C ATOM 857 O GLN A 51 10.235 -4.997 -15.909 1.00 0.00 O ATOM 858 CB GLN A 51 7.108 -5.385 -15.173 1.00 0.00 C ATOM 859 CG GLN A 51 5.849 -4.503 -15.095 1.00 0.00 C ATOM 860 CD GLN A 51 4.618 -5.212 -15.657 1.00 0.00 C ATOM 861 OE1 GLN A 51 3.695 -5.558 -14.925 1.00 0.00 O ATOM 862 NE2 GLN A 51 4.571 -5.449 -16.957 1.00 0.00 N ATOM 0 H GLN A 51 8.935 -3.229 -15.658 1.00 0.00 H new ATOM 0 HA GLN A 51 8.220 -4.965 -13.388 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.354 -5.550 -16.222 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.879 -6.360 -14.742 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.665 -4.225 -14.057 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.019 -3.579 -15.647 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.343 -5.158 -17.557 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.763 -5.923 -17.360 1.00 0.00 H new ATOM 871 N ALA A 52 9.972 -6.659 -14.414 1.00 0.00 N ATOM 872 CA ALA A 52 11.130 -7.449 -14.833 1.00 0.00 C ATOM 873 C ALA A 52 10.948 -8.901 -14.382 1.00 0.00 C ATOM 874 O ALA A 52 10.052 -9.199 -13.588 1.00 0.00 O ATOM 875 CB ALA A 52 12.413 -6.861 -14.221 1.00 0.00 C ATOM 0 H ALA A 52 9.458 -7.079 -13.640 1.00 0.00 H new ATOM 0 HA ALA A 52 11.215 -7.420 -15.919 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.272 -7.454 -14.537 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.539 -5.832 -14.558 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.339 -6.880 -13.134 1.00 0.00 H new ATOM 881 N PHE A 53 11.830 -9.791 -14.834 1.00 0.00 N ATOM 882 CA PHE A 53 11.953 -11.161 -14.351 1.00 0.00 C ATOM 883 C PHE A 53 13.444 -11.440 -14.180 1.00 0.00 C ATOM 884 O PHE A 53 14.280 -10.812 -14.837 1.00 0.00 O ATOM 885 CB PHE A 53 11.342 -12.187 -15.323 1.00 0.00 C ATOM 886 CG PHE A 53 9.918 -11.935 -15.783 1.00 0.00 C ATOM 887 CD1 PHE A 53 9.674 -11.100 -16.892 1.00 0.00 C ATOM 888 CD2 PHE A 53 8.841 -12.578 -15.145 1.00 0.00 C ATOM 889 CE1 PHE A 53 8.359 -10.889 -17.343 1.00 0.00 C ATOM 890 CE2 PHE A 53 7.526 -12.374 -15.605 1.00 0.00 C ATOM 891 CZ PHE A 53 7.284 -11.522 -16.696 1.00 0.00 C ATOM 0 H PHE A 53 12.500 -9.569 -15.571 1.00 0.00 H new ATOM 0 HA PHE A 53 11.407 -11.261 -13.413 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.979 -12.239 -16.206 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.376 -13.167 -14.847 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.500 -10.621 -17.397 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.023 -13.228 -14.302 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.175 -10.240 -18.187 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.701 -12.873 -15.118 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.273 -11.354 -17.037 1.00 0.00 H new ATOM 901 N VAL A 54 13.795 -12.396 -13.325 1.00 0.00 N ATOM 902 CA VAL A 54 15.180 -12.793 -13.108 1.00 0.00 C ATOM 903 C VAL A 54 15.173 -14.253 -12.662 1.00 0.00 C ATOM 904 O VAL A 54 14.293 -14.686 -11.913 1.00 0.00 O ATOM 905 CB VAL A 54 15.904 -11.787 -12.174 1.00 0.00 C ATOM 906 CG1 VAL A 54 15.094 -11.336 -10.951 1.00 0.00 C ATOM 907 CG2 VAL A 54 17.265 -12.280 -11.674 1.00 0.00 C ATOM 0 H VAL A 54 13.124 -12.918 -12.762 1.00 0.00 H new ATOM 0 HA VAL A 54 15.777 -12.749 -14.019 1.00 0.00 H new ATOM 0 HB VAL A 54 16.038 -10.930 -12.835 1.00 0.00 H new ATOM 0 HG11 VAL A 54 15.685 -10.635 -10.362 1.00 0.00 H new ATOM 0 HG12 VAL A 54 14.177 -10.849 -11.282 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.844 -12.203 -10.340 1.00 0.00 H new ATOM 0 HG21 VAL A 54 17.711 -11.524 -11.027 1.00 0.00 H new ATOM 0 HG22 VAL A 54 17.133 -13.205 -11.113 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.921 -12.462 -12.525 1.00 0.00 H new ATOM 917 N ILE A 55 16.124 -15.003 -13.210 1.00 0.00 N ATOM 918 CA ILE A 55 16.294 -16.440 -13.134 1.00 0.00 C ATOM 919 C ILE A 55 17.556 -16.621 -12.289 1.00 0.00 C ATOM 920 O ILE A 55 18.522 -15.873 -12.468 1.00 0.00 O ATOM 921 CB ILE A 55 16.487 -17.036 -14.558 1.00 0.00 C ATOM 922 CG1 ILE A 55 15.373 -16.778 -15.613 1.00 0.00 C ATOM 923 CG2 ILE A 55 16.683 -18.561 -14.463 1.00 0.00 C ATOM 924 CD1 ILE A 55 15.210 -15.338 -16.119 1.00 0.00 C ATOM 0 H ILE A 55 16.861 -14.574 -13.770 1.00 0.00 H new ATOM 0 HA ILE A 55 15.431 -16.948 -12.703 1.00 0.00 H new ATOM 0 HB ILE A 55 17.360 -16.496 -14.924 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.566 -17.419 -16.473 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.422 -17.096 -15.186 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.818 -18.974 -15.463 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.564 -18.778 -13.859 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.806 -19.012 -13.999 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.401 -15.298 -16.848 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.976 -14.682 -15.281 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.138 -15.010 -16.588 1.00 0.00 H new ATOM 936 N PHE A 56 17.583 -17.623 -11.411 1.00 0.00 N ATOM 937 CA PHE A 56 18.662 -17.848 -10.454 1.00 0.00 C ATOM 938 C PHE A 56 19.218 -19.262 -10.610 1.00 0.00 C ATOM 939 O PHE A 56 18.688 -20.076 -11.372 1.00 0.00 O ATOM 940 CB PHE A 56 18.155 -17.600 -9.027 1.00 0.00 C ATOM 941 CG PHE A 56 17.574 -16.215 -8.782 1.00 0.00 C ATOM 942 CD1 PHE A 56 16.259 -15.896 -9.172 1.00 0.00 C ATOM 943 CD2 PHE A 56 18.361 -15.229 -8.165 1.00 0.00 C ATOM 944 CE1 PHE A 56 15.756 -14.602 -8.956 1.00 0.00 C ATOM 945 CE2 PHE A 56 17.852 -13.942 -7.929 1.00 0.00 C ATOM 946 CZ PHE A 56 16.547 -13.626 -8.330 1.00 0.00 C ATOM 0 H PHE A 56 16.837 -18.316 -11.345 1.00 0.00 H new ATOM 0 HA PHE A 56 19.473 -17.147 -10.652 1.00 0.00 H new ATOM 0 HB2 PHE A 56 17.393 -18.344 -8.794 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.979 -17.760 -8.332 1.00 0.00 H new ATOM 0 HD1 PHE A 56 15.637 -16.646 -9.637 1.00 0.00 H new ATOM 0 HD2 PHE A 56 19.372 -15.464 -7.868 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.753 -14.357 -9.274 1.00 0.00 H new ATOM 0 HE2 PHE A 56 18.464 -13.198 -7.440 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.152 -12.636 -8.158 1.00 0.00 H new ATOM 956 N LYS A 57 20.312 -19.563 -9.908 1.00 0.00 N ATOM 957 CA LYS A 57 20.980 -20.860 -10.043 1.00 0.00 C ATOM 958 C LYS A 57 20.267 -21.981 -9.290 1.00 0.00 C ATOM 959 O LYS A 57 20.528 -23.148 -9.584 1.00 0.00 O ATOM 960 CB LYS A 57 22.448 -20.754 -9.604 1.00 0.00 C ATOM 961 CG LYS A 57 23.191 -19.794 -10.543 1.00 0.00 C ATOM 962 CD LYS A 57 24.707 -19.799 -10.345 1.00 0.00 C ATOM 963 CE LYS A 57 25.292 -18.769 -11.320 1.00 0.00 C ATOM 964 NZ LYS A 57 26.777 -18.739 -11.298 1.00 0.00 N ATOM 0 H LYS A 57 20.754 -18.929 -9.242 1.00 0.00 H new ATOM 0 HA LYS A 57 20.940 -21.127 -11.099 1.00 0.00 H new ATOM 0 HB2 LYS A 57 22.507 -20.394 -8.577 1.00 0.00 H new ATOM 0 HB3 LYS A 57 22.918 -21.737 -9.625 1.00 0.00 H new ATOM 0 HG2 LYS A 57 22.966 -20.062 -11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 57 22.815 -18.783 -10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 57 24.962 -19.544 -9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 57 25.118 -20.790 -10.539 1.00 0.00 H new ATOM 0 HE2 LYS A 57 24.952 -18.997 -12.330 1.00 0.00 H new ATOM 0 HE3 LYS A 57 24.909 -17.780 -11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 27.120 -18.027 -11.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 27.105 -18.495 -10.