USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=12 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 180:sc= 0.144 USER MOD Set 1.2: A 36 GLN : amide:sc= 1.13 K(o=1.3,f=-0.014) USER MOD Set 2.1: A 26 SER OG : rot 68:sc= 1.2 USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 0.241 USER MOD Set 3.2: A 12 ASN : amide:sc= 1.45 K(o=2.4,f=1.5) USER MOD Set 3.3: A 51 GLN : amide:sc= 0.697 X(o=2.4,f=2.4) USER MOD Single : A 6 ASN : amide:sc= 0.224 X(o=0.22,f=0.029) USER MOD Single : A 7 GLN : amide:sc= 0.978 K(o=0.98,f=-0.039) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.863 K(o=0.86,f=-0.47) USER MOD Single : A 15 ASN : amide:sc= 0.0459 K(o=0.046,f=-7.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 1.15 K(o=1.2,f=-4.3!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 160:sc= 0.0217 USER MOD Single : A 63 SER OG : rot 81:sc= 1.21 USER MOD Single : A 64 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 68 THR OG1 : rot 76:sc= 1.25 USER MOD Single : A 69 MET CE :methyl 173:sc= -1.81 (180deg=-1.93) USER MOD Single : A 70 GLN : amide:sc= -0.998! K(o=-1!,f=-1.8) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -163:sc= -0.187 (180deg=-1.35) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 5 8.601 -21.683 -4.227 1.00 0.00 N ATOM 72 CA PRO A 5 9.826 -21.867 -4.995 1.00 0.00 C ATOM 73 C PRO A 5 9.545 -22.041 -6.489 1.00 0.00 C ATOM 74 O PRO A 5 8.682 -22.825 -6.893 1.00 0.00 O ATOM 75 CB PRO A 5 10.516 -23.101 -4.406 1.00 0.00 C ATOM 76 CG PRO A 5 9.975 -23.170 -2.983 1.00 0.00 C ATOM 77 CD PRO A 5 8.551 -22.635 -3.128 1.00 0.00 C ATOM 0 HA PRO A 5 10.463 -20.986 -4.923 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.276 -24.002 -4.970 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.601 -22.997 -4.418 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.985 -24.189 -2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.566 -22.563 -2.297 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.849 -23.441 -3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.217 -22.155 -2.208 1.00 0.00 H new ATOM 85 N ASN A 6 10.325 -21.336 -7.305 1.00 0.00 N ATOM 86 CA ASN A 6 10.417 -21.462 -8.755 1.00 0.00 C ATOM 87 C ASN A 6 11.770 -20.866 -9.129 1.00 0.00 C ATOM 88 O ASN A 6 12.229 -19.968 -8.427 1.00 0.00 O ATOM 89 CB ASN A 6 9.306 -20.650 -9.436 1.00 0.00 C ATOM 90 CG ASN A 6 9.401 -20.764 -10.953 1.00 0.00 C ATOM 91 OD1 ASN A 6 9.345 -21.856 -11.506 1.00 0.00 O ATOM 92 ND2 ASN A 6 9.603 -19.660 -11.653 1.00 0.00 N ATOM 0 H ASN A 6 10.950 -20.614 -6.946 1.00 0.00 H new ATOM 0 HA ASN A 6 10.313 -22.500 -9.070 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.332 -21.006 -9.101 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.382 -19.604 -9.140 1.00 0.00 H new ATOM 0 HD21 ASN A 6 9.714 -19.711 -12.666 1.00 0.00 H new ATOM 0 HD22 ASN A 6 9.647 -18.757 -11.180 1.00 0.00 H new ATOM 99 N GLN A 7 12.423 -21.311 -10.206 1.00 0.00 N ATOM 100 CA GLN A 7 13.777 -20.836 -10.513 1.00 0.00 C ATOM 101 C GLN A 7 13.799 -19.379 -11.016 1.00 0.00 C ATOM 102 O GLN A 7 14.877 -18.808 -11.182 1.00 0.00 O ATOM 103 CB GLN A 7 14.476 -21.791 -11.500 1.00 0.00 C ATOM 104 CG GLN A 7 15.981 -21.869 -11.191 1.00 0.00 C ATOM 105 CD GLN A 7 16.800 -22.548 -12.290 1.00 0.00 C ATOM 106 OE1 GLN A 7 16.377 -23.522 -12.911 1.00 0.00 O ATOM 107 NE2 GLN A 7 17.995 -22.048 -12.554 1.00 0.00 N ATOM 0 H GLN A 7 12.046 -21.987 -10.870 1.00 0.00 H new ATOM 0 HA GLN A 7 14.338 -20.838 -9.579 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.032 -22.784 -11.432 1.00 0.00 H new ATOM 0 HB3 GLN A 7 14.325 -21.443 -12.522 1.00 0.00 H new ATOM 0 HG2 GLN A 7 16.364 -20.860 -11.036 1.00 0.00 H new ATOM 0 HG3 GLN A 7 16.123 -22.411 -10.256 1.00 0.00 H new ATOM 0 HE21 GLN A 7 18.336 -21.240 -12.033 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.576 -22.470 -13.279 1.00 0.00 H new ATOM 116 N THR A 8 12.634 -18.766 -11.237 1.00 0.00 N ATOM 117 CA THR A 8 12.498 -17.427 -11.787 1.00 0.00 C ATOM 118 C THR A 8 11.492 -16.661 -10.929 1.00 0.00 C ATOM 119 O THR A 8 10.492 -17.233 -10.470 1.00 0.00 O ATOM 120 CB THR A 8 12.050 -17.510 -13.261 1.00 0.00 C ATOM 121 OG1 THR A 8 12.729 -18.558 -13.936 1.00 0.00 O ATOM 122 CG2 THR A 8 12.308 -16.203 -14.015 1.00 0.00 C ATOM 0 H THR A 8 11.737 -19.205 -11.030 1.00 0.00 H new ATOM 0 HA THR A 8 13.451 -16.899 -11.770 1.00 0.00 H new ATOM 0 HB THR A 8 10.977 -17.704 -13.246 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.429 -18.595 -14.868 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.977 -16.308 -15.048 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.757 -15.393 -13.538 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.374 -15.977 -13.997 1.00 0.00 H new ATOM 130 N ILE A 9 11.756 -15.371 -10.729 1.00 0.00 N ATOM 131 CA ILE A 9 10.921 -14.471 -9.951 1.00 0.00 C ATOM 132 C ILE A 9 10.544 -13.285 -10.845 1.00 0.00 C ATOM 133 O ILE A 9 11.232 -12.976 -11.823 1.00 0.00 O ATOM 134 CB ILE A 9 11.598 -14.099 -8.604 1.00 0.00 C ATOM 135 CG1 ILE A 9 12.776 -13.123 -8.783 1.00 0.00 C ATOM 136 CG2 ILE A 9 12.056 -15.376 -7.873 1.00 0.00 C ATOM 137 CD1 ILE A 9 13.494 -12.736 -7.482 1.00 0.00 C ATOM 0 H ILE A 9 12.582 -14.915 -11.117 1.00 0.00 H new ATOM 0 HA ILE A 9 9.991 -14.951 -9.645 1.00 0.00 H new ATOM 0 HB ILE A 9 10.854 -13.582 -7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.501 -13.571 -9.462 1.00 0.00 H new ATOM 0 HG13 ILE A 9 12.408 -12.216 -9.263 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.530 -15.105 -6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.193 -16.012 -7.676 1.00 0.00 H new ATOM 0 HG23 ILE A 9 12.770 -15.915 -8.496 1.00 0.00 H new ATOM 0 HD11 ILE A 9 14.308 -12.047 -7.707 1.00 0.00 H new ATOM 0 HD12 ILE A 9 12.787 -12.255 -6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.897 -13.631 -7.009 1.00 0.00 H new ATOM 149 N TYR A 10 9.455 -12.619 -10.482 1.00 0.00 N ATOM 150 CA TYR A 10 8.747 -11.609 -11.248 1.00 0.00 C ATOM 151 C TYR A 10 8.693 -10.362 -10.383 1.00 0.00 C ATOM 152 O TYR A 10 8.043 -10.357 -9.336 1.00 0.00 O ATOM 153 CB TYR A 10 7.354 -12.182 -11.554 1.00 0.00 C ATOM 154 CG TYR A 10 6.299 -11.272 -12.161 1.00 0.00 C ATOM 155 CD1 TYR A 10 6.609 -10.367 -13.195 1.00 0.00 C ATOM 156 CD2 TYR A 10 4.959 -11.430 -11.758 1.00 0.00 C ATOM 157 CE1 TYR A 10 5.582 -9.665 -13.851 1.00 0.00 C ATOM 158 CE2 TYR A 10 3.928 -10.723 -12.401 1.00 0.00 C ATOM 159 CZ TYR A 10 4.232 -9.853 -13.472 1.00 0.00 C ATOM 160 OH TYR A 10 3.233 -9.210 -14.141 1.00 0.00 O ATOM 0 H TYR A 10 9.014 -12.785 -9.578 1.00 0.00 H new ATOM 0 HA TYR A 10 9.225 -11.349 -12.193 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.487 -13.027 -12.229 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.950 -12.579 -10.623 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.638 -10.212 -13.485 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.721 -12.101 -10.946 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.825 -8.979 -14.649 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.905 -10.845 -12.077 1.00 0.00 H new ATOM 0 HH TYR A 10 2.368 -9.454 -13.750 1.00 0.00 H new ATOM 170 N ILE A 11 9.431 -9.335 -10.792 1.00 0.00 N ATOM 171 CA ILE A 11 9.616 -8.089 -10.063 1.00 0.00 C ATOM 172 C ILE A 11 8.651 -7.083 -10.683 1.00 0.00 C ATOM 173 O ILE A 11 8.478 -7.052 -11.900 1.00 0.00 O ATOM 174 CB ILE A 11 11.098 -7.652 -10.172 1.00 0.00 C ATOM 175 CG1 ILE A 11 11.999 -8.659 -9.414 1.00 0.00 C ATOM 176 CG2 ILE A 11 11.317 -6.224 -9.635 1.00 0.00 C ATOM 177 CD1 ILE A 11 13.500 -8.479 -9.675 1.00 0.00 C ATOM 0 H ILE A 11 9.937 -9.351 -11.678 1.00 0.00 H new ATOM 0 HA ILE A 11 9.401 -8.182 -8.998 1.00 0.00 H new ATOM 0 HB ILE A 11 11.369 -7.646 -11.228 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.813 -8.562 -8.344 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.711 -9.672 -9.697 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.370 -5.957 -9.730 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.711 -5.523 -10.209 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.025 -6.181 -8.586 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.060 -9.222 -9.107 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.702 -8.607 -10.738 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.806 -7.480 -9.365 1.00 0.00 H new ATOM 189 N ASN A 12 8.035 -6.256 -9.846 1.00 0.00 N ATOM 190 CA ASN A 12 6.984 -5.307 -10.179 1.00 0.00 C ATOM 191 C ASN A 12 7.172 -4.064 -9.308 1.00 0.00 C ATOM 192 O ASN A 12 7.943 -4.084 -8.342 1.00 0.00 O ATOM 193 CB ASN A 12 5.607 -5.953 -9.920 1.00 0.00 C ATOM 194 CG ASN A 12 5.253 -6.985 -10.984 1.00 0.00 C ATOM 195 OD1 ASN A 12 4.727 -6.632 -12.035 1.00 0.00 O ATOM 196 ND2 ASN A 12 5.534 -8.259 -10.753 1.00 0.00 N ATOM 0 H ASN A 12 8.273 -6.230 -8.854 1.00 0.00 H new ATOM 0 HA ASN A 12 7.035 -5.026 -11.231 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.608 -6.429 -8.939 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.841 -5.178 -9.897 