USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=14 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 26 SER OG : rot 75:sc= 2.21 USER MOD Set 1.2: A 75 TYR OH : rot -167:sc= 1.24 USER MOD Single : A 6 ASN : amide:sc= 0.658 K(o=0.66,f=-3.4!) USER MOD Single : A 7 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.0103 X(o=0.01,f=-0.031) USER MOD Single : A 13 ASN : amide:sc= 0.901 K(o=0.9,f=-0.48) USER MOD Single : A 15 ASN : amide:sc= 0.822 K(o=0.82,f=-5.9!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= 1.25 (180deg=1.15) 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 32 SER OG : rot 180:sc= 0.0194 USER MOD Single : A 33 GLN : amide:sc= -0.0382 X(o=-0.038,f=-0.038) USER MOD Single : A 36 GLN : amide:sc= 0.931 K(o=0.93,f=-0.16) USER MOD Single : A 51 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.95) 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 75:sc= 1.12 USER MOD Single : A 64 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 68 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 69 MET CE :methyl 171:sc= -0.957 (180deg=-1.25) USER MOD Single : A 70 GLN : amide:sc= 1.12 K(o=1.1,f=-6.3!) USER MOD Single : A 77 LYS NZ :NH3+ 173:sc= 1.21 (180deg=1.18) USER MOD Single : A 79 MET CE :methyl -168:sc= -0.185 (180deg=-0.76) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 5 8.739 -22.013 -4.625 1.00 0.00 N ATOM 72 CA PRO A 5 10.001 -22.248 -5.318 1.00 0.00 C ATOM 73 C PRO A 5 9.871 -22.519 -6.822 1.00 0.00 C ATOM 74 O PRO A 5 9.165 -23.433 -7.255 1.00 0.00 O ATOM 75 CB PRO A 5 10.666 -23.417 -4.583 1.00 0.00 C ATOM 76 CG PRO A 5 10.113 -23.304 -3.169 1.00 0.00 C ATOM 77 CD PRO A 5 8.690 -22.801 -3.399 1.00 0.00 C ATOM 0 HA PRO A 5 10.603 -21.340 -5.288 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.413 -24.374 -5.038 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.753 -23.335 -4.597 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.124 -24.264 -2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.694 -22.609 -2.562 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.993 -23.633 -3.497 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.349 -22.196 -2.559 1.00 0.00 H new ATOM 85 N ASN A 6 10.613 -21.735 -7.605 1.00 0.00 N ATOM 86 CA ASN A 6 10.884 -21.865 -9.037 1.00 0.00 C ATOM 87 C ASN A 6 12.129 -21.004 -9.279 1.00 0.00 C ATOM 88 O ASN A 6 12.355 -20.062 -8.519 1.00 0.00 O ATOM 89 CB ASN A 6 9.718 -21.345 -9.894 1.00 0.00 C ATOM 90 CG ASN A 6 10.053 -21.426 -11.382 1.00 0.00 C ATOM 91 OD1 ASN A 6 10.448 -20.443 -11.996 1.00 0.00 O ATOM 92 ND2 ASN A 6 9.972 -22.602 -11.984 1.00 0.00 N ATOM 0 H ASN A 6 11.083 -20.917 -7.217 1.00 0.00 H new ATOM 0 HA ASN A 6 11.023 -22.910 -9.315 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.821 -21.929 -9.687 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.495 -20.313 -9.623 1.00 0.00 H new ATOM 0 HD21 ASN A 6 10.239 -22.693 -12.964 1.00 0.00 H new ATOM 0 HD22 ASN A 6 9.642 -23.418 -11.468 1.00 0.00 H new ATOM 99 N GLN A 7 12.952 -21.296 -10.293 1.00 0.00 N ATOM 100 CA GLN A 7 14.176 -20.523 -10.522 1.00 0.00 C ATOM 101 C GLN A 7 13.888 -19.066 -10.911 1.00 0.00 C ATOM 102 O GLN A 7 14.785 -18.237 -10.775 1.00 0.00 O ATOM 103 CB GLN A 7 15.063 -21.180 -11.594 1.00 0.00 C ATOM 104 CG GLN A 7 15.760 -22.452 -11.094 1.00 0.00 C ATOM 105 CD GLN A 7 16.773 -22.972 -12.117 1.00 0.00 C ATOM 106 OE1 GLN A 7 16.546 -23.979 -12.785 1.00 0.00 O ATOM 107 NE2 GLN A 7 17.904 -22.302 -12.273 1.00 0.00 N ATOM 0 H GLN A 7 12.795 -22.052 -10.960 1.00 0.00 H new ATOM 0 HA GLN A 7 14.710 -20.517 -9.572 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.453 -21.424 -12.464 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.816 -20.464 -11.924 1.00 0.00 H new ATOM 0 HG2 GLN A 7 16.266 -22.245 -10.151 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.015 -23.222 -10.893 1.00 0.00 H new ATOM 0 HE21 GLN A 7 18.084 -21.468 -11.714 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.596 -22.620 -12.952 1.00 0.00 H new ATOM 116 N THR A 8 12.688 -18.741 -11.393 1.00 0.00 N ATOM 117 CA THR A 8 12.364 -17.429 -11.930 1.00 0.00 C ATOM 118 C THR A 8 11.491 -16.671 -10.928 1.00 0.00 C ATOM 119 O THR A 8 10.605 -17.250 -10.288 1.00 0.00 O ATOM 120 CB THR A 8 11.674 -17.597 -13.294 1.00 0.00 C ATOM 121 OG1 THR A 8 12.398 -18.507 -14.102 1.00 0.00 O ATOM 122 CG2 THR A 8 11.560 -16.266 -14.050 1.00 0.00 C ATOM 0 H THR A 8 11.906 -19.395 -11.419 1.00 0.00 H new ATOM 0 HA THR A 8 13.269 -16.842 -12.086 1.00 0.00 H new ATOM 0 HB THR A 8 10.671 -17.975 -13.095 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.948 -18.607 -14.967 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.066 -16.433 -15.008 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.976 -15.561 -13.459 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.556 -15.858 -14.221 1.00 0.00 H new ATOM 130 N ILE A 9 11.728 -15.363 -10.821 1.00 0.00 N ATOM 131 CA ILE A 9 10.969 -14.432 -9.999 1.00 0.00 C ATOM 132 C ILE A 9 10.634 -13.208 -10.869 1.00 0.00 C ATOM 133 O ILE A 9 11.269 -12.980 -11.906 1.00 0.00 O ATOM 134 CB ILE A 9 11.735 -14.091 -8.687 1.00 0.00 C ATOM 135 CG1 ILE A 9 12.930 -13.141 -8.910 1.00 0.00 C ATOM 136 CG2 ILE A 9 12.221 -15.369 -7.966 1.00 0.00 C ATOM 137 CD1 ILE A 9 13.580 -12.614 -7.623 1.00 0.00 C ATOM 0 H ILE A 9 12.487 -14.909 -11.328 1.00 0.00 H new ATOM 0 HA ILE A 9 10.032 -14.874 -9.660 1.00 0.00 H new ATOM 0 HB ILE A 9 11.013 -13.571 -8.057 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.687 -13.663 -9.496 1.00 0.00 H new ATOM 0 HG13 ILE A 9 12.595 -12.292 -9.506 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.751 -15.093 -7.055 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.363 -15.992 -7.712 1.00 0.00 H new ATOM 0 HG23 ILE A 9 12.891 -15.924 -8.622 1.00 0.00 H new ATOM 0 HD11 ILE A 9 14.410 -11.955 -7.878 1.00 0.00 H new ATOM 0 HD12 ILE A 9 12.842 -12.060 -7.043 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.950 -13.452 -7.033 1.00 0.00 H new ATOM 149 N TYR A 10 9.672 -12.404 -10.424 1.00 0.00 N ATOM 150 CA TYR A 10 9.118 -11.257 -11.130 1.00 0.00 C ATOM 151 C TYR A 10 9.169 -10.068 -10.189 1.00 0.00 C ATOM 152 O TYR A 10 8.853 -10.208 -9.010 1.00 0.00 O ATOM 153 CB TYR A 10 7.671 -11.560 -11.536 1.00 0.00 C ATOM 154 CG TYR A 10 6.898 -10.367 -12.072 1.00 0.00 C ATOM 155 CD1 TYR A 10 7.236 -9.809 -13.319 1.00 0.00 C ATOM 156 CD2 TYR A 10 5.836 -9.820 -11.326 1.00 0.00 C ATOM 157 CE1 TYR A 10 6.498 -8.732 -13.841 1.00 0.00 C ATOM 158 CE2 TYR A 10 5.095 -8.739 -11.837 1.00 0.00 C ATOM 159 CZ TYR A 10 5.419 -8.195 -13.101 1.00 0.00 C ATOM 160 OH TYR A 10 4.673 -7.166 -13.595 1.00 0.00 O ATOM 0 H TYR A 10 9.236 -12.544 -9.513 1.00 0.00 H new ATOM 0 HA TYR A 10 9.688 -11.040 -12.034 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.677 -12.342 -12.295 1.00 0.00 H new ATOM 0 HB3 TYR A 10 7.142 -11.960 -10.671 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.068 -10.211 -13.879 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.590 -10.232 -10.358 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.754 -8.316 -14.804 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.279 -8.325 -11.264 1.00 0.00 H new ATOM 0 HH TYR A 10 3.975 -6.929 -12.950 1.00 0.00 H new ATOM 170 N ILE A 11 9.547 -8.905 -10.712 1.00 0.00 N ATOM 171 CA ILE A 11 9.760 -7.669 -9.977 1.00 0.00 C ATOM 172 C ILE A 11 8.961 -6.608 -10.727 1.00 0.00 C ATOM 173 O ILE A 11 8.961 -6.581 -11.956 1.00 0.00 O ATOM 174 CB ILE A 11 11.271 -7.325 -9.943 1.00 0.00 C ATOM 175 CG1 ILE A 11 12.098 -8.408 -9.213 1.00 0.00 C ATOM 176 CG2 ILE A 11 11.516 -5.950 -9.290 1.00 0.00 C ATOM 177 CD1 ILE A 11 13.612 -8.252 -9.372 1.00 0.00 C ATOM 0 H ILE A 11 9.721 -8.797 -11.711 1.00 0.00 H new ATOM 0 HA ILE A 11 9.436 -7.741 -8.939 1.00 0.00 H new ATOM 0 HB ILE A 11 11.604 -7.289 -10.980 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.851 -8.385 -8.152 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.803 -9.388 -9.587 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.585 -5.737 -9.281 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.997 -5.179 -9.860 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.139 -5.961 -8.267 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.119 -9.051 -8.830 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.874 -8.307 -10.429 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.923 -7.287 -8.971 1.00 0.00 H new ATOM 189 N ASN A 12 8.312 -5.711 -9.996 1.00 0.00 N ATOM 190 CA ASN A 12 7.611 -4.544 -10.509 1.00 0.00 C ATOM 191 C ASN A 12 7.677 -3.437 -9.453 1.00 0.00 C ATOM 192 O ASN A 12 8.250 -3.629 -8.375 1.00 0.00 O ATOM 193 CB ASN A 12 6.170 -4.904 -10.916 1.00 0.00 C ATOM 194 CG ASN A 12 5.289 -5.308 -9.740 1.00 0.00 C ATOM 195 OD1 ASN A 12 4.538 -4.497 -9.210 1.00 0.00 O ATOM 196 ND2 ASN A 12 5.348 -6.567 -9.329 1.00 0.00 N ATOM 0 H ASN A 12 8.258 -5.782 -8.980 1.00 0.00 H new ATOM 0 HA ASN A 12 8.090 -4.179 -11.417 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.719 -4.049 -11.421 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.198 -5.721 -11.637 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.760 -6.879 -8.556 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.981 -7.224 -9.786 1.00 0.00 H new ATOM 203 N ASN A 13 7.110 -2.268 -9.770 1.00 0.00 N ATOM 204 CA ASN A 13 7.254 -1.032 -8.993 1.00 0.00 C ATOM 205 C ASN A 13 8.725 -0.593 -8.889 1.00 0.00 C ATOM 206 O ASN A 13 9.136 0.010 -7.897 1.00 0.00 O ATOM 207 CB ASN A 13 6.539 -1.130 -7.632 1.00 0.00 C ATOM 208 CG ASN A 13 6.323 0.248 -7.005 1.00 0.00 C ATOM 209 OD1 ASN A 13 5.788 1.154 -7.640 1.00 0.00 O ATOM 210 ND2 ASN A 13 6.683 0.436 -5.745 1.00 0.00 N ATOM 0 H ASN A 13 6.523 -2.152 -10.596 1.00 0.00 H new ATOM 0 HA ASN A 13 6.748 -0.233 -9.535 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.577 -1.626 -7.761 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.128 -1.749 -6.955 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.517 1.337 -5.296 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.127 -0.320 -5.223 1.00 0.00 H new ATOM 217 N LEU A 14 9.534 -0.917 -9.910 1.00 0.00 N ATOM 218 CA LEU A 14 10.886 -0.379 -10.050 1.00 0.00 C ATOM 219 C LEU A 14 10.781 1.138 -10.197 1.00 0.00 C ATOM 220 O LEU A 14 9.827 1.640 -10.800 1.00 0.00 O ATOM 221 CB LEU A 14 11.587 -0.989 -11.281 1.00 0.00 C ATOM 222 CG LEU A 14 12.290 -2.331 -10.994 1.00 0.00 C ATOM 223 CD1 LEU A 14 12.410 -3.162 -12.277 1.00 0.00 C ATOM 224 CD2 LEU A 14 13.677 -2.097 -10.394 1.00 0.00 C ATOM 0 H LEU A 14 9.265 -1.558 -10.657 1.00 0.00 H new ATOM 0 HA LEU A 14 11.479 -0.632 -9.171 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.851 -1.137 -12.071 1.00 0.00 H new ATOM 0 HB3 LEU A 14 12.322 -0.278 -11.659 1.00 0.00 H new ATOM 0 HG LEU A 14 11.685 -2.881 -10.273 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.909 -4.105 -12.054 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.415 -3.363 -12.675 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.991 -2.610 -13.015 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.156 -3.057 -10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 14 14.285 -1.524 -11.095 1.00 0.00 H new ATOM 0 HD23 LEU A 14 13.581 -1.543 -9.460 1.00 0.00 H new ATOM 236 N ASN A 15 11.768 1.865 -9.668 1.00 0.00 N ATOM 237 CA ASN A 15 11.837 3.309 -9.845 1.00 0.00 C ATOM 238 C ASN A 15 12.104 3.588 -11.321 1.00 0.00 C ATOM 239 O ASN A 15 13.167 3.242 -11.832 1.00 0.00 O ATOM 240 CB ASN A 15 12.923 3.936 -8.958 1.00 0.00 C ATOM 241 CG ASN A 15 12.846 5.464 -8.962 1.00 0.00 C ATOM 242 OD1 ASN A 15 12.459 6.091 -9.943 1.00 0.00 O ATOM 243 ND2 ASN A 15 13.192 6.097 -7.854 1.00 0.00 N ATOM 0 H ASN A 15 12.529 1.473 -9.114 1.00 0.00 H new ATOM 0 HA ASN A 15 10.893 3.762 -9.541 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.816 3.569 -7.937 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.906 3.620 -9.308 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.138 7.115 -7.810 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.513 5.568 -7.043 1.00 0.00 H new ATOM 250 N GLU A 16 11.138 4.200 -12.002 1.00 0.00 N ATOM 251 CA GLU A 16 11.163 4.462 -13.437 1.00 0.00 C ATOM 252 C GLU A 16 12.438 5.193 -13.899 1.00 0.00 C ATOM 253 O GLU A 16 12.856 5.009 -15.044 1.00 0.00 O ATOM 254 CB GLU A 16 9.884 5.235 -13.806 1.00 0.00 C ATOM 255 CG GLU A 16 9.652 5.350 -15.318 1.00 0.00 C ATOM 256 CD GLU A 16 8.308 6.030 -15.633 1.00 0.00 C ATOM 257 OE1 GLU A 16 8.263 7.277 -15.748 1.00 0.00 O ATOM 258 OE2 GLU A 16 7.283 5.327 -15.784 1.00 0.00 O ATOM 0 H GLU A 16 10.287 4.539 -11.553 1.00 0.00 H new ATOM 0 HA GLU A 16 11.187 3.510 -13.967 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.026 4.740 -13.352 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.938 6.236 -13.378 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.464 5.920 -15.769 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.672 4.357 -15.767 1.00 0.00 H new ATOM 265 N LYS A 17 13.095 5.982 -13.037 1.00 0.00 N ATOM 266 CA LYS A 17 14.331 6.681 -13.403 1.00 0.00 C ATOM 267 C LYS A 17 15.475 5.729 -13.779 1.00 0.00 C ATOM 268 O LYS A 17 16.404 6.147 -14.469 1.00 0.00 O ATOM 269 CB LYS A 17 14.735 7.674 -12.295 1.00 0.00 C ATOM 270 CG LYS A 17 15.301 7.054 -11.001 1.00 0.00 C ATOM 271 CD LYS A 17 16.836 7.081 -10.928 1.00 0.00 C ATOM 272 CE LYS A 17 17.313 6.577 -9.555 1.00 0.00 C ATOM 273 NZ LYS A 17 18.786 6.694 -9.398 1.00 0.00 N ATOM 0 H LYS A 17 12.788 6.151 -12.079 1.00 0.00 H new ATOM 0 HA LYS A 17 14.125 7.249 -14.310 1.00 0.00 H new ATOM 0 HB2 LYS A 17 15.480 8.358 -12.702 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.862 8.272 -12.035 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.895 7.590 -10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.960 6.022 -10.923 1.00 0.00 H new ATOM 0 HD2 LYS A 17 17.256 6.458 -11.718 1.00 0.00 H new ATOM 0 HD3 LYS A 17 17.197 8.095 -11.096 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.819 7.147 -8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.017 5.536 -9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 19.064 6.343 -8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 19.259 6.130 -10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 19.067 7.691 -9.492 1.00 0.00 H new ATOM 287 N ILE A 18 15.437 4.479 -13.312 1.00 0.00 N ATOM 288 CA ILE A 18 16.461 3.473 -13.565 1.00 0.00 C ATOM 289 C ILE A 18 16.453 3.122 -15.056 1.00 0.00 C ATOM 290 O ILE A 18 15.425 2.710 -15.603 1.00 0.00 O ATOM 291 CB ILE A 18 16.204 2.268 -12.622 1.00 0.00 C ATOM 292 CG1 ILE A 18 16.417 2.656 -11.138 1.00 0.00 C ATOM 293 CG2 ILE A 18 17.034 1.016 -12.931 1.00 0.00 C ATOM 294 CD1 ILE A 18 17.835 3.131 -10.783 1.00 0.00 C ATOM 0 H ILE A 18 14.672 4.133 -12.733 1.00 0.00 H new ATOM 0 HA ILE A 18 17.465 3.836 -13.344 1.00 0.00 H new ATOM 0 HB ILE A 18 15.162 2.008 -12.806 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.711 3.446 -10.881 1.00 0.00 H new ATOM 0 HG13 ILE A 18 16.173 1.795 -10.515 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.784 0.229 -12.219 1.00 0.00 H new ATOM 0 HG22 ILE A 18 16.814 0.674 -13.942 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.095 1.254 -12.852 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.881 3.379 -9.722 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.550 2.338 -11.002 1.00 0.00 H new ATOM 0 HD13 ILE A 18 18.081 4.014 -11.373 1.00 0.00 H new ATOM 306 N LYS A 19 17.606 3.293 -15.714 1.00 0.00 N ATOM 307 CA LYS A 19 17.844 2.810 -17.074 1.00 0.00 C ATOM 308 C LYS A 19 17.764 1.283 -17.051 1.00 0.00 C ATOM 309 O LYS A 19 18.090 0.663 -16.040 1.00 0.00 O ATOM 310 CB LYS A 19 19.231 3.316 -17.517 1.00 0.00 C ATOM 311 CG LYS A 19 19.595 3.049 -18.987 1.00 0.00 C ATOM 312 CD LYS A 19 21.037 3.505 -19.264 1.00 0.00 C ATOM 313 CE LYS A 19 21.428 3.227 -20.722 1.00 0.00 C ATOM 314 NZ LYS A 19 22.879 3.431 -20.956 1.00 0.00 N ATOM 0 H LYS A 19 18.408 3.777 -15.310 1.00 0.00 H new ATOM 0 HA LYS A 19 17.104 3.178 -17.785 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.281 4.390 -17.338 1.00 0.00 H new ATOM 0 HB3 LYS A 19 19.987 2.852 -16.884 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.492 1.987 -19.208 1.00 0.00 H new ATOM 0 HG3 LYS A 19 18.905 3.580 -19.643 1.00 0.00 H new ATOM 0 HD2 LYS A 19 21.133 4.570 -19.054 1.00 0.00 H new ATOM 0 HD3 LYS A 19 21.722 2.986 -18.594 1.00 0.00 H new ATOM 0 HE2 LYS A 19 21.159 2.203 -20.981 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.859 3.882 -21.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 23.053 3.552 -21.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 23.197 4.280 -20.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 23.406 2.603 -20.611 1.00 0.00 H new ATOM 328 N LYS A 20 17.405 0.634 -18.159 1.00 0.00 N ATOM 329 CA LYS A 20 17.303 -0.831 -18.179 1.00 0.00 C ATOM 330 C LYS A 20 18.643 -1.508 -17.872 1.00 0.00 C ATOM 331 O LYS A 20 18.694 -2.517 -17.174 1.00 0.00 O ATOM 332 CB LYS A 20 16.741 -1.276 -19.540 1.00 0.00 C ATOM 333 CG LYS A 20 15.933 -2.582 -19.470 1.00 0.00 C ATOM 334 CD LYS A 20 14.795 -2.602 -18.430 1.00 0.00 C ATOM 335 CE LYS A 20 13.930 -1.332 -18.369 1.00 0.00 C ATOM 336 NZ LYS A 20 12.830 -1.473 -17.378 1.00 0.00 N ATOM 0 H LYS A 20 17.182 1.089 -19.044 1.00 0.00 H new ATOM 0 HA LYS A 20 16.621 -1.145 -17.389 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.105 -0.485 -19.938 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.566 -1.405 -20.241 1.00 0.00 H new ATOM 0 HG2 LYS A 20 15.507 -2.778 -20.454 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.618 -3.401 -19.250 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.147 -3.452 -18.643 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.230 -2.772 -17.445 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.553 -0.478 -18.104 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.511 -1.128 -19.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.265 -0.600 -17.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.223 -2.274 -17.