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 27.147 -19.674 -11.563 1.00 0.00 H new ATOM 978 N GLU A 58 19.384 -21.670 -8.338 1.00 0.00 N ATOM 979 CA GLU A 58 18.687 -22.672 -7.544 1.00 0.00 C ATOM 980 C GLU A 58 17.356 -22.087 -7.077 1.00 0.00 C ATOM 981 O GLU A 58 17.261 -20.884 -6.820 1.00 0.00 O ATOM 982 CB GLU A 58 19.573 -23.066 -6.346 1.00 0.00 C ATOM 983 CG GLU A 58 19.185 -24.432 -5.772 1.00 0.00 C ATOM 984 CD GLU A 58 20.038 -24.793 -4.542 1.00 0.00 C ATOM 985 OE1 GLU A 58 21.133 -25.378 -4.702 1.00 0.00 O ATOM 986 OE2 GLU A 58 19.608 -24.517 -3.400 1.00 0.00 O ATOM 0 H GLU A 58 19.135 -20.710 -8.099 1.00 0.00 H new ATOM 0 HA GLU A 58 18.487 -23.567 -8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 58 20.617 -23.087 -6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 58 19.488 -22.308 -5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.131 -24.425 -5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 58 19.308 -25.197 -6.538 1.00 0.00 H new ATOM 993 N ILE A 59 16.333 -22.935 -6.936 1.00 0.00 N ATOM 994 CA ILE A 59 14.990 -22.521 -6.532 1.00 0.00 C ATOM 995 C ILE A 59 14.980 -21.913 -5.120 1.00 0.00 C ATOM 996 O ILE A 59 14.226 -20.975 -4.859 1.00 0.00 O ATOM 997 CB ILE A 59 13.993 -23.697 -6.694 1.00 0.00 C ATOM 998 CG1 ILE A 59 14.219 -24.837 -5.669 1.00 0.00 C ATOM 999 CG2 ILE A 59 14.035 -24.241 -8.135 1.00 0.00 C ATOM 1000 CD1 ILE A 59 13.278 -26.038 -5.834 1.00 0.00 C ATOM 0 H ILE A 59 16.417 -23.938 -7.101 1.00 0.00 H new ATOM 0 HA ILE A 59 14.658 -21.723 -7.196 1.00 0.00 H new ATOM 0 HB ILE A 59 13.001 -23.296 -6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 59 15.249 -25.184 -5.752 1.00 0.00 H new ATOM 0 HG13 ILE A 59 14.099 -24.433 -4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 59 13.330 -25.066 -8.233 1.00 0.00 H new ATOM 0 HG22 ILE A 59 13.764 -23.447 -8.832 1.00 0.00 H new ATOM 0 HG23 ILE A 59 15.041 -24.595 -8.361 1.00 0.00 H new ATOM 0 HD11 ILE A 59 13.507 -26.787 -5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.245 -25.709 -5.719 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.412 -26.472 -6.825 1.00 0.00 H new ATOM 1012 N GLY A 60 15.838 -22.388 -4.212 1.00 0.00 N ATOM 1013 CA GLY A 60 15.941 -21.835 -2.866 1.00 0.00 C ATOM 1014 C GLY A 60 16.600 -20.457 -2.890 1.00 0.00 C ATOM 1015 O GLY A 60 16.195 -19.563 -2.147 1.00 0.00 O ATOM 0 H GLY A 60 16.476 -23.163 -4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.948 -21.760 -2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.521 -22.509 -2.235 1.00 0.00 H new ATOM 1019 N SER A 61 17.568 -20.256 -3.787 1.00 0.00 N ATOM 1020 CA SER A 61 18.255 -18.981 -3.953 1.00 0.00 C ATOM 1021 C SER A 61 17.282 -17.951 -4.524 1.00 0.00 C ATOM 1022 O SER A 61 17.197 -16.838 -4.005 1.00 0.00 O ATOM 1023 CB SER A 61 19.474 -19.165 -4.865 1.00 0.00 C ATOM 1024 OG SER A 61 20.348 -20.136 -4.316 1.00 0.00 O ATOM 0 H SER A 61 17.897 -20.983 -4.423 1.00 0.00 H new ATOM 0 HA SER A 61 18.609 -18.619 -2.988 1.00 0.00 H new ATOM 0 HB2 SER A 61 19.151 -19.475 -5.859 1.00 0.00 H new ATOM 0 HB3 SER A 61 19.998 -18.216 -4.981 1.00 0.00 H new ATOM 0 HG SER A 61 21.123 -20.249 -4.905 1.00 0.00 H new ATOM 1030 N ALA A 62 16.495 -18.345 -5.532 1.00 0.00 N ATOM 1031 CA ALA A 62 15.420 -17.527 -6.069 1.00 0.00 C ATOM 1032 C ALA A 62 14.459 -17.126 -4.952 1.00 0.00 C ATOM 1033 O ALA A 62 14.154 -15.947 -4.804 1.00 0.00 O ATOM 1034 CB ALA A 62 14.673 -18.312 -7.147 1.00 0.00 C ATOM 0 H ALA A 62 16.593 -19.248 -5.996 1.00 0.00 H new ATOM 0 HA ALA A 62 15.841 -16.623 -6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.867 -17.699 -7.550 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.363 -18.577 -7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.256 -19.220 -6.712 1.00 0.00 H new ATOM 1040 N SER A 63 14.020 -18.091 -4.137 1.00 0.00 N ATOM 1041 CA SER A 63 13.084 -17.846 -3.046 1.00 0.00 C ATOM 1042 C SER A 63 13.648 -16.859 -2.026 1.00 0.00 C ATOM 1043 O SER A 63 12.933 -15.973 -1.554 1.00 0.00 O ATOM 1044 CB SER A 63 12.733 -19.164 -2.353 1.00 0.00 C ATOM 1045 OG SER A 63 12.261 -20.117 -3.276 1.00 0.00 O ATOM 0 H SER A 63 14.308 -19.066 -4.220 1.00 0.00 H new ATOM 0 HA SER A 63 12.184 -17.405 -3.475 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.613 -19.554 -1.842 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.974 -18.986 -1.591 1.00 0.00 H new ATOM 0 HG SER A 63 13.022 -20.565 -3.702 1.00 0.00 H new ATOM 1051 N ASN A 64 14.930 -16.999 -1.685 1.00 0.00 N ATOM 1052 CA ASN A 64 15.560 -16.145 -0.689 1.00 0.00 C ATOM 1053 C ASN A 64 15.703 -14.719 -1.213 1.00 0.00 C ATOM 1054 O ASN A 64 15.393 -13.775 -0.487 1.00 0.00 O ATOM 1055 CB ASN A 64 16.918 -16.706 -0.259 1.00 0.00 C ATOM 1056 CG ASN A 64 17.455 -15.928 0.939 1.00 0.00 C ATOM 1057 OD1 ASN A 64 16.813 -15.850 1.982 1.00 0.00 O ATOM 1058 ND2 ASN A 64 18.639 -15.351 0.829 1.00 0.00 N ATOM 0 H ASN A 64 15.551 -17.700 -2.089 1.00 0.00 H new ATOM 0 HA ASN A 64 14.915 -16.123 0.190 1.00 0.00 H new ATOM 0 HB2 ASN A 64 16.819 -17.761 -0.002 1.00 0.00 H new ATOM 0 HB3 ASN A 64 17.624 -16.645 -1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 64 19.029 -14.833 1.617 1.00 0.00 H new ATOM 0 HD22 ASN A 64 19.163 -15.423 -0.043 1.00 0.00 H new ATOM 1065 N ALA A 65 16.102 -14.558 -2.479 1.00 0.00 N ATOM 1066 CA ALA A 65 16.128 -13.267 -3.157 1.00 0.00 C ATOM 1067 C ALA A 65 14.736 -12.637 -3.123 1.00 0.00 C ATOM 1068 O ALA A 65 14.587 -11.500 -2.678 1.00 0.00 O ATOM 1069 CB ALA A 65 16.609 -13.437 -4.605 1.00 0.00 C ATOM 0 H ALA A 65 16.418 -15.331 -3.064 1.00 0.00 H new ATOM 0 HA ALA A 65 16.825 -12.606 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.624 -12.466 -5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 65 17.613 -13.861 -4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.932 -14.105 -5.137 1.00 0.00 H new ATOM 1075 N LEU A 66 13.719 -13.399 -3.540 1.00 0.00 N ATOM 1076 CA LEU A 66 12.328 -12.968 -3.615 1.00 0.00 C ATOM 1077 C LEU A 66 11.896 -12.394 -2.269 1.00 0.00 C ATOM 1078 O LEU A 66 11.508 -11.229 -2.183 1.00 0.00 O ATOM 1079 CB LEU A 66 11.457 -14.175 -4.029 1.00 0.00 C ATOM 1080 CG LEU A 66 10.107 -13.861 -4.692 1.00 0.00 C ATOM 1081 CD1 LEU A 66 9.403 -15.180 -5.025 1.00 0.00 C ATOM 1082 CD2 LEU A 66 9.187 -13.005 -3.821 1.00 0.00 C ATOM 0 H LEU A 66 13.851 -14.364 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 66 12.208 -12.183 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.037 -14.793 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.267 -14.777 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 66 10.316 -13.281 -5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.443 -14.971 -5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.023 -15.761 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.241 -15.748 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.252 -12.821 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.979 -13.528 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.673 -12.054 -3.603 1.00 0.00 H new ATOM 1094 N ARG A 67 11.992 -13.192 -1.201 1.00 0.00 N ATOM 1095 CA ARG A 67 11.441 -12.802 0.090 1.00 0.00 C ATOM 1096 C ARG A 67 12.245 -11.657 0.704 1.00 0.00 C ATOM 1097 O ARG A 67 11.646 -10.756 1.289 1.00 0.00 O ATOM 1098 CB ARG A 67 11.392 -14.026 1.021 1.00 0.00 C ATOM 1099 CG ARG A 67 10.330 -13.863 2.120 1.00 0.00 C ATOM 1100 CD ARG A 67 10.378 -15.030 3.115 1.00 0.00 C ATOM 1101 NE ARG A 67 11.387 -14.813 4.166 1.00 0.00 N ATOM 1102 CZ ARG A 67 11.188 -14.168 5.326 1.00 0.00 C ATOM 1103 NH1 ARG A 67 9.993 -13.682 5.656 1.00 0.00 N ATOM 1104 NH2 ARG A 67 12.208 -14.009 6.165 1.00 0.00 N ATOM 0 H ARG A 67 12.444 -14.106 -1.210 1.00 0.00 H new ATOM 0 HA ARG A 67 10.424 -12.436 -0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.176 -14.920 0.436 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.370 -14.174 1.479 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.491 -12.924 2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.340 -13.808 1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.397 -15.157 3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.602 -15.954 2.581 1.00 0.00 H new ATOM 0 HE ARG A 67 12.321 -15.187 