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.313 -8.965 -11.455 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.971 -8.533 -9.873 1.00 0.00 H new ATOM 203 N ASN A 13 6.451 -2.984 -9.636 1.00 0.00 N ATOM 204 CA ASN A 13 6.621 -1.646 -9.051 1.00 0.00 C ATOM 205 C ASN A 13 8.071 -1.141 -9.169 1.00 0.00 C ATOM 206 O ASN A 13 8.558 -0.382 -8.330 1.00 0.00 O ATOM 207 CB ASN A 13 6.074 -1.610 -7.613 1.00 0.00 C ATOM 208 CG ASN A 13 5.855 -0.184 -7.114 1.00 0.00 C ATOM 209 OD1 ASN A 13 5.233 0.634 -7.786 1.00 0.00 O ATOM 210 ND2 ASN A 13 6.314 0.143 -5.916 1.00 0.00 N ATOM 0 H ASN A 13 5.711 -3.017 -10.337 1.00 0.00 H new ATOM 0 HA ASN A 13 6.027 -0.940 -9.632 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.132 -2.156 -7.571 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.770 -2.123 -6.949 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.152 1.079 -5.546 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.830 -0.542 -5.363 1.00 0.00 H new ATOM 217 N LEU A 14 8.779 -1.605 -10.204 1.00 0.00 N ATOM 218 CA LEU A 14 10.159 -1.247 -10.512 1.00 0.00 C ATOM 219 C LEU A 14 10.148 0.210 -10.985 1.00 0.00 C ATOM 220 O LEU A 14 9.287 0.584 -11.786 1.00 0.00 O ATOM 221 CB LEU A 14 10.652 -2.226 -11.596 1.00 0.00 C ATOM 222 CG LEU A 14 12.165 -2.495 -11.669 1.00 0.00 C ATOM 223 CD1 LEU A 14 12.386 -3.597 -12.714 1.00 0.00 C ATOM 224 CD2 LEU A 14 13.003 -1.265 -12.035 1.00 0.00 C ATOM 0 H LEU A 14 8.387 -2.266 -10.874 1.00 0.00 H new ATOM 0 HA LEU A 14 10.834 -1.322 -9.659 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.147 -3.180 -11.444 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.330 -1.846 -12.565 1.00 0.00 H new ATOM 0 HG LEU A 14 12.499 -2.791 -10.674 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.451 -3.815 -12.793 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.853 -4.498 -12.411 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.011 -3.262 -13.681 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.058 -1.539 -12.065 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.696 -0.894 -13.013 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.852 -0.486 -11.287 1.00 0.00 H new ATOM 236 N ASN A 15 11.054 1.050 -10.473 1.00 0.00 N ATOM 237 CA ASN A 15 11.097 2.465 -10.839 1.00 0.00 C ATOM 238 C ASN A 15 11.463 2.609 -12.318 1.00 0.00 C ATOM 239 O ASN A 15 12.584 2.298 -12.722 1.00 0.00 O ATOM 240 CB ASN A 15 12.059 3.249 -9.931 1.00 0.00 C ATOM 241 CG ASN A 15 11.925 4.761 -10.135 1.00 0.00 C ATOM 242 OD1 ASN A 15 11.657 5.245 -11.229 1.00 0.00 O ATOM 243 ND2 ASN A 15 12.084 5.542 -9.081 1.00 0.00 N ATOM 0 H ASN A 15 11.769 0.770 -9.801 1.00 0.00 H new ATOM 0 HA ASN A 15 10.107 2.896 -10.690 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.857 3.003 -8.888 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.085 2.943 -10.138 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.984 6.553 -9.175 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.307 5.134 -8.173 1.00 0.00 H new ATOM 250 N GLU A 16 10.521 3.100 -13.122 1.00 0.00 N ATOM 251 CA GLU A 16 10.655 3.252 -14.568 1.00 0.00 C ATOM 252 C GLU A 16 11.777 4.209 -15.006 1.00 0.00 C ATOM 253 O GLU A 16 12.097 4.250 -16.194 1.00 0.00 O ATOM 254 CB GLU A 16 9.300 3.661 -15.175 1.00 0.00 C ATOM 255 CG GLU A 16 8.821 5.051 -14.725 1.00 0.00 C ATOM 256 CD GLU A 16 7.468 5.423 -15.358 1.00 0.00 C ATOM 257 OE1 GLU A 16 6.408 5.080 -14.786 1.00 0.00 O ATOM 258 OE2 GLU A 16 7.452 6.095 -16.415 1.00 0.00 O ATOM 0 H GLU A 16 9.615 3.413 -12.773 1.00 0.00 H new ATOM 0 HA GLU A 16 10.956 2.278 -14.955 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.379 3.647 -16.262 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.549 2.920 -14.900 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.732 5.070 -13.639 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.567 5.798 -14.997 1.00 0.00 H new ATOM 265 N LYS A 17 12.399 4.984 -14.107 1.00 0.00 N ATOM 266 CA LYS A 17 13.570 5.775 -14.483 1.00 0.00 C ATOM 267 C LYS A 17 14.772 4.889 -14.845 1.00 0.00 C ATOM 268 O LYS A 17 15.641 5.324 -15.599 1.00 0.00 O ATOM 269 CB LYS A 17 13.903 6.822 -13.418 1.00 0.00 C ATOM 270 CG LYS A 17 14.709 6.302 -12.220 1.00 0.00 C ATOM 271 CD LYS A 17 14.853 7.445 -11.218 1.00 0.00 C ATOM 272 CE LYS A 17 15.698 7.018 -10.010 1.00 0.00 C ATOM 273 NZ LYS A 17 15.937 8.144 -9.071 1.00 0.00 N ATOM 0 H LYS A 17 12.115 5.077 -13.132 1.00 0.00 H new ATOM 0 HA LYS A 17 13.318 6.323 -15.391 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.463 7.630 -13.889 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.971 7.251 -13.050 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.203 5.453 -11.760 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.690 5.952 -12.543 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.316 8.303 -11.705 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.867 7.764 -10.881 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.194 6.208 -9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.654 6.626 -10.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.511 7.812 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 16.441 8.907 -9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.026 8.502 -8.719 1.00 0.00 H new ATOM 287 N ILE A 18 14.836 3.674 -14.293 1.00 0.00 N ATOM 288 CA ILE A 18 15.964 2.761 -14.426 1.00 0.00 C ATOM 289 C ILE A 18 15.903 2.134 -15.823 1.00 0.00 C ATOM 290 O ILE A 18 14.929 1.448 -16.143 1.00 0.00 O ATOM 291 CB ILE A 18 15.887 1.720 -13.281 1.00 0.00 C ATOM 292 CG1 ILE A 18 15.865 2.373 -11.876 1.00 0.00 C ATOM 293 CG2 ILE A 18 17.027 0.695 -13.335 1.00 0.00 C ATOM 294 CD1 ILE A 18 17.033 3.324 -11.570 1.00 0.00 C ATOM 0 H ILE A 18 14.080 3.292 -13.725 1.00 0.00 H new ATOM 0 HA ILE A 18 16.925 3.267 -14.335 1.00 0.00 H new ATOM 0 HB ILE A 18 14.941 1.203 -13.442 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.932 2.925 -11.766 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.858 1.581 -11.127 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.923 -0.009 -12.510 1.00 0.00 H new ATOM 0 HG22 ILE A 18 16.986 0.154 -14.281 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.984 1.210 -13.253 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.921 3.726 -10.563 1.00 0.00 H new ATOM 0 HD12 ILE A 18 17.974 2.779 -11.641 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.033 4.143 -12.289 1.00 0.00 H new ATOM 306 N LYS A 19 16.914 2.375 -16.666 1.00 0.00 N ATOM 307 CA LYS A 19 17.002 1.733 -17.986 1.00 0.00 C ATOM 308 C LYS A 19 17.470 0.279 -17.846 1.00 0.00 C ATOM 309 O LYS A 19 17.889 -0.139 -16.768 1.00 0.00 O ATOM 310 CB LYS A 19 17.873 2.577 -18.941 1.00 0.00 C ATOM 311 CG LYS A 19 19.388 2.421 -18.734 1.00 0.00 C ATOM 312 CD LYS A 19 20.216 3.500 -19.450 1.00 0.00 C ATOM 313 CE LYS A 19 20.052 3.452 -20.979 1.00 0.00 C ATOM 314 NZ LYS A 19 20.883 4.477 -21.661 1.00 0.00 N ATOM 0 H LYS A 19 17.684 3.011 -16.459 1.00 0.00 H new ATOM 0 HA LYS A 19 16.012 1.690 -18.439 1.00 0.00 H new ATOM 0 HB2 LYS A 19 17.630 2.305 -19.968 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.609 3.628 -18.819 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.607 2.454 -17.667 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.697 1.439 -19.092 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.917 4.483 -19.087 1.00 0.00 H new ATOM 0 HD3 LYS A 19 21.269 3.373 -19.197 1.00 0.00 H new ATOM 0 HE2 LYS A 19 20.328 2.462 -21.342 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.004 3.606 -21.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 20.743 4.410 -22.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.603 5.424 -21.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 21.886 4.316 -21.437 1.00 0.00 H new ATOM 328 N LYS A 20 17.466 -0.482 -18.946 1.00 0.00 N ATOM 329 CA LYS A 20 17.829 -1.906 -18.965 1.00 0.00 C ATOM 330 C LYS A 20 19.221 -2.129 -18.381 1.00 0.00 C ATOM 331 O LYS A 20 19.412 -3.013 -17.553 1.00 0.00 O ATOM 332 CB LYS A 20 17.770 -2.429 -20.413 1.00 0.00 C ATOM 333 CG LYS A 20 17.920 -3.958 -20.487 1.00 0.00 C ATOM 334 CD LYS A 20 17.944 -4.438 -21.947 1.00 0.00 C ATOM 335 CE LYS A 20 18.133 -5.961 -22.013 1.00 0.00 C ATOM 336 NZ LYS A 20 18.239 -6.458 -23.410 1.00 0.00 N ATOM 0 H LYS A 20 17.206 -0.121 -19.864 1.00 0.00 H new ATOM 0 HA LYS A 20 17.118 -2.454 -18.348 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.822 -2.137 -20.864 1.00 0.00 H new ATOM 0 HB3 LYS A 20 18.560 -1.960 -20.999 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.839 -4.262 -19.985 1.00 0.00 H new ATOM 0 HG3 LYS A 20 17.095 -4.434 -19.957 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.014 -4.160 -22.442 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.752 -3.942 -22.485 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.032 -6.237 -21.463 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.294 -6.450 -21.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.365 -7.490 -23.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.371 -6.219 -23.