USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 662 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 Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -154:sc= 0.957 (180deg=0.476) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -173:sc= -0.956 (180deg=-1.17) USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.025) USER MOD Single : A 27 MET CE :methyl -170:sc= -0.0558 (180deg=-0.252) USER MOD Single : A 28 GLN : amide:sc= -0.0552 X(o=-0.055,f=-0.33) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.204 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00447) USER MOD Single : A 45 TYR OH : rot -130:sc= 0.756 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.127 K(o=0.13,f=-3.9!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -3.54! C(o=-3.5!,f=-2.3!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.5 K(o=-0.5,f=-1.3) USER MOD Single : A 76 HIS : no HD1:sc= -0.19 K(o=-0.19,f=-0.69) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0479) USER MOD ----------------------------------------------------------------- ATOM 97 N LEU A 7 10.032 13.266 -6.124 1.00 0.00 N ATOM 98 CA LEU A 7 9.341 14.471 -6.599 1.00 0.00 C ATOM 99 C LEU A 7 10.155 15.703 -6.161 1.00 0.00 C ATOM 100 O LEU A 7 10.201 16.034 -4.967 1.00 0.00 O ATOM 101 CB LEU A 7 7.879 14.461 -6.034 1.00 0.00 C ATOM 102 CG LEU A 7 6.822 15.410 -6.704 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.374 14.957 -6.375 1.00 0.00 C ATOM 104 CD2 LEU A 7 7.016 16.881 -6.287 1.00 0.00 C ATOM 0 HA LEU A 7 9.266 14.502 -7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.502 13.441 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.929 14.712 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 7 6.980 15.341 -7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.664 15.633 -6.852 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.217 13.944 -6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.223 14.976 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.263 17.500 -6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.913 16.969 -5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.009 17.216 -6.586 1.00 0.00 H new ATOM 116 N ASN A 8 10.820 16.355 -7.134 1.00 0.00 N ATOM 117 CA ASN A 8 11.699 17.520 -6.882 1.00 0.00 C ATOM 118 C ASN A 8 11.123 18.793 -7.535 1.00 0.00 C ATOM 119 O ASN A 8 10.956 19.829 -6.879 1.00 0.00 O ATOM 120 CB ASN A 8 13.133 17.248 -7.419 1.00 0.00 C ATOM 121 CG ASN A 8 13.829 16.052 -6.756 1.00 0.00 C ATOM 122 OD1 ASN A 8 13.576 15.727 -5.597 1.00 0.00 O ATOM 123 ND2 ASN A 8 14.718 15.396 -7.487 1.00 0.00 N ATOM 0 H ASN A 8 10.765 16.091 -8.118 1.00 0.00 H new ATOM 0 HA ASN A 8 11.751 17.676 -5.804 1.00 0.00 H new ATOM 0 HB2 ASN A 8 13.081 17.075 -8.494 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.742 18.139 -7.268 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.214 14.597 -7.091 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.906 15.689 -8.446 1.00 0.00 H new ATOM 130 N ASN A 9 10.828 18.704 -8.847 1.00 0.00 N ATOM 131 CA ASN A 9 10.291 19.831 -9.647 1.00 0.00 C ATOM 132 C ASN A 9 8.751 19.794 -9.638 1.00 0.00 C ATOM 133 O ASN A 9 8.129 19.526 -10.676 1.00 0.00 O ATOM 134 CB ASN A 9 10.844 19.767 -11.104 1.00 0.00 C ATOM 135 CG ASN A 9 12.365 19.933 -11.208 1.00 0.00 C ATOM 136 OD1 ASN A 9 12.873 21.054 -11.294 1.00 0.00 O ATOM 137 ND2 ASN A 9 13.100 18.825 -11.230 1.00 0.00 N ATOM 0 H ASN A 9 10.955 17.848 -9.386 1.00 0.00 H new ATOM 0 HA ASN A 9 10.614 20.773 -9.203 1.00 0.00 H new ATOM 0 HB2 ASN A 9 10.563 18.811 -11.545 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.364 20.545 -11.697 1.00 0.00 H new ATOM 0 HD21 ASN A 9 14.114 18.887 -11.320 