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.233 -1.644 -16.434 1.00 0.00 H new ATOM 350 N GLU A 21 19.733 -0.908 -18.341 1.00 0.00 N ATOM 351 CA GLU A 21 21.091 -1.329 -18.023 1.00 0.00 C ATOM 352 C GLU A 21 21.377 -1.182 -16.523 1.00 0.00 C ATOM 353 O GLU A 21 22.051 -2.031 -15.943 1.00 0.00 O ATOM 354 CB GLU A 21 22.027 -0.487 -18.896 1.00 0.00 C ATOM 355 CG GLU A 21 23.517 -0.616 -18.551 1.00 0.00 C ATOM 356 CD GLU A 21 24.394 0.138 -19.566 1.00 0.00 C ATOM 357 OE1 GLU A 21 24.257 1.375 -19.694 1.00 0.00 O ATOM 358 OE2 GLU A 21 25.238 -0.501 -20.238 1.00 0.00 O ATOM 0 H GLU A 21 19.695 -0.101 -18.964 1.00 0.00 H new ATOM 0 HA GLU A 21 21.244 -2.387 -18.238 1.00 0.00 H new ATOM 0 HB2 GLU A 21 21.884 -0.772 -19.938 1.00 0.00 H new ATOM 0 HB3 GLU A 21 21.738 0.560 -18.809 1.00 0.00 H new ATOM 0 HG2 GLU A 21 23.696 -0.223 -17.550 1.00 0.00 H new ATOM 0 HG3 GLU A 21 23.799 -1.669 -18.535 1.00 0.00 H new ATOM 365 N GLU A 22 20.844 -0.147 -15.869 1.00 0.00 N ATOM 366 CA GLU A 22 21.011 0.046 -14.432 1.00 0.00 C ATOM 367 C GLU A 22 20.183 -0.975 -13.647 1.00 0.00 C ATOM 368 O GLU A 22 20.646 -1.414 -12.599 1.00 0.00 O ATOM 369 CB GLU A 22 20.642 1.475 -14.019 1.00 0.00 C ATOM 370 CG GLU A 22 21.661 2.517 -14.496 1.00 0.00 C ATOM 371 CD GLU A 22 21.202 3.949 -14.157 1.00 0.00 C ATOM 372 OE1 GLU A 22 20.020 4.291 -14.397 1.00 0.00 O ATOM 373 OE2 GLU A 22 22.033 4.746 -13.661 1.00 0.00 O ATOM 0 H GLU A 22 20.287 0.577 -16.322 1.00 0.00 H new ATOM 0 HA GLU A 22 22.063 -0.111 -14.194 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.661 1.723 -14.424 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.561 1.524 -12.933 1.00 0.00 H new ATOM 0 HG2 GLU A 22 22.627 2.323 -14.030 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.802 2.424 -15.573 1.00 0.00 H new ATOM 380 N LEU A 23 19.012 -1.407 -14.137 1.00 0.00 N ATOM 381 CA LEU A 23 18.273 -2.538 -13.555 1.00 0.00 C ATOM 382 C LEU A 23 19.181 -3.766 -13.575 1.00 0.00 C ATOM 383 O LEU A 23 19.355 -4.414 -12.540 1.00 0.00 O ATOM 384 CB LEU A 23 16.910 -2.730 -14.286 1.00 0.00 C ATOM 385 CG LEU A 23 16.170 -4.094 -14.271 1.00 0.00 C ATOM 386 CD1 LEU A 23 16.861 -5.252 -14.998 1.00 0.00 C ATOM 387 CD2 LEU A 23 15.805 -4.486 -12.837 1.00 0.00 C ATOM 0 H LEU A 23 18.552 -0.985 -14.944 1.00 0.00 H new ATOM 0 HA LEU A 23 18.009 -2.350 -12.514 1.00 0.00 H new ATOM 0 HB2 LEU A 23 16.222 -1.991 -13.874 1.00 0.00 H new ATOM 0 HB3 LEU A 23 17.071 -2.468 -15.332 1.00 0.00 H new ATOM 0 HG LEU A 23 15.270 -3.920 -14.862 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.248 -6.150 -14.917 1.00 0.00 H new ATOM 0 HD12 LEU A 23 16.992 -4.995 -16.049 1.00 0.00 H new ATOM 0 HD13 LEU A 23 17.835 -5.436 -14.545 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.287 -5.445 -12.843 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.713 -4.568 -12.240 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.155 -3.725 -12.406 1.00 0.00 H new ATOM 399 N LYS A 24 19.810 -4.062 -14.719 1.00 0.00 N ATOM 400 CA LYS A 24 20.683 -5.229 -14.850 1.00 0.00 C ATOM 401 C LYS A 24 21.859 -5.118 -13.878 1.00 0.00 C ATOM 402 O LYS A 24 22.128 -6.053 -13.119 1.00 0.00 O ATOM 403 CB LYS A 24 21.132 -5.365 -16.317 1.00 0.00 C ATOM 404 CG LYS A 24 21.826 -6.713 -16.574 1.00 0.00 C ATOM 405 CD LYS A 24 22.237 -6.911 -18.040 1.00 0.00 C ATOM 406 CE LYS A 24 23.337 -5.929 -18.477 1.00 0.00 C ATOM 407 NZ LYS A 24 23.779 -6.169 -19.874 1.00 0.00 N ATOM 0 H LYS A 24 19.728 -3.505 -15.569 1.00 0.00 H new ATOM 0 HA LYS A 24 20.144 -6.138 -14.585 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.267 -5.270 -16.973 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.813 -4.551 -16.567 1.00 0.00 H new ATOM 0 HG2 LYS A 24 22.711 -6.785 -15.942 1.00 0.00 H new ATOM 0 HG3 LYS A 24 21.157 -7.521 -16.278 1.00 0.00 H new ATOM 0 HD2 LYS A 24 22.589 -7.933 -18.181 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.364 -6.783 -18.680 1.00 0.00 H new ATOM 0 HE2 LYS A 24 22.968 -4.908 -18.385 1.00 0.00 H new ATOM 0 HE3 LYS A 24 24.191 -6.021 -17.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 24.521 -5.485 -20.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 24.156 -7.135 -19.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 22.970 -6.056 -20.518 1.00 0.00 H new ATOM 421 N LYS A 25 22.526 -3.960 -13.864 1.00 0.00 N ATOM 422 CA LYS A 25 23.655 -3.688 -12.981 1.00 0.00 C ATOM 423 C LYS A 25 23.244 -3.856 -11.521 1.00 0.00 C ATOM 424 O LYS A 25 23.948 -4.530 -10.775 1.00 0.00 O ATOM 425 CB LYS A 25 24.189 -2.275 -13.275 1.00 0.00 C ATOM 426 CG LYS A 25 25.436 -1.923 -12.452 1.00 0.00 C ATOM 427 CD LYS A 25 25.984 -0.545 -12.849 1.00 0.00 C ATOM 428 CE LYS A 25 27.227 -0.212 -12.012 1.00 0.00 C ATOM 429 NZ LYS A 25 27.802 1.112 -12.359 1.00 0.00 N ATOM 0 H LYS A 25 22.291 -3.178 -14.475 1.00 0.00 H new ATOM 0 HA LYS A 25 24.456 -4.403 -13.166 1.00 0.00 H new ATOM 0 HB2 LYS A 25 24.426 -2.195 -14.336 1.00 0.00 H new ATOM 0 HB3 LYS A 25 23.406 -1.546 -13.068 1.00 0.00 H new ATOM 0 HG2 LYS A 25 25.189 -1.928 -11.390 1.00 0.00 H new ATOM 0 HG3 LYS A 25 26.203 -2.682 -12.605 1.00 0.00 H new ATOM 0 HD2 LYS A 25 26.237 -0.537 -13.909 1.00 0.00 H new ATOM 0 HD3 LYS A 25 25.219 0.217 -12.698 1.00 0.00 H new ATOM 0 HE2 LYS A 25 26.964 -0.226 -10.954 1.00 0.00 H new ATOM 0 HE3 LYS A 25 27.981 -0.984 -12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 28.639 1.293 -11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 28.078 1.119 -13.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 27.093 1.854 -12.190 1.00 0.00 H new ATOM 443 N SER A 26 22.119 -3.276 -11.109 1.00 0.00 N ATOM 444 CA SER A 26 21.686 -3.279 -9.718 1.00 0.00 C ATOM 445 C SER A 26 21.342 -4.692 -9.251 1.00 0.00 C ATOM 446 O SER A 26 21.735 -5.107 -8.159 1.00 0.00 O ATOM 447 CB SER A 26 20.506 -2.322 -9.536 1.00 0.00 C ATOM 448 OG SER A 26 20.857 -1.029 -9.986 1.00 0.00 O ATOM 0 H SER A 26 21.480 -2.788 -11.737 1.00 0.00 H new ATOM 0 HA SER A 26 22.509 -2.929 -9.094 1.00 0.00 H new ATOM 0 HB2 SER A 26 19.642 -2.687 -10.092 1.00 0.00 H new ATOM 0 HB3 SER A 26 20.217 -2.284 -8.486 1.00 0.00 H new ATOM 0 HG SER A 26 20.858 -1.013 -10.966 1.00 0.00 H new ATOM 454 N LEU A 27 20.658 -5.459 -10.102 1.00 0.00 N ATOM 455 CA LEU A 27 20.348 -6.854 -9.826 1.00 0.00 C ATOM 456 C LEU A 27 21.640 -7.638 -9.605 1.00 0.00 C ATOM 457 O LEU A 27 21.785 -8.297 -8.574 1.00 0.00 O ATOM 458 CB LEU A 27 19.538 -7.457 -10.985 1.00 0.00 C ATOM 459 CG LEU A 27 18.028 -7.177 -10.943 1.00 0.00 C ATOM 460 CD1 LEU A 27 17.368 -7.785 -12.180 1.00 0.00 C ATOM 461 CD2 LEU A 27 17.353 -7.787 -9.717 1.00 0.00 C ATOM 0 H LEU A 27 20.306 -5.127 -11.000 1.00 0.00 H new ATOM 0 HA LEU A 27 19.745 -6.914 -8.920 1.00 0.00 H new ATOM 0 HB2 LEU A 27 19.937 -7.073 -11.924 1.00 0.00 H new ATOM 0 HB3 LEU A 27 19.691 -8.536 -10.991 1.00 0.00 H new ATOM 0 HG LEU A 27 17.908 -6.094 -10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.296 -7.589 -12.154 1.00 0.00 H new ATOM 0 HD12 LEU A 27 17.797 -7.339 -13.077 1.00 0.00 H new ATOM 0 HD13 LEU A 27 17.539 -8.861 -12.192 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.287 -7.559 -9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.493 -8.868 -9.725 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.796 -7.370 -8.813 1.00 0.00 H new ATOM 473 N TYR A 28 22.599 -7.528 -10.529 1.00 0.00 N ATOM 474 CA TYR A 28 23.881 -8.204 -10.389 1.00 0.00 C ATOM 475 C TYR A 28 24.623 -7.743 -9.123 1.00 0.00 C ATOM 476 O TYR A 28 25.253 -8.557 -8.445 1.00 0.00 O ATOM 477 CB TYR A 28 24.717 -7.967 -11.653 1.00 0.00 C ATOM 478 CG TYR A 28 26.038 -8.713 -11.663 1.00 0.00 C ATOM 479 CD1 TYR A 28 26.070 -10.083 -11.985 1.00 0.00 C ATOM 480 CD2 TYR A 28 27.233 -8.043 -11.334 1.00 0.00 C ATOM 481 CE1 TYR A 28 27.289 -10.786 -11.981 1.00 0.00 C ATOM 482 CE2 TYR A 28 28.455 -8.738 -11.328 1.00 0.00 C ATOM 483 CZ TYR A 28 28.489 -10.114 -11.650 1.00 0.00 C ATOM 484 OH TYR A 28 29.681 -10.777 -11.641 1.00 0.00 O ATOM 0 H TYR A 28 22.506 -6.975 -11.381 1.00 0.00 H new ATOM 0 HA TYR A 28 23.710 -9.274 -10.276 1.00 0.00 H new ATOM 0 HB2 TYR A 28 24.134 -8.267 -12.524 1.00 0.00 H new ATOM 0 HB3 TYR A 28 24.913 -6.899 -11.753 1.00 0.00 H new ATOM 0 HD1 TYR A 28 25.154 -10.597 -12.236 1.00 0.00 H new ATOM 0 HD2 TYR A 28 27.210 -6.992 -11.086 1.00 0.00 H new ATOM 0 HE1 TYR A 28 27.308 -11.837 -12.230 1.00 0.00 H new ATOM 0 HE2 TYR A 28 29.369 -8.220 -11.077 1.00 0.00 H new ATOM 0 HH TYR A 28 30.398 -10.157 -11.392 1.00 0.00 H new ATOM 494 N ALA A 29 24.544 -6.449 -8.789 1.00 0.00 N ATOM 495 CA ALA A 29 25.265 -5.857 -7.671 1.00 0.00 C ATOM 496 C ALA A 29 24.761 -6.362 -6.317 1.00 0.00 C ATOM 497 O ALA A 29 25.594 -6.612 -5.443 1.00 0.00 O ATOM 498 CB ALA A 29 25.165 -4.328 -7.731 1.00 0.00 C ATOM 0 H ALA A 29 23.967 -5.780 -9.299 1.00 0.00 H new ATOM 0 HA ALA A 29 26.307 -6.162 -7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 29 25.707 -3.895 -6.891 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.598 -3.971 -8.665 1.00 0.00 H new ATOM 0 HB3 ALA A 29 24.118 -4.030 -7.680 1.00 0.00 H new ATOM 504 N ILE A 30 23.441 -6.508 -6.123 1.00 0.00 N ATOM 505 CA ILE A 30 22.886 -6.804 -4.795 1.00 0.00 C ATOM 506 C ILE A 30 21.930 -7.993 -4.750 1.00 0.00 C ATOM 507 O ILE A 30 22.048 -8.785 -3.820 1.00 0.00 O ATOM 508 CB ILE A 30 22.267 -5.557 -4.124 1.00 0.00 C ATOM 509 CG1 ILE A 30 21.366 -4.704 -5.045 1.00 0.00 C ATOM 510 CG2 ILE A 30 23.387 -4.698 -3.504 1.00 0.00 C ATOM 511 CD1 ILE A 30 20.525 -3.670 -4.283 1.00 0.00 C ATOM 0 H ILE A 30 22.744 -6.427 -6.863 1.00 0.00 H new ATOM 0 HA ILE A 30 23.752 -7.110 -4.208 1.00 0.00 H new ATOM 0 HB ILE A 30 21.596 -5.930 -3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 30 21.990 -4.188 -5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 30 20.701 -5.363 -5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 30 22.951 -3.818 -3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 30 23.924 -5.283 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 30 24.079 -4.384 -4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.916 -3.105 -4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 30 19.876 -4.181 -3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 30 21.185 -2.988 -3.747 1.00 0.00 H new ATOM 523 N PHE A 31 21.031 -8.187 -5.716 1.00 0.00 N ATOM 524 CA PHE A 31 20.135 -9.352 -5.695 1.00 0.00 C ATOM 525 C PHE A 31 20.921 -10.670 -5.704 1.00 0.00 C ATOM 526 O PHE A 31 20.555 -11.599 -4.978 1.00 0.00 O ATOM 527 CB PHE A 31 19.110 -9.311 -6.838 1.00 0.00 C ATOM 528 CG PHE A 31 17.756 -8.741 -6.465 1.00 0.00 C ATOM 529 CD1 PHE A 31 17.633 -7.387 -6.109 1.00 0.00 C ATOM 530 CD2 PHE A 31 16.607 -9.557 -6.521 1.00 0.00 C ATOM 531 CE1 PHE A 31 16.367 -6.846 -5.828 1.00 0.00 C ATOM 532 CE2 PHE A 31 15.343 -9.017 -6.233 1.00 0.00 C ATOM 533 CZ PHE A 31 15.222 -7.659 -5.894 1.00 0.00 C ATOM 0 H PHE A 31 20.902 -7.564 -6.514 1.00 0.00 H new ATOM 0 HA PHE A 31 19.579 -9.304 -4.759 1.00 0.00 H new ATOM 0 HB2 PHE A 31 19.523 -8.720 -7.655 1.00 0.00 H new ATOM 0 HB3 PHE A 31 18.969 -10.324 -7.216 1.00 0.00 H new ATOM 0 HD1 PHE A 31 18.512 -6.762 -6.051 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.699 -10.600 -6.786 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.273 -5.804 -5.561 1.00 0.00 H new ATOM 0 HE2 PHE A 31 14.465 -9.645 -6.272 1.00 0.00 H new ATOM 0 HZ PHE A 31 14.249 -7.240 -5.684 1.00 0.00 H new ATOM 543 N SER A 32 22.033 -10.750 -6.443 1.00 0.00 N ATOM 544 CA SER A 32 22.902 -11.924 -6.418 1.00 0.00 C ATOM 545 C SER A 32 23.428 -12.259 -5.017 1.00 0.00 C ATOM 546 O SER A 32 23.655 -13.435 -4.739 1.00 0.00 O ATOM 547 CB SER A 32 24.065 -11.735 -7.389 1.00 0.00 C ATOM 548 OG SER A 32 23.561 -11.732 -8.708 1.00 0.00 O ATOM 0 H SER A 32 22.351 -10.009 -7.068 1.00 0.00 H new ATOM 0 HA SER A 32 22.292 -12.772 -6.730 1.00 0.00 H new ATOM 0 HB2 SER A 32 24.582 -10.798 -7.181 1.00 0.00 H new ATOM 0 HB3 SER A 32 24.794 -12.536 -7.265 1.00 0.00 H new ATOM 0 HG SER A 32 24.300 -11.609 -9.340 1.00 0.00 H new ATOM 554 N GLN A 33 23.557 -11.291 -4.103 1.00 0.00 N ATOM 555 CA GLN A 33 24.048 -11.544 -2.748 1.00 0.00 C ATOM 556 C GLN A 33 23.065 -12.397 -1.924 1.00 0.00 C ATOM 557 O GLN A 33 23.424 -12.844 -0.834 1.00 0.00 O ATOM 558 CB GLN A 33 24.367 -10.221 -2.025 1.00 0.00 C ATOM 559 CG GLN A 33 25.345 -9.305 -2.783 1.00 0.00 C ATOM 560 CD GLN A 33 26.709 -9.958 -3.011 1.00 0.00 C ATOM 561 OE1 GLN A 33 26.993 -10.490 -4.081 1.00 0.00 O ATOM 562 NE2 GLN A 33 27.579 -9.951 -2.013 1.00 0.00 N ATOM 0 H GLN A 33 23.324 -10.314 -4.283 1.00 0.00 H new ATOM 0 HA GLN A 33 24.970 -12.118 -2.842 1.00 0.00 H new ATOM 0 HB2 GLN A 33 23.436 -9.679 -1.856 1.00 0.00 H new ATOM 0 HB3 GLN A 33 24.786 -10.448 -1.045 1.00 0.00 H new ATOM 0 HG2 GLN A 33 24.911 -9.034 -3.746 1.00 0.00 H new ATOM 0 HG3 GLN A 33 25.479 -8.380 -2.222 1.00 0.00 H new ATOM 0 HE21 GLN A 33 27.336 -9.507 -1.127 1.00 0.00 H new ATOM 0 HE22 GLN A 33 28.493 -10.389 -2.130 1.00 0.00 H new ATOM 571 N PHE A 34 21.854 -12.655 -2.437 1.00 0.00 N ATOM 572 CA PHE A 34 20.812 -13.417 -1.760 1.00 0.00 C ATOM 573 C PHE A 34 20.504 -14.736 -2.483 1.00 0.00 C ATOM 574 O PHE A 34 19.542 -15.407 -2.102 1.00 0.00 O ATOM 575 CB PHE A 34 19.564 -12.533 -1.598 1.00 0.00 C ATOM 576 CG PHE A 34 19.814 -11.251 -0.823 1.00 0.00 C ATOM 577 CD1 PHE A 34 19.792 -11.258 0.585 1.00 0.00 C ATOM 578 CD2 PHE A 34 20.106 -10.058 -1.509 1.00 0.00 C ATOM 579 CE1 PHE A 34 20.062 -10.076 1.301 1.00 0.00 C ATOM 580 CE2 PHE A 34 20.382 -8.879 -0.794 1.00 0.00 C ATOM 581 CZ PHE A 34 20.357 -8.886 0.611 1.00 0.00 C ATOM 0 H PHE A 34 21.571 -12.327 -3.361 1.00 0.00 H new ATOM 0 HA PHE A 34 21.167 -13.702 -0.769 1.00 0.00 H new ATOM 0 HB2 PHE A 34 19.180 -12.280 -2.586 1.00 0.00 H new ATOM 0 HB3 PHE A 34 18.788 -13.107 -1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 34 19.568 -12.171 1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 34 20.118 -10.048 -2.589 1.00 0.00 H new ATOM 0 HE1 PHE A 34 20.043 -10.083 2.381 1.00 0.00 H new ATOM 0 HE2 PHE A 34 20.613 -7.967 -1.325 1.00 0.00 H new ATOM 0 HZ PHE A 34 20.564 -7.979 1.160 1.00 0.00 H new ATOM 591 N GLY A 35 21.295 -15.142 -3.489 1.00 0.00 N ATOM 592 CA GLY A 35 21.103 -16.456 -4.108 1.00 0.00 C ATOM 593 C GLY A 35 21.859 -16.744 -5.409 1.00 0.00 C ATOM 594 O GLY A 35 21.694 -17.836 -5.949 1.00 0.00 O ATOM 0 H GLY A 35 22.057 -14.590 -3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.387 -17.215 -3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.038 -16.583 -4.303 1.00 0.00 H new ATOM 598 N GLN A 36 22.673 -15.805 -5.898 1.00 0.00 N ATOM 599 CA GLN A 36 23.324 -15.780 -7.208 1.00 0.00 C ATOM 600 C GLN A 36 22.327 -15.862 -8.375 1.00 0.00 C ATOM 601 O GLN A 36 21.694 -16.887 -8.637 1.00 0.00 O ATOM 602 CB GLN A 36 24.470 -16.808 -7.289 1.00 0.00 C ATOM 603 CG GLN A 36 25.295 -16.705 -8.584 1.00 0.00 C ATOM 604 CD GLN A 36 25.842 -15.295 -8.838 1.00 0.00 C ATOM 605 OE1 GLN A 36 26.683 -14.795 -8.096 1.00 0.00 O ATOM 606 NE2 GLN A 36 25.353 -14.609 -9.861 1.00 0.00 N ATOM 0 H GLN A 36 22.911 -14.981 -5.346 1.00 0.00 H new ATOM 0 HA GLN A 36 23.789 -14.801 -7.319 1.00 0.00 H new ATOM 0 HB2 GLN A 36 25.132 -16.671 -6.434 1.00 0.00 H new ATOM 0 HB3 GLN A 36 24.053 -17.812 -7.212 1.00 0.00 H new ATOM 0 HG2 GLN A 36 26.127 -17.408 -8.535 1.00 0.00 H new ATOM 0 HG3 GLN A 36 24.674 -17.005 -9.428 1.00 0.00 H new ATOM 0 HE21 GLN A 36 24.655 -15.033 -10.472 1.00 0.00 H new ATOM 0 HE22 GLN A 36 25.675 -13.657 -10.037 1.00 0.00 H new ATOM 615 N ILE A 37 22.215 -14.756 -9.110 1.00 0.00 N ATOM 616 CA ILE A 37 21.466 -14.693 -10.358 1.00 0.00 C ATOM 617 C ILE A 37 22.104 -15.635 -11.385 1.00 0.00 C ATOM 618 O ILE A 37 23.315 -15.872 -11.372 1.00 0.00 O ATOM 619 CB ILE A 37 21.410 -13.221 -10.819 1.00 0.00 C ATOM 620 CG1 ILE A 37 20.454 -12.479 -9.859 1.00 0.00 C ATOM 621 CG2 ILE A 37 20.979 -13.043 -12.284 1.00 0.00 C ATOM 622 CD1 ILE A 37 20.344 -10.981 -10.115 1.00 0.00 C ATOM 0 H ILE A 37 22.648 -13.870 -8.850 1.00 0.00 H new ATOM 0 HA ILE A 37 20.438 -15.033 -10.229 1.00 0.00 H new ATOM 0 HB ILE A 37 22.416 -12.804 -10.781 1.00 0.00 H new ATOM 0 HG12 ILE A 37 19.462 -12.923 -9.939 1.00 0.00 H new ATOM 0 HG13 ILE A 37 20.792 -12.637 -8.835 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.964 -11.982 -12.532 1.00 0.00 H new ATOM 0 HG22 ILE A 37 21.684 -13.558 -12.936 1.00 0.00 H new ATOM 0 HG23 ILE A 37 19.983 -13.463 -12.424 1.00 0.00 H new ATOM 0 HD11 ILE A 37 19.653 -10.539 -9.397 1.00 0.00 H new ATOM 0 HD12 ILE A 37 21.326 -10.520 -10.005 1.00 0.00 H new ATOM 0 HD13 ILE A 37 19.974 -10.811 -11.126 1.00 0.00 H new ATOM 634 N LEU A 38 21.276 -16.116 -12.310 1.00 0.00 N ATOM 635 CA LEU A 38 21.629 -16.964 -13.435 1.00 0.00 C ATOM 636 C LEU A 38 21.318 -16.219 -14.740 1.00 0.00 C ATOM 637 O LEU A 38 22.153 -16.250 -15.644 1.00 0.00 O ATOM 638 CB LEU A 38 20.871 -18.298 -13.280 1.00 0.00 C ATOM 639 CG LEU A 38 21.172 -19.431 -14.284 1.00 0.00 C ATOM 640 CD1 LEU A 38 20.462 -19.260 -15.631 1.00 0.00 C ATOM 641 CD2 LEU A 38 22.673 -19.656 -14.498 1.00 0.00 C ATOM 0 H LEU A 38 20.278 -15.908 -12.288 1.00 0.00 H new ATOM 0 HA LEU A 38 22.694 -17.196 -13.463 1.00 0.00 H new ATOM 0 HB2 LEU A 38 21.070 -18.679 -12.279 1.00 0.00 H new ATOM 0 HB3 LEU A 38 19.804 -18.082 -13.332 1.00 0.00 H new ATOM 0 HG LEU A 38 20.762 -20.324 -13.813 1.00 0.00 H new ATOM 0 HD11 LEU A 38 20.720 -20.092 -16.286 1.00 0.00 H new ATOM 0 HD12 LEU A 38 19.384 -19.242 -15.474 1.00 0.00 H new ATOM 0 HD13 LEU A 38 20.777 -18.324 -16.092 1.00 0.00 H new ATOM 0 HD21 LEU A 38 22.821 -20.465 -15.214 1.00 0.00 H new ATOM 0 HD22 LEU A 38 23.127 -18.743 -14.883 1.00 0.00 H new ATOM 0 HD23 LEU A 38 23.140 -19.921 -13.549 1.00 0.00 H new ATOM 653 N ASP A 39 20.194 -15.488 -14.838 1.00 0.00 N ATOM 654 CA ASP A 39 19.892 -14.633 -16.001 1.00 0.00 C ATOM 655 C ASP A 39 18.895 -13.525 -15.634 1.00 0.00 C ATOM 656 O ASP A 39 18.230 -13.633 -14.609 1.00 0.00 O ATOM 657 CB ASP A 39 