3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.203 -13.796 5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.868 -13.196 6.544 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.129 -14.376 5.924 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.069 -13.521 7.050 1.00 0.00 H new ATOM 1118 N THR A 68 13.574 -11.659 0.563 1.00 0.00 N ATOM 1119 CA THR A 68 14.414 -10.602 1.122 1.00 0.00 C ATOM 1120 C THR A 68 14.108 -9.263 0.440 1.00 0.00 C ATOM 1121 O THR A 68 14.033 -8.232 1.111 1.00 0.00 O ATOM 1122 CB THR A 68 15.904 -10.981 0.994 1.00 0.00 C ATOM 1123 OG1 THR A 68 16.132 -12.251 1.574 1.00 0.00 O ATOM 1124 CG2 THR A 68 16.828 -9.983 1.700 1.00 0.00 C ATOM 0 H THR A 68 14.090 -12.384 0.065 1.00 0.00 H new ATOM 0 HA THR A 68 14.191 -10.490 2.183 1.00 0.00 H new ATOM 0 HB THR A 68 16.129 -10.980 -0.072 1.00 0.00 H new ATOM 0 HG1 THR A 68 16.119 -12.937 0.874 1.00 0.00 H new ATOM 0 HG21 THR A 68 17.864 -10.298 1.578 1.00 0.00 H new ATOM 0 HG22 THR A 68 16.696 -8.993 1.263 1.00 0.00 H new ATOM 0 HG23 THR A 68 16.582 -9.947 2.761 1.00 0.00 H new ATOM 1132 N MET A 69 13.905 -9.270 -0.881 1.00 0.00 N ATOM 1133 CA MET A 69 13.766 -8.046 -1.664 1.00 0.00 C ATOM 1134 C MET A 69 12.307 -7.589 -1.776 1.00 0.00 C ATOM 1135 O MET A 69 12.054 -6.485 -2.256 1.00 0.00 O ATOM 1136 CB MET A 69 14.426 -8.237 -3.038 1.00 0.00 C ATOM 1137 CG MET A 69 15.931 -8.551 -2.930 1.00 0.00 C ATOM 1138 SD MET A 69 16.933 -7.345 -2.010 1.00 0.00 S ATOM 1139 CE MET A 69 16.806 -5.896 -3.093 1.00 0.00 C ATOM 0 H MET A 69 13.833 -10.124 -1.433 1.00 0.00 H new ATOM 0 HA MET A 69 14.283 -7.241 -1.142 1.00 0.00 H new ATOM 0 HB2 MET A 69 13.926 -9.047 -3.568 1.00 0.00 H new ATOM 0 HB3 MET A 69 14.288 -7.334 -3.633 1.00 0.00 H new ATOM 0 HG2 MET A 69 16.045 -9.526 -2.456 1.00 0.00 H new ATOM 0 HG3 MET A 69 16.337 -8.637 -3.938 1.00 0.00 H new ATOM 0 HE1 MET A 69 17.233 -5.028 -2.591 1.00 0.00 H new ATOM 0 HE2 MET A 69 17.351 -6.084 -4.018 1.00 0.00 H new ATOM 0 HE3 MET A 69 15.758 -5.704 -3.322 1.00 0.00 H new ATOM 1149 N GLN A 70 11.340 -8.392 -1.321 1.00 0.00 N ATOM 1150 CA GLN A 70 9.938 -8.002 -1.252 1.00 0.00 C ATOM 1151 C GLN A 70 9.805 -6.697 -0.458 1.00 0.00 C ATOM 1152 O GLN A 70 10.285 -6.605 0.674 1.00 0.00 O ATOM 1153 CB GLN A 70 9.118 -9.144 -0.615 1.00 0.00 C ATOM 1154 CG GLN A 70 7.601 -8.895 -0.569 1.00 0.00 C ATOM 1155 CD GLN A 70 6.967 -8.958 -1.958 1.00 0.00 C ATOM 1156 OE1 GLN A 70 7.186 -8.088 -2.794 1.00 0.00 O ATOM 1157 NE2 GLN A 70 6.197 -9.992 -2.245 1.00 0.00 N ATOM 0 H GLN A 70 11.516 -9.340 -0.988 1.00 0.00 H new ATOM 0 HA GLN A 70 9.547 -7.824 -2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.305 -10.062 -1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.477 -9.308 0.401 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.132 -9.636 0.077 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.407 -7.918 -0.126 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.023 -10.709 -1.541 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.777 -10.074 -3.171 1.00 0.00 H new ATOM 1166 N GLY A 71 9.159 -5.689 -1.050 1.00 0.00 N ATOM 1167 CA GLY A 71 8.942 -4.386 -0.430 1.00 0.00 C ATOM 1168 C GLY A 71 10.215 -3.543 -0.291 1.00 0.00 C ATOM 1169 O GLY A 71 10.136 -2.438 0.248 1.00 0.00 O ATOM 0 H GLY A 71 8.767 -5.760 -1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.213 -3.831 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.506 -4.533 0.558 1.00 0.00 H new ATOM 1173 N PHE A 72 11.381 -4.027 -0.735 1.00 0.00 N ATOM 1174 CA PHE A 72 12.642 -3.317 -0.544 1.00 0.00 C ATOM 1175 C PHE A 72 12.676 -2.077 -1.449 1.00 0.00 C ATOM 1176 O PHE A 72 12.281 -2.184 -2.614 1.00 0.00 O ATOM 1177 CB PHE A 72 13.816 -4.258 -0.853 1.00 0.00 C ATOM 1178 CG PHE A 72 15.176 -3.660 -0.555 1.00 0.00 C ATOM 1179 CD1 PHE A 72 15.714 -3.734 0.745 1.00 0.00 C ATOM 1180 CD2 PHE A 72 15.901 -3.009 -1.572 1.00 0.00 C ATOM 