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.650 17.913 -11.157 1.00 0.00 H new ATOM 144 N GLU A 10 8.155 20.072 -8.449 1.00 0.00 N ATOM 145 CA GLU A 10 6.690 20.015 -8.229 1.00 0.00 C ATOM 146 C GLU A 10 5.931 20.855 -9.261 1.00 0.00 C ATOM 147 O GLU A 10 4.903 20.416 -9.773 1.00 0.00 O ATOM 148 CB GLU A 10 6.305 20.478 -6.788 1.00 0.00 C ATOM 149 CG GLU A 10 4.803 20.282 -6.452 1.00 0.00 C ATOM 150 CD GLU A 10 4.421 20.624 -5.004 1.00 0.00 C ATOM 151 OE1 GLU A 10 4.513 19.732 -4.122 1.00 0.00 O ATOM 152 OE2 GLU A 10 4.032 21.782 -4.738 1.00 0.00 O ATOM 0 H GLU A 10 8.679 20.342 -7.617 1.00 0.00 H new ATOM 0 HA GLU A 10 6.399 18.971 -8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.905 19.925 -6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.560 21.532 -6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.210 20.900 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.532 19.245 -6.650 1.00 0.00 H new ATOM 159 N GLU A 11 6.502 22.027 -9.595 1.00 0.00 N ATOM 160 CA GLU A 11 5.913 22.987 -10.543 1.00 0.00 C ATOM 161 C GLU A 11 5.586 22.340 -11.904 1.00 0.00 C ATOM 162 O GLU A 11 4.535 22.607 -12.478 1.00 0.00 O ATOM 163 CB GLU A 11 6.873 24.183 -10.757 1.00 0.00 C ATOM 164 CG GLU A 11 6.247 25.339 -11.573 1.00 0.00 C ATOM 165 CD GLU A 11 7.186 26.531 -11.781 1.00 0.00 C ATOM 166 OE1 GLU A 11 7.224 27.426 -10.912 1.00 0.00 O ATOM 167 OE2 GLU A 11 7.907 26.563 -12.800 1.00 0.00 O ATOM 0 H GLU A 11 7.394 22.336 -9.210 1.00 0.00 H new ATOM 0 HA GLU A 11 4.977 23.334 -10.106 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.188 24.564 -9.786 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.770 23.832 -11.268 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.938 24.958 -12.546 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.346 25.683 -11.065 1.00 0.00 H new ATOM 174 N LYS A 12 6.483 21.461 -12.378 1.00 0.00 N ATOM 175 CA LYS A 12 6.340 20.795 -13.688 1.00 0.00 C ATOM 176 C LYS A 12 5.209 19.756 -13.659 1.00 0.00 C ATOM 177 O LYS A 12 4.525 19.546 -14.668 1.00 0.00 O ATOM 178 CB LYS A 12 7.673 20.132 -14.109 1.00 0.00 C ATOM 179 CG LYS A 12 8.885 21.091 -14.069 1.00 0.00 C ATOM 180 CD LYS A 12 10.150 20.516 -14.748 1.00 0.00 C ATOM 181 CE LYS A 12 10.000 20.405 -16.270 1.00 0.00 C ATOM 182 NZ LYS A 12 11.229 19.884 -16.919 1.00 0.00 N ATOM 0 H LYS A 12 7.325 21.191 -11.869 1.00 0.00 H new ATOM 0 HA LYS A 12 6.082 21.555 -14.425 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.870 19.284 -13.453 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.568 19.735 -15.119 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.614 22.027 -14.557 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.116 21.329 -13.031 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.004 21.152 -14.516 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.364 19.531 -14.334 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.162 19.749 -16.504 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.761 21.385 -16.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.272 20.221 -17.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.065 20.221 -16.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.212 18.844 -16.910 1.00 0.00 H new ATOM 196 N LEU A 13 5.024 19.123 -12.490 1.00 0.00 N ATOM 197 CA LEU A 13 3.925 18.169 -12.258 1.00 0.00 C ATOM 198 C LEU A 13 2.573 18.896 -12.203 1.00 0.00 C ATOM 199 O LEU A 13 1.553 18.370 -12.662 1.00 0.00 O ATOM 200 CB LEU A 13 4.151 17.360 -10.960 1.00 0.00 C ATOM 201 CG LEU A 13 5.270 16.270 -11.029 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.683 16.849 -10.871 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.023 15.138 -10.033 1.00 0.00 C