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.055 -6.013 -23.876 1.00 0.00 H new ATOM 350 N GLU A 21 20.190 -1.327 -18.815 1.00 0.00 N ATOM 351 CA GLU A 21 21.575 -1.438 -18.379 1.00 0.00 C ATOM 352 C GLU A 21 21.679 -1.208 -16.869 1.00 0.00 C ATOM 353 O GLU A 21 22.347 -1.970 -16.167 1.00 0.00 O ATOM 354 CB GLU A 21 22.392 -0.428 -19.196 1.00 0.00 C ATOM 355 CG GLU A 21 23.862 -0.349 -18.764 1.00 0.00 C ATOM 356 CD GLU A 21 24.687 0.523 -19.725 1.00 0.00 C ATOM 357 OE1 GLU A 21 24.783 1.754 -19.511 1.00 0.00 O ATOM 358 OE2 GLU A 21 25.269 -0.013 -20.696 1.00 0.00 O ATOM 0 H GLU A 21 20.032 -0.575 -19.486 1.00 0.00 H new ATOM 0 HA GLU A 21 21.972 -2.438 -18.554 1.00 0.00 H new ATOM 0 HB2 GLU A 21 22.344 -0.700 -20.250 1.00 0.00 H new ATOM 0 HB3 GLU A 21 21.938 0.559 -19.100 1.00 0.00 H new ATOM 0 HG2 GLU A 21 23.924 0.060 -17.756 1.00 0.00 H new ATOM 0 HG3 GLU A 21 24.286 -1.353 -18.727 1.00 0.00 H new ATOM 365 N GLU A 22 20.982 -0.192 -16.360 1.00 0.00 N ATOM 366 CA GLU A 22 20.994 0.145 -14.944 1.00 0.00 C ATOM 367 C GLU A 22 20.311 -0.957 -14.129 1.00 0.00 C ATOM 368 O GLU A 22 20.791 -1.317 -13.056 1.00 0.00 O ATOM 369 CB GLU A 22 20.302 1.494 -14.717 1.00 0.00 C ATOM 370 CG GLU A 22 21.102 2.681 -15.269 1.00 0.00 C ATOM 371 CD GLU A 22 20.299 3.994 -15.174 1.00 0.00 C ATOM 372 OE1 GLU A 22 19.122 4.026 -15.602 1.00 0.00 O ATOM 373 OE2 GLU A 22 20.852 5.005 -14.680 1.00 0.00 O ATOM 0 H GLU A 22 20.392 0.420 -16.924 1.00 0.00 H new ATOM 0 HA GLU A 22 22.028 0.226 -14.610 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.319 1.475 -15.188 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.141 1.638 -13.649 1.00 0.00 H new ATOM 0 HG2 GLU A 22 22.035 2.782 -14.714 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.368 2.490 -16.309 1.00 0.00 H new ATOM 380 N LEU A 23 19.222 -1.525 -14.652 1.00 0.00 N ATOM 381 CA LEU A 23 18.501 -2.647 -14.063 1.00 0.00 C ATOM 382 C LEU A 23 19.438 -3.851 -13.950 1.00 0.00 C ATOM 383 O LEU A 23 19.574 -4.408 -12.859 1.00 0.00 O ATOM 384 CB LEU A 23 17.223 -2.884 -14.908 1.00 0.00 C ATOM 385 CG LEU A 23 16.401 -4.174 -14.722 1.00 0.00 C ATOM 386 CD1 LEU A 23 17.030 -5.391 -15.402 1.00 0.00 C ATOM 387 CD2 LEU A 23 16.104 -4.440 -13.246 1.00 0.00 C ATOM 0 H LEU A 23 18.807 -1.203 -15.526 1.00 0.00 H new ATOM 0 HA LEU A 23 18.172 -2.449 -13.043 1.00 0.00 H new ATOM 0 HB2 LEU A 23 16.553 -2.044 -14.724 1.00 0.00 H new ATOM 0 HB3 LEU A 23 17.515 -2.835 -15.957 1.00 0.00 H new ATOM 0 HG LEU A 23 15.451 -4.006 -15.229 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.403 -6.266 -15.234 1.00 0.00 H new ATOM 0 HD12 LEU A 23 17.115 -5.206 -16.473 1.00 0.00 H new ATOM 0 HD13 LEU A 23 18.021 -5.569 -14.985 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.523 -5.357 -13.151 1.00 0.00 H new ATOM 0 HD22 LEU A 23 17.041 -4.546 -12.700 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.536 -3.606 -12.833 1.00 0.00 H new ATOM 399 N LYS A 24 20.129 -4.227 -15.035 1.00 0.00 N ATOM 400 CA LYS A 24 21.052 -5.364 -15.015 1.00 0.00 C ATOM 401 C LYS A 24 22.142 -5.136 -13.976 1.00 0.00 C ATOM 402 O LYS A 24 22.389 -6.013 -13.141 1.00 0.00 O ATOM 403 CB LYS A 24 21.679 -5.602 -16.400 1.00 0.00 C ATOM 404 CG LYS A 24 20.702 -6.225 -17.411 1.00 0.00 C ATOM 405 CD LYS A 24 21.400 -6.673 -18.707 1.00 0.00 C ATOM 406 CE LYS A 24 22.072 -5.513 -19.460 1.00 0.00 C ATOM 407 NZ LYS A 24 22.806 -5.978 -20.666 1.00 0.00 N ATOM 0 H LYS A 24 20.064 -3.757 -15.938 1.00 0.00 H new ATOM 0 HA LYS A 24 20.483 -6.254 -14.748 1.00 0.00 H new ATOM 0 HB2 LYS A 24 22.043 -4.653 -16.794 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.545 -6.255 -16.292 1.00 0.00 H new ATOM 0 HG2 LYS A 24 20.208 -7.082 -16.953 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.924 -5.501 -17.653 1.00 0.00 H new ATOM 0 HD2 LYS A 24 22.150 -7.426 -18.467 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.669 -7.148 -19.361 1.00 0.00 H new ATOM 0 HE2 LYS A 24 21.315 -4.786 -19.755 1.00 0.00 H new ATOM 0 HE3 LYS A 24 22.763 -5.000 -18.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 23.243 -5.163 -21.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 23.546 -6.652 -20.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 22.143 -6.445 -21.317 1.00 0.00 H new ATOM 421 N LYS A 25 22.768 -3.953 -14.005 1.00 0.00 N ATOM 422 CA LYS A 25 23.823 -3.601 -13.066 1.00 0.00 C ATOM 423 C LYS A 25 23.302 -3.723 -11.640 1.00 0.00 C ATOM 424 O LYS A 25 23.947 -4.378 -10.830 1.00 0.00 O ATOM 425 CB LYS A 25 24.349 -2.188 -13.381 1.00 0.00 C ATOM 426 CG LYS A 25 25.452 -1.688 -12.430 1.00 0.00 C ATOM 427 CD LYS A 25 26.707 -2.574 -12.421 1.00 0.00 C ATOM 428 CE LYS A 25 27.788 -1.938 -11.536 1.00 0.00 C ATOM 429 NZ LYS A 25 29.037 -2.738 -11.508 1.00 0.00 N ATOM 0 H LYS A 25 22.553 -3.220 -14.681 1.00 0.00 H new ATOM 0 HA LYS A 25 24.662 -4.290 -13.166 1.00 0.00 H new ATOM 0 HB2 LYS A 25 24.734 -2.177 -14.401 1.00 0.00 H new ATOM 0 HB3 LYS A 25 23.514 -1.488 -13.348 1.00 0.00 H new ATOM 0 HG2 LYS A 25 25.735 -0.675 -12.717 1.00 0.00 H new ATOM 0 HG3 LYS A 25 25.050 -1.632 -11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 25 26.459 -3.568 -12.049 1.00 0.00 H new ATOM 0 HD3 LYS A 25 27.083 -2.698 -13.437 1.00 0.00 H new ATOM 0 HE2 LYS A 25 28.010 -0.935 -11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 25 27.406 -1.830 -10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 29.736 -2.269 -10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 28.833 -3.687 -11.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 29.418 -2.820 -12.472 1.00 0.00 H new ATOM 443 N SER A 26 22.143 -3.141 -11.336 1.00 0.00 N ATOM 444 CA SER A 26 21.599 -3.113 -9.985 1.00 0.00 C ATOM 445 C SER A 26 21.326 -4.524 -9.466 1.00 0.00 C ATOM 446 O SER A 26 21.738 -4.877 -8.359 1.00 0.00 O ATOM 447 CB SER A 26 20.337 -2.245 -9.958 1.00 0.00 C ATOM 448 OG SER A 26 20.619 -0.939 -10.421 1.00 0.00 O ATOM 0 H SER A 26 21.554 -2.674 -12.026 1.00 0.00 H new ATOM 0 HA SER A 26 22.337 -2.672 -9.316 1.00 0.00 H new ATOM 0 HB2 SER A 26 19.565 -2.698 -10.580 1.00 0.00 H new ATOM 0 HB3 SER A 26 19.943 -2.199 -8.943 1.00 0.00 H new ATOM 0 HG SER A 26 20.834 -0.970 -11.377 1.00 0.00 H new ATOM 454 N LEU A 27 20.689 -5.365 -10.283 1.00 0.00 N ATOM 455 CA LEU A 27 20.401 -6.747 -9.916 1.00 0.00 C ATOM 456 C LEU A 27 21.692 -7.483 -9.592 1.00 0.00 C ATOM 457 O LEU A 27 21.802 -8.068 -8.516 1.00 0.00 O ATOM 458 CB LEU A 27 19.690 -7.467 -11.064 1.00 0.00 C ATOM 459 CG LEU A 27 18.212 -7.080 -11.212 1.00 0.00 C ATOM 460 CD1 LEU A 27 17.754 -7.565 -12.580 1.00 0.00 C ATOM 461 CD2 LEU A 27 17.330 -7.704 -10.130 1.00 0.00 C ATOM 0 H LEU A 27 20.361 -5.106 -11.213 1.00 0.00 H new ATOM 0 HA LEU A 27 19.754 -6.739 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.209 -7.247 -11.997 1.00 0.00 H new ATOM 0 HB3 LEU A 27 19.761 -8.543 -10.906 1.00 0.00 H new ATOM 0 HG LEU A 27 18.118 -5.999 -11.107 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.705 -7.308 -12.724 1.00 0.00 H new ATOM 0 HD12 LEU A 27 18.354 -7.088 -13.355 1.00 0.00 H new ATOM 0 HD13 LEU A 27 17.875 -8.647 -12.642 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.295 -7.397 -10.282 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.399 -8.790 -10.186 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.667 -7.370 -9.149 1.00 0.00 H new ATOM 473 N TYR A 28 22.683 -7.432 -10.485 1.00 0.00 N ATOM 474 CA TYR A 28 23.927 -8.145 -10.234 1.00 0.00 C ATOM 475 C TYR A 28 24.672 -7.548 -9.027 1.00 0.00 C ATOM 476 O TYR A 28 25.372 -8.267 -8.314 1.00 0.00 O ATOM 477 CB TYR A 28 24.791 -8.154 -11.501 1.00 0.00 C ATOM 478 CG TYR A 28 25.776 -9.308 -11.532 1.00 0.00 C ATOM 479 CD1 TYR A 28 25.357 -10.566 -12.007 1.00 0.00 C ATOM 480 CD2 TYR A 28 27.095 -9.139 -11.067 1.00 0.00 C ATOM 481 CE1 TYR A 28 26.250 -11.651 -12.025 1.00 0.00 C ATOM 482 CE2 TYR A 28 27.992 -10.223 -11.073 1.00 0.00 C ATOM 483 CZ TYR A 28 27.573 -11.486 -11.554 1.00 0.00 C ATOM 484 OH TYR A 28 28.425 -12.549 -11.564 1.00 0.00 O ATOM 0 H TYR A 28 22.648 -6.917 -11.365 1.00 0.00 H new ATOM 0 HA TYR A 28 23.698 -9.180 -9.980 1.00 0.00 H new ATOM 0 HB2 TYR A 28 24.144 -8.211 -12.376 1.00 0.00 H new ATOM 0 HB3 TYR A 28 25.338 -7.214 -11.569 1.00 0.00 H new ATOM 0 HD1 TYR A 28 24.345 -10.697 -12.359 1.00 0.00 H new ATOM 0 HD2 TYR A 28 27.419 -8.174 -10.705 1.00 0.00 H new ATOM 0 HE1 TYR A 28 25.926 -12.611 -12.399 1.00 0.00 H new ATOM 0 HE2 TYR A 28 29.001 -10.091 -10.710 1.00 0.00 H new ATOM 0 HH TYR A 28 29.296 -12.273 -11.210 1.00 0.00 H new ATOM 494 N ALA A 29 24.514 -6.241 -8.785 1.00 0.00 N ATOM 495 CA ALA A 29 25.175 -5.521 -7.706 1.00 0.00 C ATOM 496 C ALA A 29 24.566 -5.796 -6.328 1.00 0.00 C ATOM 497 O ALA A 29 25.302 -5.648 -5.351 1.00 0.00 O ATOM 498 CB ALA A 29 25.160 -4.012 -7.978 1.00 0.00 C ATOM 0 H ALA A 29 23.908 -5.647 -9.351 1.00 0.00 H new ATOM 0 HA ALA A 29 26.200 -5.890 -7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 29 25.658 -3.490 -7.161 