19.353 -15.486 -17.165 1.00 0.00 C ATOM 658 CG ASP A 39 19.156 -14.669 -18.454 1.00 0.00 C ATOM 659 OD1 ASP A 39 19.988 -13.779 -18.742 1.00 0.00 O ATOM 660 OD2 ASP A 39 18.180 -14.933 -19.188 1.00 0.00 O ATOM 0 H ASP A 39 19.472 -15.472 -14.118 1.00 0.00 H new ATOM 0 HA ASP A 39 20.818 -14.153 -16.318 1.00 0.00 H new ATOM 0 HB2 ASP A 39 20.044 -16.306 -17.361 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.403 -15.933 -16.874 1.00 0.00 H new ATOM 665 N ILE A 40 18.769 -12.466 -16.439 1.00 0.00 N ATOM 666 CA ILE A 40 17.934 -11.287 -16.182 1.00 0.00 C ATOM 667 C ILE A 40 17.209 -10.958 -17.492 1.00 0.00 C ATOM 668 O ILE A 40 17.817 -11.013 -18.565 1.00 0.00 O ATOM 669 CB ILE A 40 18.806 -10.094 -15.697 1.00 0.00 C ATOM 670 CG1 ILE A 40 19.548 -10.428 -14.382 1.00 0.00 C ATOM 671 CG2 ILE A 40 17.950 -8.824 -15.515 1.00 0.00 C ATOM 672 CD1 ILE A 40 20.596 -9.400 -13.930 1.00 0.00 C ATOM 0 H ILE A 40 19.268 -12.403 -17.327 1.00 0.00 H new ATOM 0 HA ILE A 40 17.210 -11.483 -15.391 1.00 0.00 H new ATOM 0 HB ILE A 40 19.553 -9.906 -16.468 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.810 -10.540 -13.588 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.040 -11.394 -14.499 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.583 -8.004 -15.175 1.00 0.00 H new ATOM 0 HG22 ILE A 40 17.489 -8.557 -16.466 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.172 -9.012 -14.775 1.00 0.00 H new ATOM 0 HD11 ILE A 40 21.054 -9.733 -12.999 1.00 0.00 H new ATOM 0 HD12 ILE A 40 21.364 -9.302 -14.697 1.00 0.00 H new ATOM 0 HD13 ILE A 40 20.115 -8.435 -13.772 1.00 0.00 H new ATOM 684 N VAL A 41 15.924 -10.593 -17.408 1.00 0.00 N ATOM 685 CA VAL A 41 15.062 -10.332 -18.553 1.00 0.00 C ATOM 686 C VAL A 41 14.157 -9.131 -18.230 1.00 0.00 C ATOM 687 O VAL A 41 13.099 -9.274 -17.615 1.00 0.00 O ATOM 688 CB VAL A 41 14.252 -11.604 -18.924 1.00 0.00 C ATOM 689 CG1 VAL A 41 13.444 -11.391 -20.216 1.00 0.00 C ATOM 690 CG2 VAL A 41 15.126 -12.853 -19.129 1.00 0.00 C ATOM 0 H VAL A 41 15.448 -10.469 -16.514 1.00 0.00 H new ATOM 0 HA VAL A 41 15.661 -10.081 -19.428 1.00 0.00 H new ATOM 0 HB VAL A 41 13.595 -11.773 -18.071 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.887 -12.298 -20.451 1.00 0.00 H new ATOM 0 HG12 VAL A 41 12.748 -10.564 -20.078 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.124 -11.160 -21.036 1.00 0.00 H new ATOM 0 HG21 VAL A 41 14.493 -13.702 -19.385 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.835 -12.672 -19.937 1.00 0.00 H new ATOM 0 HG23 VAL A 41 15.670 -13.071 -18.210 1.00 0.00 H new ATOM 700 N ALA A 42 14.578 -7.931 -18.633 1.00 0.00 N ATOM 701 CA ALA A 42 13.772 -6.721 -18.630 1.00 0.00 C ATOM 702 C ALA A 42 14.085 -5.978 -19.935 1.00 0.00 C ATOM 703 O ALA A 42 15.166 -6.163 -20.502 1.00 0.00 O ATOM 704 CB ALA A 42 14.103 -5.892 -17.387 1.00 0.00 C ATOM 0 H ALA A 42 15.524 -7.775 -18.982 1.00 0.00 H new ATOM 0 HA ALA A 42 12.704 -6.933 -18.586 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.499 -4.984 -17.384 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.886 -6.475 -16.492 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.160 -5.625 -17.399 1.00 0.00 H new ATOM 710 N LEU A 43 13.160 -5.144 -20.420 1.00 0.00 N ATOM 711 CA LEU A 43 13.252 -4.475 -21.720 1.00 0.00 C ATOM 712 C LEU A 43 12.757 -3.036 -21.588 1.00 0.00 C ATOM 713 O LEU A 43 12.098 -2.685 -20.610 1.00 0.00 O ATOM 714 CB LEU A 43 12.413 -5.230 -22.775 1.00 0.00 C ATOM 715 CG LEU A 43 12.946 -6.614 -23.193 1.00 0.00 C ATOM 716 CD1 LEU A 43 11.928 -7.293 -24.116 1.00 0.00 C ATOM 717 CD2 LEU A 43 14.296 -6.527 -23.917 1.00 0.00 C ATOM 0 H LEU A 43 12.309 -4.911 -19.909 1.00 0.00 H new ATOM 0 HA LEU A 43 14.292 -4.471 -22.046 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.402 -5.353 -22.387 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.338 -4.606 -23.666 1.00 0.00 H new ATOM 0 HG LEU A 43 13.094 -7.195 -22.282 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.303 -8.272 -24.413 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.981 -7.411 -23.589 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.775 -6.679 -25.003 1.00 0.00 H new ATOM 0 HD21 LEU A 43 14.628 -7.529 -24.190 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.188 -5.922 -24.818 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.033 -6.068 -23.258 1.00 0.00 H new ATOM 847 N GLY A 50 8.978 -0.701 -16.235 1.00 0.00 N ATOM 848 CA GLY A 50 9.133 -0.618 -14.783 1.00 0.00 C ATOM 849 C GLY A 50 8.912 -1.968 -14.094 1.00 0.00 C ATOM 850 O GLY A 50 8.540 -2.007 -12.918 1.00 0.00 O ATOM 0 HA2 GLY A 50 10.132 -0.252 -14.547 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.425 0.110 -14.386 1.00 0.00 H new ATOM 854 N GLN A 51 9.128 -3.075 -14.811 1.00 0.00 N ATOM 855 CA GLN A 51 9.022 -4.436 -14.301 1.00 0.00 C ATOM 856 C GLN A 51 10.071 -5.309 -14.998 1.00 0.00 C ATOM 857 O GLN A 51 10.594 -4.935 -16.048 1.00 0.00 O ATOM 858 CB GLN A 51 7.584 -4.986 -14.436 1.00 0.00 C ATOM 859 CG GLN A 51 6.944 -4.946 -15.834 1.00 0.00 C ATOM 860 CD GLN A 51 6.347 -3.574 -16.175 1.00 0.00 C ATOM 861 OE1 GLN A 51 6.990 -2.722 -16.782 1.00 0.00 O ATOM 862 NE2 GLN A 51 5.118 -3.306 -15.763 1.00 0.00 N ATOM 0 H GLN A 51 9.390 -3.042 -15.796 1.00 0.00 H new ATOM 0 HA GLN A 51 9.230 -4.446 -13.231 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.585 -6.021 -14.094 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.943 -4.426 -13.755 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.695 -5.206 -16.580 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.161 -5.702 -15.892 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.584 -4.013 -15.259 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.705 -2.392 -15.950 1.00 0.00 H new ATOM 871 N ALA A 52 10.404 -6.451 -14.401 1.00 0.00 N ATOM 872 CA ALA A 52 11.517 -7.301 -14.795 1.00 0.00 C ATOM 873 C ALA A 52 11.256 -8.742 -14.357 1.00 0.00 C ATOM 874 O ALA A 52 10.492 -8.985 -13.421 1.00 0.00 O ATOM 875 CB ALA A 52 12.792 -6.795 -14.102 1.00 0.00 C ATOM 0 H ALA A 52 9.887 -6.820 -13.603 1.00 0.00 H new ATOM 0 HA ALA A 52 11.631 -7.270 -15.879 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.635 -7.423 -14.388 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.987 -5.766 -14.405 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.659 -6.836 -13.021 1.00 0.00 H new ATOM 881 N PHE A 53 11.949 -9.682 -14.991 1.00 0.00 N ATOM 882 CA PHE A 53 12.025 -11.074 -14.579 1.00 0.00 C ATOM 883 C PHE A 53 13.507 -11.371 -14.386 1.00 0.00 C ATOM 884 O PHE A 53 14.364 -10.773 -15.044 1.00 0.00 O ATOM 885 CB PHE A 53 11.428 -12.019 -15.632 1.00 0.00 C ATOM 886 CG PHE A 53 9.920 -11.969 -15.772 1.00 0.00 C ATOM 887 CD1 PHE A 53 9.106 -12.764 -14.942 1.00 0.00 C ATOM 888 CD2 PHE A 53 9.331 -11.164 -16.765 1.00 0.00 C ATOM 889 CE1 PHE A 53 7.709 -12.756 -15.113 1.00 0.00 C ATOM 890 CE2 PHE A 53 7.934 -11.142 -16.921 1.00 0.00 C ATOM 891 CZ PHE A 53 7.122 -11.941 -16.097 1.00 0.00 C ATOM 0 H PHE A 53 12.490 -9.487 -15.833 1.00 0.00 H new ATOM 0 HA PHE A 53 11.450 -11.233 -13.667 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.873 -11.785 -16.599 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.719 -13.040 -15.385 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.553 -13.379 -14.175 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.954 -10.561 -17.409 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.086 -13.378 -14.487 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.485 -10.511 -17.674 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.049 -11.929 -16.220 1.00 0.00 H new ATOM 901 N VAL A 54 13.828 -12.298 -13.493 1.00 0.00 N ATOM 902 CA VAL A 54 15.201 -12.692 -13.228 1.00 0.00 C ATOM 903 C VAL A 54 15.166 -14.150 -12.778 1.00 0.00 C ATOM 904 O VAL A 54 14.220 -14.593 -12.122 1.00 0.00 O ATOM 905 CB VAL A 54 15.884 -11.673 -12.276 1.00 0.00 C ATOM 906 CG1 VAL A 54 15.022 -11.174 -11.107 1.00 0.00 C ATOM 907 CG2 VAL A 54 17.204 -12.175 -11.683 1.00 0.00 C ATOM 0 H VAL A 54 13.139 -12.798 -12.931 1.00 0.00 H new ATOM 0 HA VAL A 54 15.842 -12.658 -14.109 1.00 0.00 H new ATOM 0 HB VAL A 54 16.061 -10.838 -12.954 1.00 0.00 H new ATOM 0 HG11 VAL A 54 15.596 -10.468 -10.507 1.00 0.00 H new ATOM 0 HG12 VAL A 54 14.132 -10.679 -11.496 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.725 -12.020 -10.487 1.00 0.00 H new ATOM 0 HG21 VAL A 54 17.623 -11.411 -11.029 1.00 0.00 H new ATOM 0 HG22 VAL A 54 17.023 -13.084 -11.109 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.907 -12.388 -12.488 1.00 0.00 H new ATOM 917 N ILE A 55 16.176 -14.901 -13.208 1.00 0.00 N ATOM 918 CA ILE A 55 16.319 -16.332 -13.047 1.00 0.00 C ATOM 919 C ILE A 55 17.540 -16.491 -12.144 1.00 0.00 C ATOM 920 O ILE A 55 18.538 -15.792 -12.334 1.00 0.00 O ATOM 921 CB ILE A 55 16.497 -17.037 -14.420 1.00 0.00 C ATOM 922 CG1 ILE A 55 15.370 -16.811 -15.463 1.00 0.00 C ATOM 923 CG2 ILE A 55 16.581 -18.562 -14.209 1.00 0.00 C ATOM 924 CD1 ILE A 55 15.272 -15.420 -16.103 1.00 0.00 C ATOM 0 H ILE A 55 16.964 -14.493 -13.710 1.00 0.00 H new ATOM 0 HA ILE A 55 15.436 -16.799 -12.610 1.00 0.00 H new ATOM 0 HB ILE A 55 17.405 -16.587 -14.822 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.498 -17.541 -16.262 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.417 -17.029 -14.982 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.706 -19.056 -15.172 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.432 -18.794 -13.569 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.664 -18.915 -13.736 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.443 -15.403 -16.811 1.00 0.00 H new ATOM 0 HD12 ILE A 55 15.102 -14.674 -15.327 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.201 -15.194 -16.627 1.00 0.00 H new ATOM 936 N PHE A 56 17.474 -17.408 -11.183 1.00 0.00 N ATOM 937 CA PHE A 56 18.454 -17.601 -10.119 1.00 0.00 C ATOM 938 C PHE A 56 19.004 -19.028 -10.153 1.00 0.00 C ATOM 939 O PHE A 56 18.435 -19.916 -10.795 1.00 0.00 O ATOM 940 CB PHE A 56 17.784 -17.292 -8.770 1.00 0.00 C ATOM 941 CG PHE A 56 18.012 -15.887 -8.253 1.00 0.00 C ATOM 942 CD1 PHE A 56 17.217 -14.813 -8.700 1.00 0.00 C ATOM 943 CD2 PHE A 56 19.003 -15.664 -7.282 1.00 0.00 C ATOM 944 CE1 PHE A 56 17.397 -13.531 -8.151 1.00 0.00 C ATOM 945 CE2 PHE A 56 19.196 -14.380 -6.746 1.00 0.00 C ATOM 946 CZ PHE A 56 18.383 -13.320 -7.172 1.00 0.00 C ATOM 0 H PHE A 56 16.699 -18.068 -11.122 1.00 0.00 H new ATOM 0 HA PHE A 56 19.297 -16.925 -10.261 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.711 -17.458 -8.867 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.151 -18.001 -8.028 1.00 0.00 H new ATOM 0 HD1 PHE A 56 16.470 -14.974 -9.463 1.00 0.00 H new ATOM 0 HD2 PHE A 56 19.620 -16.484 -6.946 1.00 0.00 H new ATOM 0 HE1 PHE A 56 16.778 -12.710 -8.481 1.00 0.00 H new ATOM 0 HE2 PHE A 56 19.967 -14.210 -6.009 1.00 0.00 H new ATOM 0 HZ PHE A 56 18.515 -12.337 -6.746 1.00 0.00 H new ATOM 956 N LYS A 57 20.125 -19.241 -9.456 1.00 0.00 N ATOM 957 CA LYS A 57 20.898 -20.483 -9.469 1.00 0.00 C ATOM 958 C LYS A 57 20.068 -21.720 -9.116 1.00 0.00 C ATOM 959 O LYS A 57 20.285 -22.778 -9.705 1.00 0.00 O ATOM 960 CB LYS A 57 22.080 -20.307 -8.497 1.00 0.00 C ATOM 961 CG LYS A 57 23.069 -21.484 -8.509 1.00 0.00 C ATOM 962 CD LYS A 57 24.329 -21.206 -7.673 1.00 0.00 C ATOM 963 CE LYS A 57 24.005 -20.970 -6.188 1.00 0.00 C ATOM 964 NZ LYS A 57 25.232 -20.825 -5.362 1.00 0.00 N ATOM 0 H LYS A 57 20.531 -18.529 -8.848 1.00 0.00 H new ATOM 0 HA LYS A 57 21.252 -20.664 -10.484 1.00 0.00 H new ATOM 0 HB2 LYS A 57 22.615 -19.392 -8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 57 21.692 -20.180 -7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 57 22.572 -22.375 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 57 23.360 -21.699 -9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 57 25.015 -22.048 -7.763 1.00 0.00 H new ATOM 0 HD3 LYS A 57 24.843 -20.332 -8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 57 23.394 -20.072 -6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 57 23.411 -21.803 -5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 24.966 -20.668 -4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 25.803 -21.691 -5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 25.787 -20.015 -5.704 1.00 0.00 H new ATOM 978 N GLU A 58 19.139 -21.612 -8.165 1.00 0.00 N ATOM 979 CA GLU A 58 18.374 -22.739 -7.643 1.00 0.00 C ATOM 980 C GLU A 58 17.052 -22.203 -7.088 1.00 0.00 C ATOM 981 O GLU A 58 16.971 -21.030 -6.719 1.00 0.00 O ATOM 982 CB GLU A 58 19.222 -23.439 -6.561 1.00 0.00 C ATOM 983 CG GLU A 58 18.584 -24.671 -5.904 1.00 0.00 C ATOM 984 CD GLU A 58 18.216 -25.762 -6.925 1.00 0.00 C ATOM 985 OE1 GLU A 58 17.167 -25.619 -7.591 1.00 0.00 O ATOM 986 OE2 GLU A 58 18.962 -26.759 -7.056 1.00 0.00 O ATOM 0 H GLU A 58 18.895 -20.722 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 58 18.143 -23.472 -8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 58 20.170 -23.739 -7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 58 19.452 -22.713 -5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 58 19.274 -25.085 -5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.688 -24.367 -5.364 1.00 0.00 H new ATOM 993 N ILE A 59 16.018 -23.047 -7.019 1.00 0.00 N ATOM 994 CA ILE A 59 14.666 -22.655 -6.616 1.00 0.00 C ATOM 995 C ILE A 59 14.617 -22.092 -5.186 1.00 0.00 C ATOM 996 O ILE A 59 13.872 -21.145 -4.917 1.00 0.00 O ATOM 997 CB ILE A 59 13.682 -23.836 -6.826 1.00 0.00 C ATOM 998 CG1 ILE A 59 13.908 -25.018 -5.852 1.00 0.00 C ATOM 999 CG2 ILE A 59 13.718 -24.312 -8.290 1.00 0.00 C ATOM 1000 CD1 ILE A 59 12.965 -26.210 -6.068 1.00 0.00 C ATOM 0 H ILE A 59 16.099 -24.038 -7.246 1.00 0.00 H new ATOM 0 HA ILE A 59 14.348 -21.835 -7.259 1.00 0.00 H new ATOM 0 HB ILE A 59 12.689 -23.451 -6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 59 14.937 -25.363 -5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.790 -24.658 -4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 59 13.022 -25.141 -8.420 1.00 0.00 H new ATOM 0 HG22 ILE A 59 13.431 -23.491 -8.947 1.00 0.00 H new ATOM 0 HG23 ILE A 59 14.726 -24.642 -8.541 1.00 0.00 H new ATOM 0 HD11 ILE A 59 13.194 -26.991 -5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 59 11.933 -25.885 -5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.098 -26.601 -7.077 1.00 0.00 H new ATOM 1012 N GLY A 60 15.423 -22.634 -4.267 1.00 0.00 N ATOM 1013 CA GLY A 60 15.469 -22.157 -2.890 1.00 0.00 C ATOM 1014 C GLY A 60 16.155 -20.797 -2.825 1.00 0.00 C ATOM 1015 O GLY A 60 15.675 -19.889 -2.151 1.00 0.00 O ATOM 0 H GLY A 60 16.056 -23.410 -4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.458 -22.082 -2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.006 -22.873 -2.267 1.00 0.00 H new ATOM 1019 N SER A 61 17.236 -20.627 -3.586 1.00 0.00 N ATOM 1020 CA SER A 61 17.973 -19.376 -3.680 1.00 0.00 C ATOM 1021 C SER A 61 17.104 -18.281 -4.308 1.00 0.00 C ATOM 1022 O SER A 61 17.084 -17.152 -3.816 1.00 0.00 O ATOM 1023 CB SER A 61 19.243 -19.627 -4.499 1.00 0.00 C ATOM 1024 OG SER A 61 19.935 -20.765 -4.007 1.00 0.00 O ATOM 0 H SER A 61 17.628 -21.371 -4.163 1.00 0.00 H new ATOM 0 HA SER A 61 18.249 -19.026 -2.685 1.00 0.00 H new ATOM 0 HB2 SER A 61 18.983 -19.777 -5.547 1.00 0.00 H new ATOM 0 HB3 SER A 61 19.891 -18.752 -4.453 1.00 0.00 H new ATOM 0 HG SER A 61 20.743 -20.913 -4.542 1.00 0.00 H new ATOM 1030 N ALA A 62 16.331 -18.629 -5.343 1.00 0.00 N ATOM 1031 CA ALA A 62 15.355 -17.744 -5.960 1.00 0.00 C ATOM 1032 C ALA A 62 14.328 -17.292 -4.922 1.00 0.00 C ATOM 1033 O ALA A 62 14.078 -16.096 -4.783 1.00 0.00 O ATOM 1034 CB ALA A 62 14.662 -18.486 -7.107 1.00 0.00 C ATOM 0 H ALA A 62 16.372 -19.551 -5.778 1.00 0.00 H new ATOM 0 HA ALA A 62 15.858 -16.860 -6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.929 -17.829 -7.575 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.404 -18.787 -7.847 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.160 -19.371 -6.717 1.00 0.00 H new ATOM 1040 N SER A 63 13.771 -18.241 -4.164 1.00 0.00 N ATOM 1041 CA SER A 63 12.792 -17.947 -3.123 1.00 0.00 C ATOM 1042 C SER A 63 13.379 -17.025 -2.055 1.00 0.00 C ATOM 1043 O SER A 63 12.715 -16.084 -1.620 1.00 0.00 O ATOM 1044 CB SER A 63 12.288 -19.249 -2.491 1.00 0.00 C ATOM 1045 OG SER A 63 11.796 -20.128 -3.482 1.00 0.00 O ATOM 0 H SER A 63 13.988 -19.233 -4.258 1.00 0.00 H new ATOM 0 HA SER A 63 11.951 -17.429 -3.584 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.098 -19.729 -1.941 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.501 -19.028 -1.770 1.00 0.00 H new ATOM 0 HG SER A 63 12.548 -20.528 -3.967 1.00 0.00 H new ATOM 1051 N ASN A 64 14.630 -17.264 -1.655 1.00 0.00 N ATOM 1052 CA ASN A 64 15.306 -16.470 -0.637 1.00 0.00 C ATOM 1053 C ASN A 64 15.480 -15.029 -1.101 1.00 0.00 C ATOM 1054 O ASN A 64 15.120 -14.106 -0.369 1.00 0.00 O ATOM 1055 CB ASN A 64 16.662 -17.086 -0.277 1.00 0.00 C ATOM 1056 CG ASN A 64 17.335 -16.270 0.822 1.00 0.00 C ATOM 1057 OD1 ASN A 64 16.896 -16.275 1.968 1.00 0.00 O ATOM 1058 ND2 ASN A 64 18.402 -15.558 0.505 1.00 0.00 N ATOM 0 H ASN A 64 15.202 -18.019 -2.033 1.00 0.00 H new ATOM 0 HA ASN A 64 14.683 -16.469 0.257 1.00 0.00 H new ATOM 0 HB2 ASN A 64 16.526 -18.115 0.056 1.00 0.00 H new ATOM 0 HB3 ASN A 64 17.301 -17.118 -1.159 1.00 0.00 H new ATOM 0 HD21 ASN A 64 18.874 -15.001 1.218 1.00 0.00 H new ATOM 0 HD22 ASN A 64 18.754 -15.565 -0.452 1.00 0.00 H new ATOM 1065 N ALA A 65 15.982 -14.837 -2.325 1.00 0.00 N ATOM 1066 CA ALA A 65 16.146 -13.528 -2.939 1.00 0.00 C ATOM 1067 C ALA A 65 14.814 -12.790 -2.960 1.00 0.00 C ATOM 1068 O ALA A 65 14.707 -11.687 -2.430 1.00 0.00 O ATOM 1069 CB ALA A 65 16.689 -13.696 -4.363 1.00 0.00 C ATOM 0 H ALA A 65 16.289 -15.605 -2.922 1.00 0.00 H new ATOM 0 HA ALA A 65 16.855 -12.940 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.812 -12.716 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 65 17.653 -14.204 -4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.989 -14.288 -4.952 1.00 0.00 H new ATOM 1075 N LEU A 66 13.792 -13.433 -3.528 1.00 0.00 N ATOM 1076 CA LEU A 66 12.449 -12.893 -3.672 1.00 0.00 C ATOM 1077 C LEU A 66 11.936 -12.419 -2.314 1.00 0.00 C ATOM 1078 O LEU A 66 11.629 -11.242 -2.133 1.00 0.00 O ATOM 1079 CB LEU A 66 11.576 -14.016 -4.255 1.00 0.00 C ATOM 1080 CG LEU A 66 10.178 -13.664 -4.787 1.00 0.00 C ATOM 1081 CD1 LEU A 66 9.443 -14.983 -5.036 1.00 0.00 C ATOM 1082 CD2 LEU A 66 9.339 -12.777 -3.866 1.00 0.00 C ATOM 0 H LEU A 66 13.885 -14.374 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 66 12.428 -12.029 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.133 -14.478 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.454 -14.775 -3.482 1.00 0.00 H new ATOM 0 HG LEU A 66 10.315 -13.074 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.443 -14.776 -5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.994 -15.574 -5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.368 -15.540 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.371 -12.585 -4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.191 -13.281 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.856 -11.832 -3.701 1.00 0.00 H new ATOM 1094 N ARG A 67 11.852 -13.336 -1.347 1.00 0.00 N ATOM 1095 CA ARG A 67 11.182 -13.074 -0.081 1.00 0.00 C ATOM 1096 C ARG A 67 11.941 -12.013 0.719 1.00 0.00 C ATOM 1097 O ARG A 67 11.308 -11.184 1.367 1.00 0.00 O ATOM 1098 CB ARG A 67 11.061 -14.399 0.689 1.00 0.00 C ATOM 1099 CG ARG A 67 9.998 -14.352 1.794 1.00 0.00 C ATOM 1100 CD ARG A 67 9.906 -15.726 2.473 1.00 0.00 C ATOM 1101 NE ARG A 67 8.717 -15.839 3.329 1.00 0.00 N ATOM 1102 CZ ARG A 67 8.602 -15.477 4.610 1.00 0.00 C ATOM 1103 NH1 ARG A 67 9.606 -14.880 5.250 1.00 0.00 N ATOM 1104 NH2 ARG A 67 7.465 -15.722 5.246 1.00 0.00 N ATOM 0 H ARG A 67 12.245 -14.274 -1.423 1.00 0.00 H new ATOM 0 HA ARG A 67 10.182 -12.677 -0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.816 -15.199 -0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.026 -14.646 1.131 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.254 -13.588 2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.031 -14.077 1.372 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.880 -16.506 1.712 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.801 -15.895 3.072 1.00 0.00 H new ATOM 0 HE ARG A 67 7.885 -16.239 2.896 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.482 -14.692 4.762 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.499 -14.611 6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.696 -16.180 4.757 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.359 -15.453 6.224 1.00 0.00 H new ATOM 1118 N THR A 68 13.278 -12.010 0.666 1.00 0.00 N ATOM 1119 CA THR A 68 14.086 -11.031 1.388 1.00 0.00 C ATOM 1120 C THR A 68 13.934 -9.640 0.757 1.00 0.00 C ATOM 1121 O THR A 68 13.780 -8.652 1.476 1.00 0.00 O ATOM 1122 CB THR A 68 15.560 -11.483 1.425 1.00 0.00 C ATOM 1123 OG1 THR A 68 15.653 -12.809 1.908 1.00 0.00 O ATOM 1124 CG2 THR A 68 16.421 -10.602 2.337 1.00 0.00 C ATOM 0 H THR A 68 13.823 -12.682 0.125 1.00 0.00 H new ATOM 0 HA THR A 68 13.732 -10.964 2.417 1.00 0.00 H new ATOM 0 HB THR A 68 15.928 -11.405 0.402 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.573 -13.436 1.159 1.00 0.00 H new ATOM 0 HG21 THR A 68 17.449 -10.963 2.327 1.00 0.00 H new ATOM 0 HG22 THR A 68 16.395 -9.573 1.979 1.00 0.00 H new ATOM 0 HG23 THR A 68 16.032 -10.642 3.355 1.00 0.00 H new ATOM 1132 N MET A 69 13.954 -9.553 -0.576 1.00 0.00 N ATOM 1133 CA MET A 69 13.932 -8.276 -1.288 1.00 0.00 C ATOM 1134 C MET A 69 12.513 -7.718 -1.439 1.00 0.00 C ATOM 1135 O MET A 69 12.353 -6.568 -1.848 1.00 0.00 O ATOM 1136 CB MET A 69 14.630 -8.425 -2.649 1.00 0.00 C ATOM 1137 CG MET A 69 16.119 -8.792 -2.523 1.00 0.00 C ATOM 1138 SD MET A 69 17.129 -7.651 -1.531 1.00 0.00 S ATOM 1139 CE MET A 69 17.115 -6.174 -2.581 1.00 0.00 C ATOM 0 H MET A 69 13.986 -10.367 -1.190 1.00 0.00 H new ATOM 0 HA MET A 69 14.481 -7.548 -0.691 1.00 0.00 H new ATOM 0 HB2 MET A 69 14.120 -9.193 -3.231 1.00 0.00 H new ATOM 0 HB3 MET A 69 14.537 -7.491 -3.203 1.00 0.00 H new ATOM 0 HG2 MET A 69 16.193 -9.788 -2.086 1.00 0.00 H new ATOM 0 HG3 MET A 69 16.546 -8.850 -3.524 1.00 0.00 H new ATOM 0 HE1 MET A 69 17.556 -5.338 -2.038 1.00 0.00 H new ATOM 0 HE2 MET A 69 17.693 -6.365 -3.485 1.00 0.00 H new ATOM 0 HE3 MET A 69 16.088 -5.930 -2.852 1.00 0.00 H new ATOM 1149 N GLN A 70 11.477 -8.493 -1.107 1.00 0.00 N ATOM 1150 CA GLN A 70 10.097 -8.029 -1.073 1.00 0.00 C ATOM 1151 C GLN A 70 9.999 -6.765 -0.210 1.00 0.00 C ATOM 1152 O GLN A 70 10.425 -6.762 0.948 1.00 0.00 O ATOM 1153 CB GLN A 70 9.198 -9.164 -0.547 1.00 0.00 C ATOM 1154 CG GLN A 70 7.694 -8.849 -0.530 1.00 0.00 C ATOM 1155 CD GLN A 70 7.096 -8.779 -1.933 1.00 0.00 C ATOM 1156 OE1 GLN A 70 7.408 -7.887 -2.715 1.00 0.00 O ATOM 1157 NE2 GLN A 70 6.247 -9.725 -2.295 1.00 0.00 N ATOM 0 H GLN A 70 11.580 -9.475 -0.851 1.00 0.00 H new ATOM 0 HA GLN A 70 9.756 -7.766 -2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.361 -10.050 -1.161 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.512 -9.416 0.466 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.172 -9.613 0.046 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.531 -7.899 -0.021 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.994 -10.462 -1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.845 -9.718 -3.232 1.00 0.00 H new ATOM 1166 N GLY A 71 9.441 -5.691 -0.773 1.00 0.00 N ATOM 1167 CA GLY A 71 9.260 -4.412 -0.100 1.00 0.00 C ATOM 1168 C GLY A 71 10.555 -3.614 0.086 1.00 0.00 C ATOM 1169 O GLY A 71 10.499 -2.530 0.668 1.00 0.00 O ATOM 0 H GLY A 71 9.096 -5.691 -1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.554 -3.810 -0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.811 -4.588 0.877 1.00 0.00 H new ATOM 1173 N PHE A 72 11.712 -4.109 -0.371 1.00 0.00 N ATOM 1174 CA PHE A 72 12.990 -3.427 -0.172 1.00 0.00 C ATOM 1175 C PHE A 72 12.999 -2.107 -0.959 1.00 0.00 C ATOM 1176 O PHE A 72 12.617 -2.122 -2.131 1.00 0.00 O ATOM 1177 CB PHE A 72 14.143 -4.337 -0.619 1.00 0.00 C ATOM 1178 CG PHE A 72 15.519 -3.751 -0.376 1.00 0.00 C ATOM 1179 CD1 PHE A 72 16.128 -3.877 0.888 1.00 0.00 C ATOM 1180 CD2 PHE A 72 16.192 -3.070 -1.410 1.00 0.00 C ATOM 1181 CE1 PHE A 72 17.400 -3.323 1.116 1.00 0.00 C ATOM 1182 CE2 PHE A 72 17.466 -2.518 -1.181 1.00 0.00 C ATOM 1183 CZ PHE A 72 18.069 -2.644 0.083 1.00 0.00 C ATOM 0 H PHE A 72 11.785 -4.987 -0.885 1.00 0.00 H new ATOM 0 HA PHE A 72 13.122 -3.201 0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.066 -5.289 -0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.033 -4.551 -1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.617 -4.400 1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.729 -2.971 -2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 72 17.864 -3.419 2.087 1.00 0.00 H new ATOM 0 HE2 PHE A 72 17.980 -1.998 -1.976 1.00 0.00 H new ATOM 0 HZ PHE A 72 19.046 -2.219 0.260 1.00 0.00 H new ATOM 1193 N PRO A 73 13.429 -0.973 -0.378 1.00 0.00 N ATOM 1194 CA PRO A 73 13.534 0.301 -1.080 1.00 0.00 C ATOM 1195 C PRO A 73 14.775 0.306 -1.987 1.00 0.00 C ATOM 1196 O PRO A 73 15.842 0.795 -1.613 1.00 0.00 O ATOM 1197 CB PRO A 73 13.560 1.362 0.020 1.00 0.00 C ATOM 1198 CG PRO A 73 14.246 0.644 1.185 1.00 0.00 C ATOM 1199 CD PRO A 73 13.788 -0.806 1.024 1.00 0.00 C ATOM 0 HA PRO A 73 12.701 0.496 -1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.114 2.248 -0.289 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.555 1.691 0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.331 0.732 1.129 1.00 0.00 H new ATOM 0 HG3 PRO A 73 13.942 1.057 2.147 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.582 -1.497 1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.936 -1.018 1.670 1.00 0.00 H new ATOM 1207 N PHE A 74 14.644 -0.291 -3.174 1.00 0.00 N ATOM 1208 CA PHE A 74 15.753 -0.531 -4.100 1.00 0.00 C ATOM 1209 C PHE A 74 16.345 0.791 -4.587 1.00 0.00 C ATOM 1210 O PHE A 74 17.566 0.960 -4.570 1.00 0.00 O ATOM 1211 CB PHE A 74 15.213 -1.406 -5.235 1.00 0.00 C ATOM 1212 CG PHE A 74 16.177 -1.987 -6.255 1.00 0.00 C ATOM 1213 CD1 PHE A 74 17.140 -2.935 -5.858 1.00 0.00 C ATOM 1214 CD2 PHE A 74 15.970 -1.746 -7.629 1.00 0.00 C ATOM 1215 CE1 PHE A 74 17.872 -3.648 -6.826 1.00 0.00 C ATOM 1216 CE2 PHE A 74 16.714 -2.448 -8.595 1.00 0.00 C ATOM 1217 CZ PHE A 74 17.648 -3.416 -8.193 1.00 0.00 C ATOM 0 H PHE A 74 13.747 -0.627 -3.525 1.00 0.00 H new ATOM 0 HA PHE A 74 16.577 -1.053 -3.613 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.679 -2.239 -4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.477 -0.816 -5.781 1.00 0.00 H new ATOM 0 HD1 PHE A 74 17.317 -3.115 -4.808 1.00 0.00 H new ATOM 0 HD2 PHE A 74 15.236 -1.018 -7.942 1.00 0.00 H new ATOM 0 HE1 PHE A 74 18.608 -4.375 -6.517 1.00 0.00 H new ATOM 0 HE2 PHE A 74 16.567 -2.242 -9.645 1.00 0.00 H new ATOM 0 HZ PHE A 74 18.194 -3.982 -8.934 1.00 0.00 H new ATOM 1227 N TYR A 75 15.472 1.744 -4.930 1.00 0.00 N ATOM 1228 CA TYR A 75 15.804 3.121 -5.273 1.00 0.00 C ATOM 1229 C TYR A 75 14.618 3.975 -4.848 1.00 0.00 C ATOM 1230 O TYR A 75 13.798 4.364 -5.677 1.00 0.00 O ATOM 1231 CB TYR A 75 16.122 3.265 -6.771 1.00 0.00 C ATOM 1232 CG TYR A 75 17.458 2.676 -7.177 1.00 0.00 C ATOM 1233 CD1 TYR A 75 18.649 3.365 -6.875 1.00 0.00 C ATOM 1234 CD2 TYR A 75 17.512 1.446 -7.858 1.00 0.00 C ATOM 1235 CE1 TYR A 75 19.891 2.832 -7.261 1.00 0.00 C ATOM 1236 CE2 TYR A 75 18.749 0.907 -8.250 1.00 0.00 C ATOM 1237 CZ TYR A 75 19.946 1.602 -7.958 1.00 0.00 C ATOM 1238 OH TYR A 75 21.152 1.110 -8.349 1.00 0.00 O ATOM 0 H TYR A 75 14.469 1.563 -4.977 1.00 0.00 H new ATOM 0 HA TYR A 75 16.706 3.448 -4.755 1.00 0.00 H new ATOM 0 HB2 TYR A 75 15.333 2.782 -7.347 1.00 0.00 H new ATOM 0 HB3 TYR A 75 16.107 4.322 -7.035 1.00 0.00 H new ATOM 0 HD1 TYR A 75 18.608 4.305 -6.345 1.00 0.00 H new ATOM 0 HD2 TYR A 75 16.599 0.914 -8.080 1.00 0.00 H new ATOM 0 HE1 TYR A 75 20.803 3.361 -7.026 1.00 0.00 H new ATOM 0 HE2 TYR A 75 18.786 -0.037 -8.774 1.00 0.00 H new ATOM 0 HH TYR A 75 21.016 0.374 -8.981 1.00 0.00 H new ATOM 1248 N ASP A 76 14.479 4.168 -3.532 1.00 0.00 N ATOM 1249 CA ASP A 76 13.365 4.818 -2.821 1.00 0.00 C ATOM 1250 C ASP A 76 12.044 4.044 -2.898 1.00 0.00 C ATOM 1251 O ASP A 76 11.327 3.962 -1.900 1.00 0.00 O ATOM 1252 CB ASP A 76 13.179 6.280 -3.264 1.00 0.00 C ATOM 1253 CG ASP A 76 11.961 6.933 -2.589 1.00 0.00 C ATOM 1254 OD1 ASP A 76 12.035 7.258 -1.383 1.00 0.00 O ATOM 1255 OD2 ASP A 76 10.944 7.164 -3.282 1.00 0.00 O ATOM 0 H ASP A 76 15.198 3.850 -2.882 1.00 0.00 H new ATOM 0 HA ASP A 76 13.655 4.813 -1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.077 6.849 -3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.058 6.319 -4.347 1.00 0.00 H new ATOM 1260 N LYS A 77 11.722 3.438 -4.043 1.00 0.00 N ATOM 1261 CA LYS A 77 10.459 2.740 -4.244 1.00 0.00 C ATOM 1262 C LYS A 77 10.564 1.340 -3.642 1.00 0.00 C ATOM 1263 O LYS A 77 11.562 0.661 -3.909 1.00 0.00 O ATOM 1264 CB LYS A 77 10.095 2.685 -5.742 1.00 0.00 C ATOM 1265 CG LYS A 77 10.114 4.051 -6.454 1.00 0.00 C ATOM 1266 CD LYS A 77 9.272 5.137 -5.766 1.00 0.00 C ATOM 1267 CE LYS A 77 9.544 6.509 -6.399 1.00 0.00 C ATOM 1268 NZ LYS A 77 9.231 7.613 -5.458 1.00 0.00 N ATOM 0 H LYS A 77 12.335 3.420 -4.858 1.00 0.00 H new ATOM 0 HA LYS A 77 9.658 3.282 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.791 2.016 -6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.101 2.249 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.145 4.397 -6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.753 3.920 -7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.213 4.894 -5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.506 5.168 -4.702 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.590 6.571 -6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.945 6.619 -7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.536 8.518 -5.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.206 7.640 -5.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.731 7.456 -4.560 1.00 0.00 H new ATOM 1282 N PRO A 78 9.576 0.889 -2.848 1.00 0.00 N ATOM 1283 CA PRO A 78 9.555 -0.469 -2.337 1.00 0.00 C ATOM 1284 C PRO A 78 9.319 -1.419 -3.510 1.00 0.00 C ATOM 1285 O PRO A 78 8.331 -1.287 -4.239 1.00 0.00 O ATOM 1286 CB PRO A 78 8.428 -0.511 -1.302 1.00 0.00 C ATOM 1287 CG PRO A 78 7.468 0.585 -1.762 1.00 0.00 C ATOM 1288 CD PRO A 78 8.390 1.616 -2.412 1.00 0.00 C ATOM 0 HA PRO A 78 10.488 -0.774 -1.864 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.941 -1.486 -1.281 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.802 -0.319 -0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.731 0.203 -2.469 1.00 0.00 H new ATOM 0 HG3 PRO A 78 6.915 1.012 -0.925 1.00 0.00 H new ATOM 0 HD2 PRO A 78 7.898 2.099 -3.256 1.00 0.00 H new ATOM 0 HD3 PRO A 78 8.654 2.402 -1.704 1.00 0.00 H new ATOM 1296 N MET A 79 10.225 -2.375 -3.696 1.00 0.00 N ATOM 1297 CA MET A 79 10.087 -3.418 -4.701 1.00 0.00 C ATOM 1298 C MET A 79 8.818 -4.205 -4.415 1.00 0.00 C ATOM 1299 O MET A 79 8.551 -4.550 -3.262 1.00 0.00 O ATOM 1300 CB MET A 79 11.298 -4.355 -4.645 1.00 0.00 C ATOM 1301 CG MET A 79 12.574 -3.633 -5.062 1.00 0.00 C ATOM 1302 SD MET A 79 12.733 -3.338 -6.845 1.00 0.00 S ATOM 1303 CE MET A 79 13.992 -4.585 -7.219 1.00 0.00 C ATOM 0 H MET A 79 11.082 -2.446 -3.147 1.00 0.00 H new ATOM 0 HA MET A 79 10.032 -2.971 -5.694 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.412 -4.746 -3.634 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.130 -5.210 -5.300 1.00 0.00 H new ATOM 0 HG2 MET A 79 12.618 -2.675 -4.544 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.431 -4.217 -4.727 1.00 0.00 H new ATOM 0 HE1 MET A 79 14.380 -4.420 -8.224 1.00 0.00 H new ATOM 0 HE2 MET A 79 14.806 -4.508 -6.498 1.00 0.00 H new ATOM 0 HE3 MET A 79 13.548 -5.579 -7.160 1.00 0.00 H new ATOM 1313 N GLN A 80 8.073 -4.541 -5.463 1.00 0.00 N ATOM 1314 CA GLN A 80 6.954 -5.461 -5.375 1.00 0.00 C ATOM 1315 C GLN A 80 7.402 -6.664 -6.187 1.00 0.00 C ATOM 1316 O GLN A 80 7.806 -6.515 -7.341 1.00 0.00 O ATOM 1317 CB GLN A 80 5.678 -4.791 -5.903 1.00 0.00 C ATOM 1318 CG GLN A 80 5.211 -3.663 -4.966 1.00 0.00 C ATOM 1319 CD GLN A 80 3.939 -2.964 -5.455 1.00 0.00 C ATOM 1320 OE1 GLN A 80 2.983 -3.595 -5.902 1.00 0.00 O ATOM 1321 NE2 GLN A 80 3.885 -1.643 -5.371 1.00 0.00 N ATOM 0 H GLN A 80 8.233 -4.178 -6.402 1.00 0.00 H new ATOM 0 HA GLN A 80 6.700 -5.762 -4.359 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.862 -4.387 -6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.888 -5.535 -6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.033 -4.074 -3.972 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.009 -2.926 -4.868 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.680 -1.123 -5.000 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.049 -1.146 -5.678 1.00 0.00 H new ATOM 1330 N ILE A 81 7.411 -7.840 -5.570 1.00 0.00 N ATOM 1331 CA ILE A 81 8.016 -9.037 -6.132 1.00 0.00 C ATOM 1332 C ILE A 81 7.011 -10.183 -5.983 1.00 0.00 C ATOM 1333 O ILE A 81 6.194 -10.189 -5.058 1.00 0.00 O ATOM 1334 CB ILE A 81 9.381 -9.329 -5.442 1.00 0.00 C ATOM 1335 CG1 ILE A 81 10.228 -8.053 -5.198 1.00 0.00 C ATOM 1336 CG2 ILE A 81 10.206 -10.352 -6.247 1.00 0.00 C ATOM 1337 CD1 ILE A 81 11.670 -8.302 -4.745 1.00 0.00 C ATOM 0 H ILE A 81 6.992 -7.989 -4.652 1.00 0.00 H new ATOM 0 HA ILE A 81 8.240 -8.908 -7.191 1.00 0.00 H new ATOM 0 HB ILE A 81 9.134 -9.747 -4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.249 -7.469 -6.118 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.728 -7.443 -4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.153 -10.535 -5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 81 9.650 -11.286 -6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 81 10.399 -9.959 -7.245 1.00 0.00 H new ATOM 0 HD11 ILE A 81 12.176 -7.347 -4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.666 -8.855 -3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 81 12.195 -8.881 -5.505 1.00 0.00 H new ATOM 1349 N ALA A 82 7.074 -11.159 -6.884 1.00 0.00 N ATOM 1350 CA ALA A 82 6.341 -12.413 -6.822 1.00 0.00 C ATOM 1351 C ALA A 82 7.214 -13.505 -7.443 1.00 0.00 C ATOM 1352 O ALA A 82 8.236 -13.218 -8.073 1.00 0.00 O ATOM 1353 CB ALA A 82 5.013 -12.276 -7.579 1.00 0.00 C ATOM 0 H ALA A 82 7.665 -11.091 -7.713 1.00 0.00 H new ATOM 0 HA ALA A 82 6.111 -12.674 -5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.467 -13.218 -7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.415 -11.486 -7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.212 -12.026 -8.621 1.00 0.00 H new ATOM 1359 N TYR A 83 6.816 -14.762 -7.264 1.00 0.00 N ATOM 1360 CA TYR A 83 7.442 -15.883 -7.952 1.00 0.00 C ATOM 1361 C TYR A 83 6.903 -15.949 -9.384 1.00 0.00 C ATOM 1362 O TYR A 83 5.920 -15.287 -9.733 1.00 0.00 O ATOM 1363 CB TYR A 83 7.194 -17.187 -7.175 1.00 0.00 C ATOM 1364 CG TYR A 83 5.735 -17.518 -6.920 1.00 0.00 C ATOM 1365 CD1 TYR A 83 5.094 -17.026 -5.764 1.00 0.00 C ATOM 1366 CD2 TYR A 83 5.019 -18.317 -7.832 1.00 0.00 C ATOM 1367 CE1 TYR A 83 3.747 -17.335 -5.519 1.00 0.00 C ATOM 1368 CE2 TYR A 83 3.668 -18.626 -7.594 1.00 0.00 C ATOM 1369 CZ TYR A 83 3.025 -18.137 -6.431 1.00 0.00 C ATOM 1370 OH TYR A 83 1.718 -18.434 -6.180 1.00 0.00 O ATOM 0 H TYR A 83 6.054 -15.029 -6.641 1.00 0.00 H new ATOM 0 HA TYR A 83 8.522 -15.744 -8.001 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.646 -18.011 -7.726 1.00 0.00 H new ATOM 0 HB3 TYR A 83 7.709 -17.124 -6.216 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.641 -16.410 -5.066 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.509 -18.694 -8.717 1.00 0.00 H new ATOM 0 HE1 TYR A 83 3.261 -16.959 -4.631 1.00 0.00 H new ATOM 0 HE2 TYR A 83 3.121 -19.236 -8.298 1.00 0.00 H new ATOM 0 HH TYR A 83 1.365 -18.993 -6.903 1.00 0.00 H new