1181 CE1 PHE A 72 16.964 -3.154 1.024 1.00 0.00 C ATOM 1182 CE2 PHE A 72 17.150 -2.429 -1.292 1.00 0.00 C ATOM 1183 CZ PHE A 72 17.683 -2.501 0.007 1.00 0.00 C ATOM 0 H PHE A 72 11.473 -4.913 -1.231 1.00 0.00 H new ATOM 0 HA PHE A 72 12.729 -2.989 0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 72 13.697 -5.174 -0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 72 13.776 -4.539 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.166 -4.237 1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.495 -2.955 -2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 72 17.373 -3.210 2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 72 17.700 -1.928 -2.075 1.00 0.00 H new ATOM 0 HZ PHE A 72 18.643 -2.056 0.223 1.00 0.00 H new ATOM 1193 N PRO A 73 13.157 -0.913 -0.980 1.00 0.00 N ATOM 1194 CA PRO A 73 13.373 0.263 -1.814 1.00 0.00 C ATOM 1195 C PRO A 73 14.622 0.064 -2.689 1.00 0.00 C ATOM 1196 O PRO A 73 15.712 0.554 -2.384 1.00 0.00 O ATOM 1197 CB PRO A 73 13.470 1.437 -0.838 1.00 0.00 C ATOM 1198 CG PRO A 73 14.081 0.801 0.411 1.00 0.00 C ATOM 1199 CD PRO A 73 13.502 -0.614 0.406 1.00 0.00 C ATOM 0 HA PRO A 73 12.567 0.450 -2.524 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.098 2.237 -1.231 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.492 1.871 -0.632 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.170 0.790 0.365 1.00 0.00 H new ATOM 0 HG3 PRO A 73 13.806 1.345 1.315 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.227 -1.332 0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.623 -0.676 1.047 1.00 0.00 H new ATOM 1207 N PHE A 74 14.464 -0.701 -3.773 1.00 0.00 N ATOM 1208 CA PHE A 74 15.503 -0.950 -4.777 1.00 0.00 C ATOM 1209 C PHE A 74 15.988 0.382 -5.358 1.00 0.00 C ATOM 1210 O PHE A 74 17.188 0.582 -5.556 1.00 0.00 O ATOM 1211 CB PHE A 74 14.891 -1.877 -5.835 1.00 0.00 C ATOM 1212 CG PHE A 74 15.769 -2.371 -6.970 1.00 0.00 C ATOM 1213 CD1 PHE A 74 16.815 -3.275 -6.707 1.00 0.00 C ATOM 1214 CD2 PHE A 74 15.435 -2.067 -8.305 1.00 0.00 C ATOM 1215 CE1 PHE A 74 17.524 -3.869 -7.766 1.00 0.00 C ATOM 1216 CE2 PHE A 74 16.141 -2.662 -9.365 1.00 0.00 C ATOM 1217 CZ PHE A 74 17.176 -3.575 -9.096 1.00 0.00 C ATOM 0 H PHE A 74 13.586 -1.177 -3.982 1.00 0.00 H new ATOM 0 HA PHE A 74 16.382 -1.433 -4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.496 -2.752 -5.319 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.041 -1.357 -6.277 1.00 0.00 H new ATOM 0 HD1 PHE A 74 17.075 -3.514 -5.686 1.00 0.00 H new ATOM 0 HD2 PHE A 74 14.633 -1.374 -8.514 1.00 0.00 H new ATOM 0 HE1 PHE A 74 18.335 -4.551 -7.558 1.00 0.00 H new ATOM 0 HE2 PHE A 74 15.888 -2.418 -10.386 1.00 0.00 H new ATOM 0 HZ PHE A 74 17.703 -4.050 -9.910 1.00 0.00 H new ATOM 1227 N TYR A 75 15.039 1.302 -5.544 1.00 0.00 N ATOM 1228 CA TYR A 75 15.203 2.709 -5.869 1.00 0.00 C ATOM 1229 C TYR A 75 14.066 3.429 -5.132 1.00 0.00 C ATOM 1230 O TYR A 75 13.539 2.897 -4.153 1.00 0.00 O ATOM 1231 CB TYR A 75 15.224 2.905 -7.400 1.00 0.00 C ATOM 1232 CG TYR A 75 16.562 2.536 -8.013 1.00 0.00 C ATOM 1233 CD1 TYR A 75 17.651 3.422 -7.883 1.00 0.00 C ATOM 1234 CD2 TYR A 75 16.741 1.299 -8.662 1.00 0.00 C ATOM 1235 CE1 TYR A 75 18.915 3.069 -8.384 1.00 0.00 C ATOM 1236 CE2 TYR A 75 18.005 0.934 -9.158 1.00 0.00 C ATOM 1237 CZ TYR A 75 19.101 1.819 -9.017 1.00 0.00 C ATOM 1238 OH TYR A 75 20.336 1.485 -9.478 1.00 0.00 O ATOM 0 H TYR A 75 14.053 1.054 -5.463 1.00 0.00 H new ATOM 0 HA TYR A 75 16.154 3.130 -5.543 1.00 0.00 H new ATOM 0 HB2 TYR A 75 14.440 2.297 -7.852 1.00 0.00 H new ATOM 0 HB3 TYR A 75 14.995 3.945 -7.633 1.00 0.00 H new ATOM 0 HD1 TYR A 75 17.513 4.376 -7.396 1.00 0.00 H new ATOM 0 HD2 TYR A 75 15.903 0.627 -8.779 1.00 0.00 H new ATOM 0 HE1 TYR A 75 19.745 3.753 -8.285 1.00 0.00 H new ATOM 0 HE2 TYR A 75 18.140 -0.020 -9.646 1.00 0.00 H new ATOM 0 HH TYR A 75 20.281 0.648 -9.984 1.00 0.00 H new