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.682 -3.806 -8.912 1.00 0.00 H new ATOM 0 HB3 ALA A 29 24.129 -3.666 -8.054 1.00 0.00 H new ATOM 504 N ILE A 30 23.279 -6.167 -6.211 1.00 0.00 N ATOM 505 CA ILE A 30 22.669 -6.440 -4.898 1.00 0.00 C ATOM 506 C ILE A 30 21.802 -7.701 -4.817 1.00 0.00 C ATOM 507 O ILE A 30 21.910 -8.411 -3.817 1.00 0.00 O ATOM 508 CB ILE A 30 21.904 -5.219 -4.330 1.00 0.00 C ATOM 509 CG1 ILE A 30 21.039 -4.465 -5.362 1.00 0.00 C ATOM 510 CG2 ILE A 30 22.889 -4.257 -3.635 1.00 0.00 C ATOM 511 CD1 ILE A 30 20.042 -3.485 -4.734 1.00 0.00 C ATOM 0 H ILE A 30 22.646 -6.284 -7.002 1.00 0.00 H new ATOM 0 HA ILE A 30 23.534 -6.642 -4.266 1.00 0.00 H new ATOM 0 HB ILE A 30 21.195 -5.620 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 30 21.694 -3.918 -6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 30 20.491 -5.191 -5.963 1.00 0.00 H new ATOM 0 HG21 ILE A 30 22.343 -3.401 -3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 30 23.391 -4.777 -2.819 1.00 0.00 H new ATOM 0 HG23 ILE A 30 23.630 -3.912 -4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.470 -2.993 -5.521 1.00 0.00 H new ATOM 0 HD12 ILE A 30 19.362 -4.028 -4.077 1.00 0.00 H new ATOM 0 HD13 ILE A 30 20.583 -2.736 -4.156 1.00 0.00 H new ATOM 523 N PHE A 31 20.963 -8.021 -5.806 1.00 0.00 N ATOM 524 CA PHE A 31 20.127 -9.225 -5.738 1.00 0.00 C ATOM 525 C PHE A 31 20.978 -10.496 -5.663 1.00 0.00 C ATOM 526 O PHE A 31 20.599 -11.439 -4.967 1.00 0.00 O ATOM 527 CB PHE A 31 19.139 -9.315 -6.911 1.00 0.00 C ATOM 528 CG PHE A 31 17.766 -8.721 -6.658 1.00 0.00 C ATOM 529 CD1 PHE A 31 17.610 -7.337 -6.463 1.00 0.00 C ATOM 530 CD2 PHE A 31 16.632 -9.559 -6.642 1.00 0.00 C ATOM 531 CE1 PHE A 31 16.328 -6.798 -6.256 1.00 0.00 C ATOM 532 CE2 PHE A 31 15.353 -9.020 -6.426 1.00 0.00 C ATOM 533 CZ PHE A 31 15.201 -7.637 -6.231 1.00 0.00 C ATOM 0 H PHE A 31 20.844 -7.470 -6.656 1.00 0.00 H new ATOM 0 HA PHE A 31 19.545 -9.143 -4.820 1.00 0.00 H new ATOM 0 HB2 PHE A 31 19.579 -8.813 -7.773 1.00 0.00 H new ATOM 0 HB3 PHE A 31 19.017 -10.364 -7.181 1.00 0.00 H new ATOM 0 HD1 PHE A 31 18.474 -6.689 -6.472 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.748 -10.622 -6.797 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.209 -5.734 -6.116 1.00 0.00 H new ATOM 0 HE2 PHE A 31 14.489 -9.667 -6.410 1.00 0.00 H new ATOM 0 HZ PHE A 31 14.219 -7.219 -6.062 1.00 0.00 H new ATOM 543 N SER A 32 22.132 -10.535 -6.336 1.00 0.00 N ATOM 544 CA SER A 32 23.001 -11.704 -6.313 1.00 0.00 C ATOM 545 C SER A 32 23.466 -12.084 -4.902 1.00 0.00 C ATOM 546 O SER A 32 23.607 -13.276 -4.633 1.00 0.00 O ATOM 547 CB SER A 32 24.180 -11.498 -7.260 1.00 0.00 C ATOM 548 OG SER A 32 23.686 -11.520 -8.588 1.00 0.00 O ATOM 0 H SER A 32 22.483 -9.764 -6.904 1.00 0.00 H new ATOM 0 HA SER A 32 22.412 -12.552 -6.662 1.00 0.00 H new ATOM 0 HB2 SER A 32 24.673 -10.548 -7.053 1.00 0.00 H new ATOM 0 HB3 SER A 32 24.924 -12.282 -7.118 1.00 0.00 H new ATOM 0 HG SER A 32 24.427 -11.388 -9.215 1.00 0.00 H new ATOM 554 N GLN A 33 23.612 -11.141 -3.967 1.00 0.00 N ATOM 555 CA GLN A 33 23.993 -11.448 -2.588 1.00 0.00 C ATOM 556 C GLN A 33 22.940 -12.304 -1.861 1.00 0.00 C ATOM 557 O GLN A 33 23.237 -12.845 -0.794 1.00 0.00 O ATOM 558 CB GLN A 33 24.292 -10.162 -1.794 1.00 0.00 C ATOM 559 CG GLN A 33 25.616 -9.478 -2.180 1.00 0.00 C ATOM 560 CD GLN A 33 25.489 -8.474 -3.328 1.00 0.00 C ATOM 561 OE1 GLN A 33 25.098 -8.805 -4.444 1.00 0.00 O ATOM 562 NE2 GLN A 33 25.823 -7.217 -3.088 1.00 0.00 N ATOM 0 H GLN A 33 23.470 -10.147 -4.145 1.00 0.00 H new ATOM 0 HA GLN A 33 24.905 -12.042 -2.643 1.00 0.00 H new ATOM 0 HB2 GLN A 33 23.474 -9.457 -1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 33 24.316 -10.402 -0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 33 26.016 -8.965 -1.305 1.00 0.00 H new ATOM 0 HG3 GLN A 33 26.340 -10.243 -2.459 1.00 0.00 H new ATOM 0 HE21 GLN A 33 26.148 -6.944 -2.160 1.00 0.00 H new ATOM 0 HE22 GLN A 33 25.756 -6.521 -3.830 1.00 0.00 H new ATOM 571 N PHE A 34 21.738 -12.469 -2.428 1.00 0.00 N ATOM 572 CA PHE A 34 20.643 -13.224 -1.833 1.00 0.00 C ATOM 573 C PHE A 34 20.345 -14.516 -2.607 1.00 0.00 C ATOM 574 O PHE A 34 19.371 -15.191 -2.267 1.00 0.00 O ATOM 575 CB PHE A 34 19.412 -12.311 -1.700 1.00 0.00 C ATOM 576 CG PHE A 34 19.683 -11.046 -0.904 1.00 0.00 C ATOM 577 CD1 PHE A 34 19.732 -11.093 0.503 1.00 0.00 C ATOM 578 CD2 PHE A 34 19.939 -9.832 -1.568 1.00 0.00 C ATOM 579 CE1 PHE A 34 20.034 -9.931 1.238 1.00 0.00 C ATOM 580 CE2 PHE A 34 20.243 -8.673 -0.834 1.00 0.00 C ATOM 581 CZ PHE A 34 20.288 -8.720 0.570 1.00 0.00 C ATOM 0 H PHE A 34 21.501 -12.069 -3.336 1.00 0.00 H new ATOM 0 HA PHE A 34 20.936 -13.550 -0.835 1.00 0.00 H new ATOM 0 HB2 PHE A 34 19.063 -12.037 -2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 34 18.606 -12.867 -1.221 1.00 0.00 H new ATOM 0 HD1 PHE A 34 19.538 -12.022 1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 34 19.902 -9.791 -2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 34 20.071 -9.970 2.317 1.00 0.00 H new ATOM 0 HE2 PHE A 34 20.442 -7.745 -1.349 1.00 0.00 H new ATOM 0 HZ PHE A 34 20.517 -7.828 1.134 1.00 0.00 H new ATOM 591 N GLY A 35 21.160 -14.899 -3.601 1.00 0.00 N ATOM 592 CA GLY A 35 21.001 -16.202 -4.253 1.00 0.00 C ATOM 593 C GLY A 35 21.743 -16.417 -5.575 1.00 0.00 C ATOM 594 O GLY A 35 21.577 -17.478 -6.168 1.00 0.00 O ATOM 0 H GLY A 35 21.925 -14.332 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.327 -16.972 -3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.938 -16.363 -4.432 1.00 0.00 H new ATOM 598 N GLN A 36 22.542 -15.449 -6.028 1.00 0.00 N ATOM 599 CA GLN A 36 23.177 -15.356 -7.343 1.00 0.00 C ATOM 600 C GLN A 36 22.164 -15.342 -8.500 1.00 0.00 C ATOM 601 O GLN A 36 21.538 -16.354 -8.832 1.00 0.00 O ATOM 602 CB GLN A 36 24.294 -16.408 -7.497 1.00 0.00 C ATOM 603 CG GLN A 36 25.107 -16.262 -8.795 1.00 0.00 C ATOM 604 CD GLN A 36 25.753 -14.881 -8.950 1.00 0.00 C ATOM 605 OE1 GLN A 36 26.619 -14.490 -8.172 1.00 0.00 O ATOM 606 NE2 GLN A 36 25.333 -14.101 -9.934 1.00 0.00 N ATOM 0 H GLN A 36 22.780 -14.650 -5.440 1.00 0.00 H new ATOM 0 HA GLN A 36 23.664 -14.383 -7.404 1.00 0.00 H new ATOM 0 HB2 GLN A 36 24.970 -16.334 -6.645 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.850 -17.403 -7.467 1.00 0.00 H new ATOM 0 HG2 GLN A 36 25.885 -17.025 -8.816 1.00 0.00 H new ATOM 0 HG3 GLN A 36 24.454 -16.449 -9.648 1.00 0.00 H new ATOM 0 HE21 GLN A 36 24.613 -14.433 -10.576 1.00 0.00 H new ATOM 0 HE22 GLN A 36 25.729 -13.168 -10.050 1.00 0.00 H new ATOM 615 N ILE A 37 22.035 -14.176 -9.141 1.00 0.00 N ATOM 616 CA ILE A 37 21.298 -14.024 -10.392 1.00 0.00 C ATOM 617 C ILE A 37 21.949 -14.968 -11.414 1.00 0.00 C ATOM 618 O ILE A 37 23.179 -15.039 -11.493 1.00 0.00 O ATOM 619 CB ILE A 37 21.383 -12.548 -10.853 1.00 0.00 C ATOM 620 CG1 ILE A 37 20.664 -11.561 -9.901 1.00 0.00 C ATOM 621 CG2 ILE A 37 20.879 -12.362 -12.294 1.00 0.00 C ATOM 622 CD1 ILE A 37 19.139 -11.499 -10.055 1.00 0.00 C ATOM 0 H ILE A 37 22.444 -13.306 -8.800 1.00 0.00 H new ATOM 0 HA ILE A 37 20.243 -14.275 -10.278 1.00 0.00 H new ATOM 0 HB ILE A 37 22.445 -12.304 -10.822 1.00 0.00 H new ATOM 0 HG12 ILE A 37 20.898 -11.837 -8.873 1.00 0.00 H new ATOM 0 HG13 ILE A 37 21.071 -10.563 -10.064 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.957 -11.312 -12.574 1.00 0.00 H new ATOM 0 HG22 ILE A 37 21.484 -12.964 -12.972 1.00 0.00 H new ATOM 0 HG23 ILE A 37 19.838 -12.678 -12.359 1.00 0.00 H new ATOM 0 HD11 ILE A 37 18.731 -10.780 -9.345 1.00 0.00 H new ATOM 0 HD12 ILE A 37 18.888 -11.190 -11.070 1.00 0.00 H new ATOM 0 HD13 ILE A 37 18.713 -12.483 -9.860 1.00 0.00 H new ATOM 634 N LEU A 38 21.138 -15.650 -12.222 1.00 0.00 N ATOM 635 CA LEU A 38 21.588 -16.515 -13.303 1.00 0.00 C ATOM 636 C LEU A 38 21.253 -15.883 -14.657 1.00 0.00 C ATOM 637 O LEU A 38 22.078 -15.966 -15.565 1.00 0.00 O ATOM 638 CB LEU A 38 20.935 -17.898 -13.142 1.00 0.00 C ATOM 639 CG LEU A 38 21.361 -18.931 -14.203 1.00 0.00 C ATOM 640 CD1 LEU A 38 22.869 -19.210 -14.171 1.00 0.00 C ATOM 641 CD2 LEU A 38 20.603 -20.238 -13.952 1.00 0.00 C ATOM 0 H LEU A 38 20.122 -15.612 -12.137 1.00 0.00 H new ATOM 0 HA LEU A 38 22.670 -16.637 -13.261 1.00 0.00 H new ATOM 0 HB2 LEU A 38 21.179 -18.289 -12.154 1.00 0.00 H new ATOM 0 HB3 LEU A 38 19.852 -17.782 -13.180 1.00 0.00 H new ATOM 0 HG LEU A 38 21.123 -18.521 -15.185 1.00 0.00 H new ATOM 0 HD11 LEU A 38 23.120 -19.944 -14.937 1.00 0.00 H new ATOM 0 HD12 LEU A 38 23.414 -18.286 -14.362 1.00 0.00 H new ATOM 0 HD13 LEU A 38 23.146 -19.599 -13.191 1.00 0.00 H new ATOM 0 HD21 LEU A 38 20.896 -20.978 -14.697 1.00 0.00 H new ATOM 0 HD22 LEU A 38 20.842 -20.612 -12.956 1.00 0.00 H new ATOM 0 HD23 LEU A 38 19.531 -20.056 -14.024 1.00 0.00 H new ATOM 653 N ASP A 39 20.099 -15.216 -14.797 1.00 0.00 N ATOM 654 CA ASP A 39 19.758 -14.452 -16.008 1.00 0.00 C ATOM 655 C ASP A 39 18.721 -13.371 -15.678 1.00 0.00 C ATOM 656 O ASP A 39 18.110 -13.408 -14.611 1.00 0.00 O ATOM 657 CB ASP A 39 19.266 -15.395 -17.127 1.00 0.00 C ATOM 658 CG ASP A 39 19.047 -14.681 -18.472 1.00 0.00 C ATOM 659 OD1 ASP A 39 19.787 -13.721 -18.784 1.00 0.00 O ATOM 660 OD2 ASP A 39 18.147 -15.099 -19.234 1.00 0.00 O ATOM 0 H ASP A 39 19.377 -15.190 -14.077 1.00 0.00 H new ATOM 0 HA ASP A 39 20.654 -13.953 -16.376 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.992 -16.196 -17.263 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.332 -15.861 -16.815 1.00 0.00 H new ATOM 665 N ILE A 40 18.522 -12.396 -16.567 1.00 0.00 N ATOM 666 CA ILE A 40 17.738 -11.183 -16.343 1.00 0.00 C ATOM 667 C ILE A 40 16.936 -10.919 -17.623 1.00 0.00 C ATOM 668 O ILE A 40 17.464 -11.066 -18.728 1.00 0.00 O ATOM 669 CB ILE A 40 18.687 -9.994 -16.026 1.00 0.00 C ATOM 670 CG1 ILE A 40 19.618 -10.285 -14.818 1.00 0.00 C ATOM 671 CG2 ILE A 40 17.886 -8.698 -15.809 1.00 0.00 C ATOM 672 CD1 ILE A 40 20.648 -9.192 -14.494 1.00 0.00 C ATOM 0 H ILE A 40 18.922 -12.434 -17.505 1.00 0.00 H new ATOM 0 HA ILE A 40 17.063 -11.299 -15.495 1.00 0.00 H new ATOM 0 HB ILE A 40 19.332 -9.860 -16.894 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.999 -10.448 -13.936 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.151 -11.216 -15.009 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.571 -7.879 -15.589 1.00 0.00 H new ATOM 0 HG22 ILE A 40 17.320 -8.465 -16.711 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.199 -8.831 -14.974 1.00 0.00 H new ATOM 0 HD11 ILE A 40 21.245 -9.498 -13.635 1.00 0.00 H new ATOM 0 HD12 ILE A 40 21.301 -9.041 -15.354 1.00 0.00 H new ATOM 0 HD13 ILE A 40 20.130 -8.261 -14.264 1.00 0.00 H new ATOM 684 N VAL A 41 15.679 -10.493 -17.476 1.00 0.00 N ATOM 685 CA VAL A 41 14.760 -10.207 -18.569 1.00 0.00 C ATOM 686 C VAL A 41 14.012 -8.912 -18.220 1.00 0.00 C ATOM 687 O VAL A 41 13.042 -8.917 -17.458 1.00 0.00 O ATOM 688 CB VAL A 41 13.817 -11.412 -18.814 1.00 0.00 C ATOM 689 CG1 VAL A 41 12.875 -11.156 -20.001 1.00 0.00 C ATOM 690 CG2 VAL A 41 14.576 -12.722 -19.085 1.00 0.00 C ATOM 0 H VAL A 41 15.263 -10.334 -16.558 1.00 0.00 H new ATOM 0 HA VAL A 41 15.292 -10.057 -19.508 1.00 0.00 H new ATOM 0 HB VAL A 41 13.246 -11.520 -17.892 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.228 -12.021 -20.145 1.00 0.00 H new ATOM 0 HG12 VAL A 41 12.265 -10.276 -19.798 1.00 0.00 H new ATOM 0 HG13 VAL A 41 13.464 -10.989 -20.903 1.00 0.00 H new ATOM 0 HG21 VAL A 41 13.862 -13.529 -19.249 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.200 -12.604 -19.971 1.00 0.00 H new ATOM 0 HG23 VAL A 41 15.205 -12.962 -18.228 1.00 0.00 H new ATOM 700 N ALA A 42 14.493 -7.795 -18.764 1.00 0.00 N ATOM 701 CA ALA A 42 13.853 -6.488 -18.768 1.00 0.00 C ATOM 702 C ALA A 42 14.207 -5.829 -20.103 1.00 0.00 C ATOM 703 O ALA A 42 15.180 -6.231 -20.748 1.00 0.00 O ATOM 704 CB ALA A 42 14.382 -5.638 -17.614 1.00 0.00 C ATOM 0 H ALA A 42 15.394 -7.782 -19.241 1.00 0.00 H new ATOM 0 HA ALA A 42 12.774 -6.582 -18.647 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.896 -4.663 -17.628 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.170 -6.136 -16.668 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.459 -5.508 -17.722 1.00 0.00 H new ATOM 710 N LEU A 43 13.448 -4.818 -20.512 1.00 0.00 N ATOM 711 CA LEU A 43 13.633 -4.077 -21.757 1.00 0.00 C ATOM 712 C LEU A 43 13.449 -2.590 -21.449 1.00 0.00 C ATOM 713 O LEU A 43 12.931 -2.223 -20.395 1.00 0.00 O ATOM 714 CB LEU A 43 12.603 -4.501 -22.832 1.00 0.00 C ATOM 715 CG LEU A 43 12.757 -5.848 -23.569 1.00 0.00 C ATOM 716 CD1 LEU A 43 14.163 -6.034 -24.145 1.00 0.00 C ATOM 717 CD2 LEU A 43 12.355 -7.072 -22.737 1.00 0.00 C ATOM 0 H LEU A 43 12.657 -4.478 -19.965 1.00 0.00 H new ATOM 0 HA LEU A 43 14.628 -4.285 -22.149 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.622 -4.504 -22.356 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.587 -3.718 -23.590 1.00 0.00 H new ATOM 0 HG LEU A 43 12.045 -5.788 -24.392 1.00 0.00 H new ATOM 0 HD11 LEU A 43 14.223 -6.996 -24.654 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.374 -5.234 -24.854 1.00 0.00 H new ATOM 0 HD13 LEU A 43 14.894 -6.005 -23.337 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.494 -7.976 -23.330 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.977 -7.125 -21.843 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.308 -6.986 -22.446 1.00 0.00 H new ATOM 847 N GLY A 50 8.786 -1.211 -15.946 1.00 0.00 N ATOM 848 CA GLY A 50 8.056 -1.106 -14.679 1.00 0.00 C ATOM 849 C GLY A 50 7.948 -2.458 -13.961 1.00 0.00 C ATOM 850 O GLY A 50 7.566 -2.519 -12.789 1.00 0.00 O ATOM 0 HA2 GLY A 50 8.560 -0.390 -14.029 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.056 -0.716 -14.869 1.00 0.00 H new ATOM 854 N GLN A 51 8.303 -3.545 -14.649 1.00 0.00 N ATOM 855 CA GLN A 51 8.371 -4.904 -14.143 1.00 0.00 C ATOM 856 C GLN A 51 9.466 -5.638 -14.923 1.00 0.00 C ATOM 857 O GLN A 51 9.870 -5.170 -15.989 1.00 0.00 O ATOM 858 CB GLN A 51 7.002 -5.596 -14.286 1.00 0.00 C ATOM 859 CG GLN A 51 6.365 -5.495 -15.683 1.00 0.00 C ATOM 860 CD GLN A 51 5.176 -6.441 -15.865 1.00 0.00 C ATOM 861 OE1 GLN A 51 4.993 -7.033 -16.925 1.00 0.00 O ATOM 862 NE2 GLN A 51 4.346 -6.639 -14.857 1.00 0.00 N ATOM 0 H GLN A 51 8.565 -3.489 -15.633 1.00 0.00 H new ATOM 0 HA GLN A 51 8.617 -4.913 -13.081 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.116 -6.649 -14.030 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.315 -5.164 -13.558 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.037 -4.470 -15.854 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.119 -5.718 -16.438 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.491 -6.151 -13.973 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.560 -7.280 -14.962 1.00 0.00 H new ATOM 871 N ALA A 52 9.936 -6.774 -14.412 1.00 0.00 N ATOM 872 CA ALA A 52 11.010 -7.577 -14.988 1.00 0.00 C ATOM 873 C ALA A 52 10.858 -9.024 -14.517 1.00 0.00 C ATOM 874 O ALA A 52 10.083 -9.299 -13.595 1.00 0.00 O ATOM 875 CB ALA A 52 12.363 -7.015 -14.524 1.00 0.00 C ATOM 0 H ALA A 52 9.564 -7.175 -13.551 1.00 0.00 H new ATOM 0 HA ALA A 52 10.961 -7.544 -16.076 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.170 -7.611 -14.951 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.460 -5.981 -14.855 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.419 -7.054 -13.436 1.00 0.00 H new ATOM 881 N PHE A 53 11.647 -9.937 -15.081 1.00 0.00 N ATOM 882 CA PHE A 53 11.775 -11.304 -14.594 1.00 0.00 C ATOM 883 C PHE A 53 13.266 -11.568 -14.435 1.00 0.00 C ATOM 884 O PHE A 53 14.063 -11.074 -15.237 1.00 0.00 O ATOM 885 CB PHE A 53 11.163 -12.321 -15.569 1.00 0.00 C ATOM 886 CG PHE A 53 9.685 -12.167 -15.877 1.00 0.00 C ATOM 887 CD1 PHE A 53 8.724 -12.718 -15.009 1.00 0.00 C ATOM 888 CD2 PHE A 53 9.269 -11.540 -17.069 1.00 0.00 C ATOM 889 CE1 PHE A 53 7.358 -12.657 -15.338 1.00 0.00 C ATOM 890 CE2 PHE A 53 7.901 -11.470 -17.392 1.00 0.00 C ATOM 891 CZ PHE A 53 6.945 -12.030 -16.527 1.00 0.00 C ATOM 0 H PHE A 53 12.222 -9.742 -15.901 1.00 0.00 H new ATOM 0 HA PHE A 53 11.238 -11.416 -13.652 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.714 -12.266 -16.508 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.324 -13.320 -15.164 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.036 -13.189 -14.088 1.00 0.00 H new ATOM 0 HD2 PHE A 53 10.002 -11.112 -17.736 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.624 -13.093 -14.676 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.586 -10.986 -18.305 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.895 -11.979 -16.775 1.00 0.00 H new ATOM 901 N VAL A 54 13.659 -12.347 -13.430 1.00 0.00 N ATOM 902 CA VAL A 54 15.056 -12.710 -13.223 1.00 0.00 C ATOM 903 C VAL A 54 15.103 -14.177 -12.816 1.00 0.00 C ATOM 904 O VAL A 54 14.284 -14.641 -12.017 1.00 0.00 O ATOM 905 CB VAL A 54 15.764 -11.761 -12.227 1.00 0.00 C ATOM 906 CG1 VAL A 54 15.616 -10.287 -12.622 1.00 0.00 C ATOM 907 CG2 VAL A 54 15.271 -11.869 -10.782 1.00 0.00 C ATOM 0 H VAL A 54 13.020 -12.742 -12.740 1.00 0.00 H new ATOM 0 HA VAL A 54 15.621 -12.589 -14.147 1.00 0.00 H new ATOM 0 HB VAL A 54 16.802 -12.090 -12.278 1.00 0.00 H new ATOM 0 HG11 VAL A 54 16.130 -9.661 -11.892 1.00 0.00 H new ATOM 0 HG12 VAL A 54 16.054 -10.129 -13.608 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.559 -10.021 -12.647 1.00 0.00 H new ATOM 0 HG21 VAL A 54 15.823 -11.168 -10.156 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.208 -11.632 -10.742 1.00 0.00 H new ATOM 0 HG23 VAL A 54 15.431 -12.884 -10.418 1.00 0.00 H new ATOM 917 N ILE A 55 16.034 -14.911 -13.414 1.00 0.00 N ATOM 918 CA ILE A 55 16.242 -16.331 -13.214 1.00 0.00 C ATOM 919 C ILE A 55 17.410 -16.405 -12.231 1.00 0.00 C ATOM 920 O ILE A 55 18.370 -15.638 -12.359 1.00 0.00 O ATOM 921 CB ILE A 55 16.563 -17.031 -14.561 1.00 0.00 C ATOM 922 CG1 ILE A 55 15.514 -16.886 -15.699 1.00 0.00 C ATOM 923 CG2 ILE A 55 16.757 -18.541 -14.324 1.00 0.00 C ATOM 924 CD1 ILE A 55 15.292 -15.481 -16.287 1.00 0.00 C ATOM 0 H ILE A 55 16.692 -14.509 -14.081 1.00 0.00 H new ATOM 0 HA ILE A 55 15.361 -16.843 -12.827 1.00 0.00 H new ATOM 0 HB ILE A 55 17.459 -16.514 -14.905 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.807 -17.549 -16.513 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.557 -17.248 -15.322 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.982 -19.032 -15.271 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.582 -18.697 -13.629 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.844 -18.964 -13.905 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.535 -15.530 -17.070 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.957 -14.806 -15.500 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.227 -15.111 -16.709 1.00 0.00 H new ATOM 936 N PHE A 56 17.348 -17.332 -11.279 1.00 0.00 N ATOM 937 CA PHE A 56 18.296 -17.479 -10.179 1.00 0.00 C ATOM 938 C PHE A 56 19.006 -18.831 -10.253 1.00 0.00 C ATOM 939 O PHE A 56 18.630 -19.709 -11.035 1.00 0.00 O ATOM 940 CB PHE A 56 17.539 -17.306 -8.851 1.00 0.00 C ATOM 941 CG PHE A 56 17.711 -15.930 -8.246 1.00 0.00 C ATOM 942 CD1 PHE A 56 16.828 -14.886 -8.570 1.00 0.00 C ATOM 943 CD2 PHE A 56 18.788 -15.692 -7.373 1.00 0.00 C ATOM 944 CE1 PHE A 56 17.027 -13.608 -8.018 1.00 0.00 C ATOM 945 CE2 PHE A 56 18.997 -14.412 -6.838 1.00 0.00 C ATOM 946 CZ PHE A 56 18.116 -13.371 -7.161 1.00 0.00 C ATOM 0 H PHE A 56 16.605 -18.030 -11.252 1.00 0.00 H new ATOM 0 HA PHE A 56 19.069 -16.713 -10.249 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.478 -17.494 -9.017 1.00 0.00 H new ATOM 0 HB3 PHE A 56 17.888 -18.055 -8.140 1.00 0.00 H new ATOM 0 HD1 PHE A 56 16.000 -15.064 -9.240 1.00 0.00 H new ATOM 0 HD2 PHE A 56 19.457 -16.499 -7.113 1.00 0.00 H new ATOM 0 HE1 PHE A 56 16.342 -12.807 -8.253 1.00 0.00 H new ATOM 0 HE2 PHE A 56 19.834 -14.230 -6.180 1.00 0.00 H new ATOM 0 HZ PHE A 56 18.274 -12.385 -6.751 1.00 0.00 H new ATOM 956 N LYS A 57 20.041 -19.000 -9.424 1.00 0.00 N ATOM 957 CA LYS A 57 20.825 -20.227 -9.320 1.00 0.00 C ATOM 958 C LYS A 57 19.953 -21.466 -9.096 1.00 0.00 C ATOM 959 O LYS A 57 20.173 -22.485 -9.750 1.00 0.00 O ATOM 960 CB LYS A 57 21.819 -20.034 -8.165 1.00 0.00 C ATOM 961 CG LYS A 57 22.754 -21.231 -7.929 1.00 0.00 C ATOM 962 CD LYS A 57 23.738 -20.979 -6.775 1.00 0.00 C ATOM 963 CE LYS A 57 23.013 -20.754 -5.437 1.00 0.00 C ATOM 964 NZ LYS A 57 23.959 -20.644 -4.297 1.00 0.00 N ATOM 0 H LYS A 57 20.362 -18.266 -8.792 1.00 0.00 H new ATOM 0 HA LYS A 57 21.347 -20.406 -10.260 1.00 0.00 H new ATOM 0 HB2 LYS A 57 22.424 -19.150 -8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 57 21.261 -19.838 -7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 57 22.159 -22.117 -7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 57 23.312 -21.440 -8.842 1.00 0.00 H new ATOM 0 HD2 LYS A 57 24.414 -21.829 -6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 57 24.352 -20.108 -7.006 1.00 0.00 H new ATOM 0 HE2 LYS A 57 22.414 -19.845 -5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 57 22.323 -21.579 -5.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 23.426 -20.493 -3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 24.513 -21.521 -4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 24.601 -19.841 -4.455 1.00 0.00 H new ATOM 978 N GLU A 58 18.987 -21.398 -8.180 1.00 0.00 N ATOM 979 CA GLU A 58 18.193 -22.542 -7.738 1.00 0.00 C ATOM 980 C GLU A 58 16.868 -22.018 -7.176 1.00 0.00 C ATOM 981 O GLU A 58 16.765 -20.834 -6.848 1.00 0.00 O ATOM 982 CB GLU A 58 18.982 -23.329 -6.665 1.00 0.00 C ATOM 983 CG GLU A 58 19.195 -24.807 -7.025 1.00 0.00 C ATOM 984 CD GLU A 58 17.908 -25.642 -6.915 1.00 0.00 C ATOM 985 OE1 GLU A 58 16.969 -25.409 -7.707 1.00 0.00 O ATOM 986 OE2 GLU A 58 17.834 -26.534 -6.039 1.00 0.00 O ATOM 0 H GLU A 58 18.730 -20.527 -7.715 1.00 0.00 H new ATOM 0 HA GLU A 58 17.987 -23.217 -8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.953 -22.855 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.450 -23.267 -5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 58 19.581 -24.876 -8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 58 19.954 -25.230 -6.367 1.00 0.00 H new ATOM 993 N ILE A 59 15.861 -22.883 -7.040 1.00 0.00 N ATOM 994 CA ILE A 59 14.530 -22.497 -6.562 1.00 0.00 C ATOM 995 C ILE A 59 14.564 -21.971 -5.119 1.00 0.00 C ATOM 996 O ILE A 59 13.809 -21.060 -4.778 1.00 0.00 O ATOM 997 CB ILE A 59 13.516 -23.655 -6.746 1.00 0.00 C ATOM 998 CG1 ILE A 59 13.737 -24.835 -5.769 1.00 0.00 C ATOM 999 CG2 ILE A 59 13.506 -24.142 -8.206 1.00 0.00 C ATOM 1000 CD1 ILE A 59 12.753 -25.999 -5.948 1.00 0.00 C ATOM 0 H ILE A 59 15.945 -23.876 -7.259 1.00 0.00 H new ATOM 0 HA ILE A 59 14.187 -21.666 -7.178 1.00 0.00 H new ATOM 0 HB ILE A 59 12.537 -23.244 -6.500 1.00 0.00 H new ATOM 0 HG12 ILE A 59 14.752 -25.211 -5.896 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.660 -24.464 -4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.788 -24.955 -8.314 1.00 0.00 H new ATOM 0 HG22 ILE A 59 13.223 -23.319 -8.862 1.00 0.00 H new ATOM 0 HG23 ILE A 59 14.500 -24.498 -8.478 1.00 0.00 H new ATOM 0 HD11 ILE A 59 12.980 -26.782 -5.224 1.00 0.00 H new ATOM 0 HD12 ILE A 59 11.735 -25.642 -5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 59 12.844 -26.401 -6.957 1.00 0.00 H new ATOM 1012 N GLY A 60 15.455 -22.498 -4.272 1.00 0.00 N ATOM 1013 CA GLY A 60 15.610 -22.016 -2.904 1.00 0.00 C ATOM 1014 C GLY A 60 16.284 -20.647 -2.895 1.00 0.00 C ATOM 1015 O GLY A 60 15.883 -19.761 -2.141 1.00 0.00 O ATOM 0 H GLY A 60 16.082 -23.264 -4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.635 -21.951 -2.422 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.204 -22.725 -2.327 1.00 0.00 H new ATOM 1019 N SER A 61 17.260 -20.444 -3.780 1.00 0.00 N ATOM 1020 CA SER A 61 17.966 -19.180 -3.934 1.00 0.00 C ATOM 1021 C SER A 61 16.994 -18.102 -4.424 1.00 0.00 C ATOM 1022 O SER A 61 16.956 -16.999 -3.877 1.00 0.00 O ATOM 1023 CB SER A 61 19.126 -19.375 -4.923 1.00 0.00 C ATOM 1024 OG SER A 61 19.740 -20.649 -4.781 1.00 0.00 O ATOM 0 H SER A 61 17.585 -21.169 -4.420 1.00 0.00 H new ATOM 0 HA SER A 61 18.373 -18.855 -2.977 1.00 0.00 H new ATOM 0 HB2 SER A 61 18.756 -19.263 -5.942 1.00 0.00 H new ATOM 0 HB3 SER A 61 19.871 -18.595 -4.767 1.00 0.00 H new ATOM 0 HG SER A 61 20.234 -20.867 -5.599 1.00 0.00 H new ATOM 1030 N ALA A 62 16.156 -18.454 -5.403 1.00 0.00 N ATOM 1031 CA ALA A 62 15.089 -17.612 -5.913 1.00 0.00 C ATOM 1032 C ALA A 62 14.127 -17.229 -4.788 1.00 0.00 C ATOM 1033 O ALA A 62 13.811 -16.052 -4.636 1.00 0.00 O ATOM 1034 CB ALA A 62 14.344 -18.380 -7.006 1.00 0.00 C ATOM 0 H ALA A 62 16.209 -19.359 -5.870 1.00 0.00 H new ATOM 0 HA ALA A 62 15.510 -16.694 -6.324 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.538 -17.761 -7.401 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.036 -18.631 -7.810 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.927 -19.296 -6.587 1.00 0.00 H new ATOM 1040 N SER A 63 13.695 -18.204 -3.981 1.00 0.00 N ATOM 1041 CA SER A 63 12.785 -17.966 -2.865 1.00 0.00 C ATOM 1042 C SER A 63 13.394 -16.985 -1.867 1.00 0.00 C ATOM 1043 O SER A 63 12.728 -16.043 -1.438 1.00 0.00 O ATOM 1044 CB SER A 63 12.441 -19.283 -2.161 1.00 0.00 C ATOM 1045 OG SER A 63 11.902 -20.218 -3.071 1.00 0.00 O ATOM 0 H SER A 63 13.969 -19.181 -4.087 1.00 0.00 H new ATOM 0 HA SER A 63 11.869 -17.530 -3.265 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.337 -19.696 -1.697 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.725 -19.095 -1.360 1.00 0.00 H new ATOM 0 HG SER A 63 12.629 -20.646 -3.570 1.00 0.00 H new ATOM 1051 N ASN A 64 14.666 -17.184 -1.520 1.00 0.00 N ATOM 1052 CA ASN A 64 15.359 -16.337 -0.558 1.00 0.00 C ATOM 1053 C ASN A 64 15.443 -14.901 -1.067 1.00 0.00 C ATOM 1054 O ASN A 64 15.097 -13.971 -0.337 1.00 0.00 O ATOM 1055 CB ASN A 64 16.754 -16.892 -0.257 1.00 0.00 C ATOM 1056 CG ASN A 64 17.440 -16.036 0.802 1.00 0.00 C ATOM 1057 OD1 ASN A 64 17.055 -16.045 1.968 1.00 0.00 O ATOM 1058 ND2 ASN A 64 18.459 -15.284 0.428 1.00 0.00 N ATOM 0 H ASN A 64 15.241 -17.936 -1.899 1.00 0.00 H new ATOM 0 HA ASN A 64 14.788 -16.334 0.370 1.00 0.00 H new ATOM 0 HB2 ASN A 64 16.677 -17.922 0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 64 17.353 -16.907 -1.168 1.00 0.00 H new ATOM 0 HD21 ASN A 64 18.939 -14.699 1.112 1.00 0.00 H new ATOM 0 HD22 ASN A 64 18.766 -15.288 -0.545 1.00 0.00 H new ATOM 1065 N ALA A 65 15.846 -14.724 -2.327 1.00 0.00 N ATOM 1066 CA ALA A 65 15.919 -13.423 -2.973 1.00 0.00 C ATOM 1067 C ALA A 65 14.552 -12.744 -2.978 1.00 0.00 C ATOM 1068 O ALA A 65 14.438 -11.613 -2.511 1.00 0.00 O ATOM 1069 CB ALA A 65 16.445 -13.587 -4.401 1.00 0.00 C ATOM 0 H ALA A 65 16.134 -15.494 -2.931 1.00 0.00 H new ATOM 0 HA ALA A 65 16.605 -12.788 -2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.499 -12.611 -4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 65 17.439 -14.034 -4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.772 -14.233 -4.965 1.00 0.00 H new ATOM 1075 N LEU A 66 13.520 -13.444 -3.457 1.00 0.00 N ATOM 1076 CA LEU A 66 12.148 -12.951 -3.548 1.00 0.00 C ATOM 1077 C LEU A 66 11.703 -12.432 -2.186 1.00 0.00 C ATOM 1078 O LEU A 66 11.339 -11.265 -2.050 1.00 0.00 O ATOM 1079 CB LEU A 66 11.260 -14.110 -4.044 1.00 0.00 C ATOM 1080 CG LEU A 66 9.809 -13.795 -4.452 1.00 0.00 C ATOM 1081 CD1 LEU A 66 9.173 -15.102 -4.940 1.00 0.00 C ATOM 1082 CD2 LEU A 66 8.927 -13.217 -3.341 1.00 0.00 C ATOM 0 H LEU A 66 13.622 -14.398 -3.802 1.00 0.00 H new ATOM 0 HA LEU A 66 12.069 -12.122 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.755 -14.565 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.228 -14.864 -3.258 1.00 0.00 H new ATOM 0 HG LEU A 66 9.864 -13.021 -5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.141 -14.915 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.734 -15.483 -5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.191 -15.838 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.926 -13.031 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.869 -13.927 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.358 -12.281 -2.984 1.00 0.00 H new ATOM 1094 N ARG A 67 11.748 -13.293 -1.168 1.00 0.00 N ATOM 1095 CA ARG A 67 11.173 -12.990 0.136 1.00 0.00 C ATOM 1096 C ARG A 67 11.961 -11.875 0.827 1.00 0.00 C ATOM 1097 O ARG A 67 11.351 -11.039 1.492 1.00 0.00 O ATOM 1098 CB ARG A 67 11.149 -14.268 0.989 1.00 0.00 C ATOM 1099 CG ARG A 67 10.180 -15.325 0.422 1.00 0.00 C ATOM 1100 CD ARG A 67 10.385 -16.672 1.123 1.00 0.00 C ATOM 1101 NE ARG A 67 9.597 -17.747 0.492 1.00 0.00 N ATOM 1102 CZ ARG A 67 9.171 -18.860 1.103 1.00 0.00 C ATOM 1103 NH1 ARG A 67 9.422 -19.101 2.385 1.00 0.00 N ATOM 1104 NH2 ARG A 67 8.456 -19.754 0.442 1.00 0.00 N ATOM 0 H ARG A 67 12.182 -14.214 -1.227 1.00 0.00 H new ATOM 0 HA ARG A 67 10.151 -12.634 0.008 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.153 -14.688 1.040 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.856 -14.018 2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.151 -14.992 0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.342 -15.438 -0.650 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.442 -16.936 1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.102 -16.582 2.172 1.00 0.00 H new ATOM 0 HE ARG A 67 9.356 -17.633 -0.493 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.955 -18.428 2.936 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.082 -19.959 2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.226 -19.598 -0.539 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.135 -20.600 0.913 1.00 0.00 H new ATOM 1118 N THR A 68 13.287 -11.834 0.668 1.00 0.00 N ATOM 1119 CA THR A 68 14.109 -10.808 1.305 1.00 0.00 C ATOM 1120 C THR A 68 13.921 -9.453 0.608 1.00 0.00 C ATOM 1121 O THR A 68 13.800 -8.428 1.281 1.00 0.00 O ATOM 1122 CB THR A 68 15.588 -11.246 1.321 1.00 0.00 C ATOM 1123 OG1 THR A 68 15.709 -12.551 1.850 1.00 0.00 O ATOM 1124 CG2 THR A 68 16.454 -10.320 2.182 1.00 0.00 C ATOM 0 H THR A 68 13.812 -12.501 0.103 1.00 0.00 H new ATOM 0 HA THR A 68 13.787 -10.686 2.339 1.00 0.00 H new ATOM 0 HB THR A 68 15.932 -11.207 0.287 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.416 -13.204 1.180 1.00 0.00 H new ATOM 0 HG21 THR A 68 17.487 -10.667 2.164 1.00 0.00 H new ATOM 0 HG22 THR A 68 16.405 -9.305 1.787 1.00 0.00 H new ATOM 0 HG23 THR A 68 16.087 -10.328 3.208 1.00 0.00 H new ATOM 1132 N MET A 69 13.874 -9.435 -0.728 1.00 0.00 N ATOM 1133 CA MET A 69 13.831 -8.197 -1.503 1.00 0.00 C ATOM 1134 C MET A 69 12.405 -7.657 -1.651 1.00 0.00 C ATOM 1135 O MET A 69 12.233 -6.504 -2.044 1.00 0.00 O ATOM 1136 CB MET A 69 14.506 -8.399 -2.870 1.00 0.00 C ATOM 1137 CG MET A 69 16.002 -8.734 -2.750 1.00 0.00 C ATOM 1138 SD MET A 69 17.005 -7.517 -1.845 1.00 0.00 S ATOM 1139 CE MET A 69 16.952 -6.118 -2.997 1.00 0.00 C ATOM 0 H MET A 69 13.865 -10.280 -1.300 1.00 0.00 H new ATOM 0 HA MET A 69 14.390 -7.440 -0.953 1.00 0.00 H new ATOM 0 HB2 MET A 69 14.000 -9.202 -3.405 1.00 0.00 H new ATOM 0 HB3 MET A 69 14.387 -7.494 -3.466 1.00 0.00 H new ATOM 0 HG2 MET A 69 16.102 -9.701 -2.256 1.00 0.00 H new ATOM 0 HG3 MET A 69 16.414 -8.844 -3.753 1.00 0.00 H new ATOM 0 HE1 MET A 69 17.416 -5.247 -2.534 1.00 0.00 H new ATOM 0 HE2 MET A 69 17.493 -6.376 -3.908 1.00 0.00 H new ATOM 0 HE3 MET A 69 15.915 -5.888 -3.243 1.00 0.00 H new ATOM 1149 N GLN A 70 11.378 -8.444 -1.325 1.00 0.00 N ATOM 1150 CA GLN A 70 10.003 -7.971 -1.230 1.00 0.00 C ATOM 1151 C GLN A 70 9.942 -6.753 -0.299 1.00 0.00 C ATOM 1152 O GLN A 70 10.406 -6.807 0.842 1.00 0.00 O ATOM 1153 CB GLN A 70 9.077 -9.113 -0.756 1.00 0.00 C ATOM 1154 CG GLN A 70 8.102 -9.569 -1.835 1.00 0.00 C ATOM 1155 CD GLN A 70 6.947 -8.594 -2.047 1.00 0.00 C ATOM 1156 OE1 GLN A 70 6.923 -7.468 -1.562 1.00 0.00 O ATOM 1157 NE2 GLN A 70 5.960 -9.016 -2.808 1.00 0.00 N ATOM 0 H GLN A 70 11.483 -9.437 -1.118 1.00 0.00 H new ATOM 0 HA GLN A 70 9.650 -7.658 -2.213 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.685 -9.961 -0.441 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.516 -8.781 0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.641 -9.695 -2.774 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.701 -10.546 -1.565 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.989 -9.954 -3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.166 -8.405 -2.999 1.00 0.00 H new ATOM 1166 N GLY A 71 9.391 -5.647 -0.803 1.00 0.00 N ATOM 1167 CA GLY A 71 9.248 -4.389 -0.083 1.00 0.00 C ATOM 1168 C GLY A 71 10.544 -3.579 0.028 1.00 0.00 C ATOM 1169 O GLY A 71 10.509 -2.480 0.583 1.00 0.00 O ATOM 0 H GLY A 71 9.022 -5.605 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.494 -3.781 -0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.876 -4.597 0.920 1.00 0.00 H new ATOM 1173 N PHE A 72 11.684 -4.080 -0.466 1.00 0.00 N ATOM 1174 CA PHE A 72 12.964 -3.389 -0.338 1.00 0.00 C ATOM 1175 C PHE A 72 12.966 -2.137 -1.229 1.00 0.00 C ATOM 1176 O PHE A 72 12.533 -2.229 -2.382 1.00 0.00 O ATOM 1177 CB PHE A 72 14.109 -4.335 -0.726 1.00 0.00 C ATOM 1178 CG PHE A 72 15.490 -3.746 -0.513 1.00 0.00 C ATOM 1179 CD1 PHE A 72 16.096 -3.806 0.757 1.00 0.00 C ATOM 1180 CD2 PHE A 72 16.163 -3.119 -1.579 1.00 0.00 C ATOM 1181 CE1 PHE A 72 17.366 -3.236 0.959 1.00 0.00 C ATOM 1182 CE2 PHE A 72 17.433 -2.551 -1.376 1.00 0.00 C ATOM 1183 CZ PHE A 72 18.034 -2.607 -0.107 1.00 0.00 C ATOM 0 H PHE A 72 11.740 -4.970 -0.961 1.00 0.00 H new ATOM 0 HA PHE A 72 13.110 -3.080 0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.022 -5.253 -0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.000 -4.611 -1.775 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.585 -4.290 1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.703 -3.074 -2.555 1.00 0.00 H new ATOM 0 HE1 PHE A 72 17.829 -3.281 1.934 1.00 0.00 H new ATOM 0 HE2 PHE A 72 17.947 -2.071 -2.196 1.00 0.00 H new ATOM 0 HZ PHE A 72 19.008 -2.167 0.050 1.00 0.00 H new ATOM 1193 N PRO A 73 13.463 -0.979 -0.759 1.00 0.00 N ATOM 1194 CA PRO A 73 13.641 0.212 -1.582 1.00 0.00 C ATOM 1195 C PRO A 73 14.870 0.048 -2.491 1.00 0.00 C ATOM 1196 O PRO A 73 15.959 0.556 -2.208 1.00 0.00 O ATOM 1197 CB PRO A 73 13.746 1.370 -0.589 1.00 0.00 C ATOM 1198 CG PRO A 73 14.406 0.728 0.630 1.00 0.00 C ATOM 1199 CD PRO A 73 13.855 -0.698 0.618 1.00 0.00 C ATOM 0 HA PRO A 73 12.816 0.395 -2.270 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.346 2.188 -0.987 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.766 1.782 -0.346 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.493 0.740 0.552 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.147 1.252 1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.608 -1.408 0.959 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.002 -0.790 1.291 1.00 0.00 H new ATOM 1207 N PHE A 74 14.698 -0.700 -3.585 1.00 0.00 N ATOM 1208 CA PHE A 74 15.708 -0.894 -4.631 1.00 0.00 C ATOM 1209 C PHE A 74 16.146 0.462 -5.196 1.00 0.00 C ATOM 1210 O PHE A 74 17.331 0.691 -5.433 1.00 0.00 O ATOM 1211 CB PHE A 74 15.077 -1.799 -5.693 1.00 0.00 C ATOM 1212 CG PHE A 74 15.892 -2.172 -6.917 1.00 0.00 C ATOM 1213 CD1 PHE A 74 16.949 -3.093 -6.802 1.00 0.00 C ATOM 1214 CD2 PHE A 74 15.481 -1.742 -8.196 1.00 0.00 C ATOM 1215 CE1 PHE A 74 17.581 -3.597 -7.956 1.00 0.00 C ATOM 1216 CE2 PHE A 74 16.115 -2.240 -9.347 1.00 0.00 C ATOM 1217 CZ PHE A 74 17.152 -3.182 -9.228 1.00 0.00 C ATOM 0 H PHE A 74 13.830 -1.201 -3.773 1.00 0.00 H new ATOM 0 HA PHE A 74 16.611 -1.366 -4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.778 -2.725 -5.202 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.165 -1.313 -6.040 1.00 0.00 H new ATOM 0 HD1 PHE A 74 17.278 -3.415 -5.825 1.00 0.00 H new ATOM 0 HD2 PHE A 74 14.676 -1.028 -8.291 1.00 0.00 H new ATOM 0 HE1 PHE A 74 18.394 -4.302 -7.863 1.00 0.00 H new ATOM 0 HE2 PHE A 74 15.805 -1.899 -10.324 1.00 0.00 H new ATOM 0 HZ PHE A 74 