ATOM 0 H LEU A 13 5.630 19.257 -11.680 1.00 0.00 H new ATOM 0 HA LEU A 13 3.911 17.472 -13.096 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.396 18.056 -10.157 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.213 16.876 -10.687 1.00 0.00 H new ATOM 0 HG LEU A 13 5.216 15.851 -12.034 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.415 16.043 -10.928 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.873 17.568 -11.668 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.766 17.347 -9.905 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.823 14.402 -10.113 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.002 15.542 -9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.068 14.661 -10.253 1.00 0.00 H new ATOM 215 N VAL A 14 2.589 20.105 -11.624 1.00 0.00 N ATOM 216 CA VAL A 14 1.421 20.992 -11.569 1.00 0.00 C ATOM 217 C VAL A 14 1.015 21.412 -12.987 1.00 0.00 C ATOM 218 O VAL A 14 -0.149 21.280 -13.360 1.00 0.00 O ATOM 219 CB VAL A 14 1.718 22.261 -10.689 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.526 23.255 -10.675 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.107 21.828 -9.263 1.00 0.00 C ATOM 0 H VAL A 14 3.419 20.496 -11.178 1.00 0.00 H new ATOM 0 HA VAL A 14 0.597 20.447 -11.108 1.00 0.00 H new ATOM 0 HB VAL A 14 2.557 22.794 -11.136 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.777 24.115 -10.055 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.319 23.589 -11.692 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.356 22.760 -10.269 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.312 22.711 -8.658 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.287 21.265 -8.817 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.998 21.201 -9.303 1.00 0.00 H new ATOM 231 N LYS A 15 2.013 21.868 -13.771 1.00 0.00 N ATOM 232 CA LYS A 15 1.834 22.291 -15.171 1.00 0.00 C ATOM 233 C LYS A 15 1.334 21.127 -16.038 1.00 0.00 C ATOM 234 O LYS A 15 0.521 21.327 -16.944 1.00 0.00 O ATOM 235 CB LYS A 15 3.162 22.852 -15.745 1.00 0.00 C ATOM 236 CG LYS A 15 3.645 24.167 -15.085 1.00 0.00 C ATOM 237 CD LYS A 15 4.976 24.692 -15.682 1.00 0.00 C ATOM 238 CE LYS A 15 4.853 25.085 -17.169 1.00 0.00 C ATOM 239 NZ LYS A 15 6.145 25.554 -17.732 1.00 0.00 N ATOM 0 H LYS A 15 2.976 21.953 -13.444 1.00 0.00 H new ATOM 0 HA LYS A 15 1.082 23.080 -15.189 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.940 22.097 -15.631 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.037 23.022 -16.814 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.875 24.930 -15.202 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.773 24.004 -14.015 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.309 25.557 -15.109 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.743 23.925 -15.576 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.498 24.228 -17.742 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.105 25.871 -17.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.016 25.807 -18.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.472 26.388 -17.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.853 24.796 -17.655 1.00 0.00 H new ATOM 253 N LYS A 16 1.811 19.907 -15.733 1.00 0.00 N ATOM 254 CA LYS A 16 1.376 18.697 -16.440 1.00 0.00 C ATOM 255 C LYS A 16 -0.076 18.362 -16.092 1.00 0.00 C ATOM 256 O LYS A 16 -0.832 17.943 -16.949 1.00 0.00 O ATOM 257 CB LYS A 16 2.274 17.487 -16.111 1.00 0.00 C ATOM 258 CG LYS A 16 2.054 16.259 -17.038 1.00 0.00 C ATOM 259 CD LYS A 16 2.411 16.562 -18.512 1.00 0.00 C ATOM 260 CE LYS A 16 3.902 16.907 -18.694 1.00 0.00 C ATOM 261 NZ LYS A 16 4.215 17.354 -20.070 1.00 0.00 N ATOM 0 H LYS A 16 2.499 19.737 -15.000 1.00 0.00 