ATOM 1248 N ASP A 76 13.669 4.623 -5.577 1.00 0.00 N ATOM 1249 CA ASP A 76 12.626 5.457 -4.962 1.00 0.00 C ATOM 1250 C ASP A 76 11.205 4.848 -5.027 1.00 0.00 C ATOM 1251 O ASP A 76 10.213 5.558 -4.861 1.00 0.00 O ATOM 1252 CB ASP A 76 12.682 6.857 -5.600 1.00 0.00 C ATOM 1253 CG ASP A 76 11.848 7.906 -4.839 1.00 0.00 C ATOM 1254 OD1 ASP A 76 12.014 8.046 -3.605 1.00 0.00 O ATOM 1255 OD2 ASP A 76 11.076 8.654 -5.481 1.00 0.00 O ATOM 0 H ASP A 76 14.078 5.054 -6.406 1.00 0.00 H new ATOM 0 HA ASP A 76 12.837 5.520 -3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.720 7.188 -5.642 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.325 6.795 -6.628 1.00 0.00 H new ATOM 1260 N LYS A 77 11.076 3.535 -5.269 1.00 0.00 N ATOM 1261 CA LYS A 77 9.823 2.792 -5.191 1.00 0.00 C ATOM 1262 C LYS A 77 10.102 1.456 -4.496 1.00 0.00 C ATOM 1263 O LYS A 77 11.122 0.831 -4.807 1.00 0.00 O ATOM 1264 CB LYS A 77 9.232 2.540 -6.590 1.00 0.00 C ATOM 1265 CG LYS A 77 8.718 3.815 -7.273 1.00 0.00 C ATOM 1266 CD LYS A 77 7.927 3.486 -8.546 1.00 0.00 C ATOM 1267 CE LYS A 77 7.400 4.783 -9.175 1.00 0.00 C ATOM 1268 NZ LYS A 77 6.618 4.543 -10.412 1.00 0.00 N ATOM 0 H LYS A 77 11.869 2.949 -5.532 1.00 0.00 H new ATOM 0 HA LYS A 77 9.095 3.376 -4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.993 2.080 -7.221 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.413 1.826 -6.507 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.084 4.370 -6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.560 4.461 -7.522 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.564 2.959 -9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.096 2.822 -8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.775 5.305 -8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.240 5.439 -9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.003 5.361 -10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.268 4.410 -11.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.035 3.690 -10.294 1.00 0.00 H new ATOM 1282 N PRO A 78 9.231 0.998 -3.578 1.00 0.00 N ATOM 1283 CA PRO A 78 9.350 -0.323 -2.983 1.00 0.00 C ATOM 1284 C PRO A 78 9.010 -1.378 -4.037 1.00 0.00 C ATOM 1285 O PRO A 78 7.993 -1.272 -4.728 1.00 0.00 O ATOM 1286 CB PRO A 78 8.365 -0.337 -1.810 1.00 0.00 C ATOM 1287 CG PRO A 78 7.285 0.659 -2.232 1.00 0.00 C ATOM 1288 CD PRO A 78 8.055 1.687 -3.062 1.00 0.00 C ATOM 0 HA PRO A 78 10.357 -0.546 -2.629 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.951 -1.332 -1.647 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.846 -0.036 -0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.501 0.178 -2.816 1.00 0.00 H new ATOM 0 HG3 PRO A 78 6.803 1.119 -1.369 1.00 0.00 H new ATOM 0 HD2 PRO A 78 7.439 2.069 -3.877 1.00 0.00 H new ATOM 0 HD3 PRO A 78 8.343 2.543 -2.451 1.00 0.00 H new ATOM 1296 N MET A 79 9.850 -2.403 -4.153 1.00 0.00 N ATOM 1297 CA MET A 79 9.629 -3.518 -5.064 1.00 0.00 C ATOM 1298 C MET A 79 8.373 -4.281 -4.664 1.00 0.00 C ATOM 1299 O MET A 79 8.029 -4.357 -3.482 1.00 0.00 O ATOM 1300 CB MET A 79 10.827 -4.475 -5.006 1.00 0.00 C ATOM 1301 CG MET A 79 12.109 -3.828 -5.523 1.00 0.00 C ATOM 1302 SD MET A 79 12.181 -3.593 -7.322 1.00 0.00 S ATOM 1303 CE MET A 79 13.405 -4.867 -7.726 1.00 0.00 C ATOM 0 H MET A 79 10.711 -2.482 -3.611 1.00 0.00 H new ATOM 0 HA MET A 79 9.511 -3.126 -6.074 1.00 0.00 H new ATOM 0 HB2 MET A 79 10.977 -4.804 -3.978 1.00 0.00 H new ATOM 0 HB3 MET A 79 10.608 -5.365 -5.596 1.00 0.00 H new ATOM 0 HG2 MET A 79 12.228 -2.858 -5.040 1.00 0.00 H new ATOM 0 HG3 MET A 79 12.956 -4.442 -5.218 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.767 -4.715 -8.743 1.00 0.00 H new ATOM 0 HE2 MET A 79 14.241 -4.802 -7.030 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.944 -5.852 -7.648 1.00 0.00 H new ATOM 1313 N GLN A 80 7.728 -4.916 -5.635 1.00 0.00 N ATOM 1314 CA GLN A 80 6.649 -5.870 -5.431 1.00 0.00 C ATOM 1315 C GLN A 80 7.086 -7.085 -6.238 1.00 0.00 C ATOM 1316 O GLN A 80 7.481 -6.938 -7.394 1.00 0.00 O ATOM 1317 CB GLN A 80 5.310 -5.281 -5.909 1.00 0.00 C ATOM 1318 CG GLN A 80 4.835 -4.070 -5.085 1.00 0.00 C ATOM 1319 CD GLN A 80 4.390 -4.447 -3.670 1.00 0.00 C ATOM 1320 OE1 GLN A 80 3.217 -4.717 -3.424 1.00 0.00 O ATOM 1321 NE2 GLN A 80 5.297 -4.475 -2.706 1.00 0.00 N ATOM 0 H GLN A 80 7.951 -4.775 -6.620 1.00 0.00 H new ATOM 0 HA GLN A 80 6.480 -6.127 -4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.407 -4.983 -6.953 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.547 -6.058 -5.869 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.642 -3.340 -5.024 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.007 -3.587 -5.604 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.270 -4.250 -2.914 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.023 -4.721 -1.755 1.00 0.00 H new ATOM 1330 N ILE A 81 7.092 -8.268 -5.630 1.00 0.00 N ATOM 1331 CA ILE A 81 7.701 -9.458 -6.212 1.00 0.00 C ATOM 1332 C ILE A 81 6.769 -10.653 -5.976 1.00 0.00 C ATOM 1333 O ILE A 81 6.054 -10.700 -4.971 1.00 0.00 O ATOM 1334 CB ILE A 81 9.116 -9.679 -5.605 1.00 0.00 C ATOM 1335 CG1 ILE A 81 9.936 -8.374 -5.428 1.00 0.00 C ATOM 1336 CG2 ILE A 81 9.918 -10.682 -6.452 1.00 0.00 C ATOM 1337 CD1 ILE A 81 11.401 -8.555 -5.018 1.00 0.00 C ATOM 0 H ILE A 81 6.672 -8.428 -4.714 1.00 0.00 H new ATOM 0 HA ILE A 81 7.833 -9.338 -7.287 1.00 0.00 H new ATOM 0 HB ILE A 81 8.946 -10.080 -4.606 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.907 -7.820 -6.366 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.442 -7.757 -4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.905 -10.823 -6.011 1.00 0.00 H new ATOM 0 HG22 ILE A 81 9.393 -11.637 -6.479 1.00 0.00 H new ATOM 0 HG23 ILE A 81 10.025 -10.298 -7.466 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.876 -7.578 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.450 -9.076 -4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.921 -9.140 -5.776 1.00 0.00 H new ATOM 1349 N ALA A 82 6.787 -11.621 -6.891 1.00 0.00 N ATOM 1350 CA ALA A 82 6.096 -12.904 -6.805 1.00 0.00 C ATOM 1351 C ALA A 82 6.879 -13.932 -7.632 1.00 0.00 C ATOM 1352 O ALA A 82 7.883 -13.593 -8.266 1.00 0.00 O ATOM 1353 CB ALA A 82 4.665 -12.749 -7.343 1.00 0.00 C ATOM 0 H ALA A 82 7.313 -11.525 -7.759 1.00 0.00 H new ATOM 0 HA ALA A 82 6.039 -13.242 -5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.147 -13.706 -7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.131 -12.007 -6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.700 -12.424 -8.383 1.00 0.00 H new ATOM 1359 N TYR A 83 6.445 -15.194 -7.619 1.00 0.00 N ATOM 1360 CA TYR A 83 6.968 -16.206 -8.535 1.00 0.00 C ATOM 1361 C TYR A 83 6.543 -15.855 -9.974 1.00 0.00 C ATOM 1362 O TYR A 83 5.642 -15.039 -10.187 1.00 0.00 O ATOM 1363 CB TYR A 83 6.511 -17.609 -8.104 1.00 0.00 C ATOM 1364 CG TYR A 83 5.011 -17.841 -8.135 1.00 0.00 C ATOM 1365 CD1 TYR A 83 4.212 -17.485 -7.029 1.00 0.00 C ATOM 1366 CD2 TYR A 83 4.414 -18.426 -9.270 1.00 0.00 C ATOM 1367 CE1 TYR A 83 2.821 -17.693 -7.063 1.00 0.00 C ATOM 1368 CE2 TYR A 83 3.027 -18.651 -9.302 1.00 0.00 C ATOM 1369 CZ TYR A 83 2.222 -18.277 -8.202 1.00 0.00 C ATOM 1370 OH TYR A 83 0.872 -18.465 -8.264 1.00 0.00 O ATOM 0 H TYR A 83 5.729 -15.539 -6.980 1.00 0.00 H new ATOM 0 HA TYR A 83 8.058 -16.215 -8.504 1.00 0.00 H new ATOM 0 HB2 TYR A 83 6.989 -18.344 -8.752 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.870 -17.795 -7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.670 -17.051 -6.152 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.024 -18.702 -10.117 1.00 0.00 H new ATOM 0 HE1 TYR A 83 2.211 -17.406 -6.219 1.00 0.00 H new ATOM 0 HE2 TYR A 83 2.575 -19.111 -10.169 1.00 0.00 H new ATOM 0 HH TYR A 83 0.638 -18.878 -9.122 1.00 0.00 H new