17.619 -3.586 -10.114 1.00 0.00 H new ATOM 1227 N TYR A 75 15.172 1.364 -5.331 1.00 0.00 N ATOM 1228 CA TYR A 75 15.296 2.780 -5.634 1.00 0.00 C ATOM 1229 C TYR A 75 14.158 3.457 -4.857 1.00 0.00 C ATOM 1230 O TYR A 75 13.665 2.891 -3.878 1.00 0.00 O ATOM 1231 CB TYR A 75 15.284 3.001 -7.163 1.00 0.00 C ATOM 1232 CG TYR A 75 16.657 2.844 -7.791 1.00 0.00 C ATOM 1233 CD1 TYR A 75 17.589 3.896 -7.686 1.00 0.00 C ATOM 1234 CD2 TYR A 75 17.019 1.653 -8.449 1.00 0.00 C ATOM 1235 CE1 TYR A 75 18.877 3.762 -8.234 1.00 0.00 C ATOM 1236 CE2 TYR A 75 18.310 1.507 -8.991 1.00 0.00 C ATOM 1237 CZ TYR A 75 19.245 2.563 -8.889 1.00 0.00 C ATOM 1238 OH TYR A 75 20.489 2.423 -9.426 1.00 0.00 O ATOM 0 H TYR A 75 14.195 1.093 -5.220 1.00 0.00 H new ATOM 0 HA TYR A 75 16.242 3.223 -5.322 1.00 0.00 H new ATOM 0 HB2 TYR A 75 14.596 2.291 -7.623 1.00 0.00 H new ATOM 0 HB3 TYR A 75 14.903 3.999 -7.378 1.00 0.00 H new ATOM 0 HD1 TYR A 75 17.312 4.810 -7.182 1.00 0.00 H new ATOM 0 HD2 TYR A 75 16.304 0.849 -8.538 1.00 0.00 H new ATOM 0 HE1 TYR A 75 19.585 4.574 -8.155 1.00 0.00 H new ATOM 0 HE2 TYR A 75 18.587 0.587 -9.485 1.00 0.00 H new ATOM 0 HH TYR A 75 20.570 1.537 -9.836 1.00 0.00 H new ATOM 1248 N ASP A 76 13.720 4.650 -5.265 1.00 0.00 N ATOM 1249 CA ASP A 76 12.654 5.432 -4.621 1.00 0.00 C ATOM 1250 C ASP A 76 11.252 4.785 -4.720 1.00 0.00 C ATOM 1251 O ASP A 76 10.233 5.469 -4.607 1.00 0.00 O ATOM 1252 CB ASP A 76 12.676 6.859 -5.197 1.00 0.00 C ATOM 1253 CG ASP A 76 11.806 7.850 -4.400 1.00 0.00 C ATOM 1254 OD1 ASP A 76 11.937 7.923 -3.156 1.00 0.00 O ATOM 1255 OD2 ASP A 76 11.037 8.620 -5.020 1.00 0.00 O ATOM 0 H ASP A 76 14.110 5.118 -6.083 1.00 0.00 H new ATOM 0 HA ASP A 76 12.858 5.460 -3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.704 7.221 -5.214 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.330 6.832 -6.230 1.00 0.00 H new ATOM 1260 N LYS A 77 11.168 3.466 -4.941 1.00 0.00 N ATOM 1261 CA LYS A 77 9.941 2.680 -4.879 1.00 0.00 C ATOM 1262 C LYS A 77 10.258 1.359 -4.174 1.00 0.00 C ATOM 1263 O LYS A 77 11.303 0.769 -4.467 1.00 0.00 O ATOM 1264 CB LYS A 77 9.388 2.386 -6.286 1.00 0.00 C ATOM 1265 CG LYS A 77 8.858 3.630 -7.013 1.00 0.00 C ATOM 1266 CD LYS A 77 8.108 3.225 -8.292 1.00 0.00 C ATOM 1267 CE LYS A 77 7.671 4.438 -9.132 1.00 0.00 C ATOM 1268 NZ LYS A 77 6.623 5.258 -8.470 1.00 0.00 N ATOM 0 H LYS A 77 11.985 2.903 -5.176 1.00 0.00 H new ATOM 0 HA LYS A 77 9.184 3.245 -4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.175 1.932 -6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.585 1.653 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.192 4.188 -6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.686 4.293 -7.264 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.748 2.582 -8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.229 2.639 -8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.540 5.064 -9.335 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.297 4.090 -10.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.370 6.059 -9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.780 4.673 -8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.984 5.617 -7.563 1.00 0.00 H new ATOM 1282 N PRO A 78 9.386 0.870 -3.274 1.00 0.00 N ATOM 1283 CA PRO A 78 9.524 -0.460 -2.705 1.00 0.00 C ATOM 1284 C PRO A 78 9.227 -1.495 -3.792 1.00 0.00 C ATOM 1285 O PRO A 78 8.224 -1.390 -4.505 1.00 0.00 O ATOM 1286 CB PRO A 78 8.519 -0.521 -1.552 1.00 0.00 C ATOM 1287 CG PRO A 78 7.423 0.458 -1.975 1.00 0.00 C ATOM 1288 CD PRO A 78 8.179 1.518 -2.776 1.00 0.00 C ATOM 0 HA PRO A 78 10.527 -0.671 -2.335 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.126 -1.528 -1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.975 -0.227 -0.607 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.659 -0.032 -2.579 1.00 0.00 H new ATOM 0 HG3 PRO A 78 6.918 0.892 -1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 78 7.570 1.891 -3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 78 8.428 2.375 -2.150 1.00 0.00 H new ATOM 1296 N MET A 79 10.088 -2.502 -3.914 1.00 0.00 N ATOM 1297 CA MET A 79 9.891 -3.607 -4.844 1.00 0.00 C ATOM 1298 C MET A 79 8.654 -4.406 -4.449 1.00 0.00 C ATOM 1299 O MET A 79 8.353 -4.553 -3.262 1.00 0.00 O ATOM 1300 CB MET A 79 11.114 -4.533 -4.811 1.00 0.00 C ATOM 1301 CG MET A 79 12.371 -3.844 -5.336 1.00 0.00 C ATOM 1302 SD MET A 79 12.381 -3.540 -7.126 1.00 0.00 S ATOM 1303 CE MET A 79 13.675 -4.714 -7.606 1.00 0.00 C ATOM 0 H MET A 79 10.946 -2.573 -3.367 1.00 0.00 H new ATOM 0 HA MET A 79 9.759 -3.203 -5.848 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.286 -4.869 -3.789 1.00 0.00 H new ATOM 0 HB3 MET A 79 10.912 -5.421 -5.409 1.00 0.00 H new ATOM 0 HG2 MET A 79 12.489 -2.892 -4.819 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.237 -4.455 -5.080 1.00 0.00 H new ATOM 0 HE1 MET A 79 14.037 -4.468 -8.604 1.00 0.00 H new ATOM 0 HE2 MET A 79 14.500 -4.656 -6.896 1.00 0.00 H new ATOM 0 HE3 MET A 79 13.267 -5.725 -7.606 1.00 0.00 H new ATOM 1313 N GLN A 80 7.994 -5.004 -5.435 1.00 0.00 N ATOM 1314 CA GLN A 80 6.927 -5.977 -5.242 1.00 0.00 C ATOM 1315 C GLN A 80 7.371 -7.182 -6.061 1.00 0.00 C ATOM 1316 O GLN A 80 7.831 -7.006 -7.189 1.00 0.00 O ATOM 1317 CB GLN A 80 5.584 -5.396 -5.715 1.00 0.00 C ATOM 1318 CG GLN A 80 5.121 -4.217 -4.840 1.00 0.00 C ATOM 1319 CD GLN A 80 3.806 -3.591 -5.316 1.00 0.00 C ATOM 1320 OE1 GLN A 80 2.955 -4.236 -5.924 1.00 0.00 O ATOM 1321 NE2 GLN A 80 3.607 -2.307 -5.057 1.00 0.00 N ATOM 0 H GLN A 80 8.193 -4.819 -6.418 1.00 0.00 H new ATOM 0 HA GLN A 80 6.766 -6.249 -4.199 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.677 -5.064 -6.749 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.825 -6.179 -5.699 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.001 -4.561 -3.813 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.898 -3.452 -4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.314 -1.773 -4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.746 -1.853 -5.362 1.00 0.00 H new ATOM 1330 N ILE A 81 7.325 -8.390 -5.499 1.00 0.00 N ATOM 1331 CA ILE A 81 7.933 -9.560 -6.128 1.00 0.00 C ATOM 1332 C ILE A 81 7.058 -10.782 -5.858 1.00 0.00 C ATOM 1333 O ILE A 81 6.492 -10.925 -4.770 1.00 0.00 O ATOM 1334 CB ILE A 81 9.393 -9.793 -5.647 1.00 0.00 C ATOM 1335 CG1 ILE A 81 10.188 -8.492 -5.363 1.00 0.00 C ATOM 1336 CG2 ILE A 81 10.142 -10.649 -6.688 1.00 0.00 C ATOM 1337 CD1 ILE A 81 11.645 -8.698 -4.942 1.00 0.00 C ATOM 0 H ILE A 81 6.871 -8.583 -4.606 1.00 0.00 H new ATOM 0 HA ILE A 81 7.992 -9.385 -7.202 1.00 0.00 H new ATOM 0 HB ILE A 81 9.322 -10.311 -4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.170 -7.871 -6.259 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.675 -7.935 -4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.166 -10.814 -6.354 1.00 0.00 H new ATOM 0 HG22 ILE A 81 9.638 -11.609 -6.801 1.00 0.00 H new ATOM 0 HG23 ILE A 81 10.152 -10.130 -7.646 1.00 0.00 H new ATOM 0 HD11 ILE A 81 12.114 -7.730 -4.767 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.679 -9.288 -4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 81 12.181 -9.223 -5.732 1.00 0.00 H new ATOM 1349 N ALA A 82 6.993 -11.676 -6.838 1.00 0.00 N ATOM 1350 CA ALA A 82 6.320 -12.967 -6.783 1.00 0.00 C ATOM 1351 C ALA A 82 7.150 -13.973 -7.586 1.00 0.00 C ATOM 1352 O ALA A 82 8.147 -13.597 -8.205 1.00 0.00 O ATOM 1353 CB ALA A 82 4.904 -12.827 -7.358 1.00 0.00 C ATOM 0 H ALA A 82 7.434 -11.509 -7.743 1.00 0.00 H new ATOM 0 HA ALA A 82 6.231 -13.319 -5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.398 -13.792 -7.318 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.344 -12.099 -6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.963 -12.491 -8.393 1.00 0.00 H new ATOM 1359 N TYR A 83 6.770 -15.251 -7.580 1.00 0.00 N ATOM 1360 CA TYR A 83 7.365 -16.229 -8.485 1.00 0.00 C ATOM 1361 C TYR A 83 6.791 -15.993 -9.886 1.00 0.00 C ATOM 1362 O TYR A 83 5.663 -15.505 -10.019 1.00 0.00 O ATOM 1363 CB TYR A 83 7.127 -17.658 -7.979 1.00 0.00 C ATOM 1364 CG TYR A 83 5.687 -18.063 -7.701 1.00 0.00 C ATOM 1365 CD1 TYR A 83 5.087 -17.739 -6.468 1.00 0.00 C ATOM 1366 CD2 TYR A 83 4.965 -18.809 -8.654 1.00 0.00 C ATOM 1367 CE1 TYR A 83 3.767 -18.140 -6.192 1.00 0.00 C ATOM 1368 CE2 TYR A 83 3.654 -19.236 -8.376 1.00 0.00 C ATOM 1369 CZ TYR A 83 3.048 -18.899 -7.143 1.00 0.00 C ATOM 1370 OH TYR A 83 1.771 -19.286 -6.863 1.00 0.00 O ATOM 0 H TYR A 83 6.055 -15.630 -6.960 1.00 0.00 H new ATOM 0 HA TYR A 83 8.447 -16.105 -8.526 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.537 -18.350 -8.714 1.00 0.00 H new ATOM 0 HB3 TYR A 83 7.699 -17.792 -7.061 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.644 -17.180 -5.731 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.420 -19.054 -9.602 1.00 0.00 H new ATOM 0 HE1 TYR A 83 3.304 -17.868 -5.255 1.00 0.00 H new ATOM 0 HE2 TYR A 83 3.110 -19.821 -9.103 1.00 0.00 H new ATOM 0 HH TYR A 83 1.412 -19.800 -7.617 1.00 0.00 H new