H new ATOM 0 HA LYS A 16 1.457 18.904 -17.507 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.318 17.795 -16.176 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.095 17.186 -15.079 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.661 15.426 -16.684 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.013 15.943 -16.977 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.162 15.698 -19.129 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.802 17.393 -18.867 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.179 17.690 -17.989 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.506 16.032 -18.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.229 17.574 -20.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.976 16.598 -20.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.660 18.205 -20.293 1.00 0.00 H new ATOM 275 N ALA A 17 -0.443 18.567 -14.821 1.00 0.00 N ATOM 276 CA ALA A 17 -1.821 18.369 -14.353 1.00 0.00 C ATOM 277 C ALA A 17 -2.753 19.422 -14.974 1.00 0.00 C ATOM 278 O ALA A 17 -3.936 19.166 -15.156 1.00 0.00 O ATOM 279 CB ALA A 17 -1.881 18.405 -12.826 1.00 0.00 C ATOM 0 H ALA A 17 0.202 18.873 -14.092 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.162 17.385 -14.675 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.910 18.257 -12.499 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.253 17.613 -12.418 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.523 19.371 -12.470 1.00 0.00 H new ATOM 285 N LEU A 18 -2.195 20.604 -15.312 1.00 0.00 N ATOM 286 CA LEU A 18 -2.930 21.642 -16.056 1.00 0.00 C ATOM 287 C LEU A 18 -3.184 21.173 -17.495 1.00 0.00 C ATOM 288 O LEU A 18 -4.259 21.419 -18.047 1.00 0.00 O ATOM 289 CB LEU A 18 -2.173 23.004 -16.067 1.00 0.00 C ATOM 290 CG LEU A 18 -1.810 23.602 -14.669 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.114 24.975 -14.782 1.00 0.00 C ATOM 292 CD2 LEU A 18 -3.032 23.667 -13.732 1.00 0.00 C ATOM 0 H LEU A 18 -1.236 20.861 -15.080 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.880 21.800 -15.546 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.252 22.880 -16.636 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.783 23.731 -16.603 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.092 22.916 -14.220 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.882 25.349 -13.785 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.192 24.870 -15.353 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.776 25.678 -15.288 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.733 24.089 -12.773 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.801 24.295 -14.181 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.427 22.663 -13.579 1.00 0.00 H new ATOM 304 N GLU A 19 -2.175 20.504 -18.103 1.00 0.00 N ATOM 305 CA GLU A 19 -2.295 19.955 -19.468 1.00 0.00 C ATOM 306 C GLU A 19 -3.330 18.816 -19.513 1.00 0.00 C ATOM 307 O GLU A 19 -4.341 18.926 -20.203 1.00 0.00 O ATOM 308 CB GLU A 19 -0.917 19.464 -20.015 1.00 0.00 C ATOM 309 CG GLU A 19 0.192 20.536 -20.054 1.00 0.00 C ATOM 310 CD GLU A 19 -0.245 21.841 -20.749 1.00 0.00 C ATOM 311 OE1 GLU A 19 -0.369 21.853 -21.999 1.00 0.00 O ATOM 312 OE2 GLU A 19 -0.475 22.860 -20.052 1.00 0.00 O ATOM 0 H GLU A 19 -1.269 20.333 -17.666 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.640 20.763 -20.114 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.575 18.632 -19.399 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.061 19.076 -21.023 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.505 20.763 -19.035 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.061 20.131 -20.571 1.00 0.00 H new ATOM 319 N ILE A 20 -3.063 17.751 -18.738 1.00 0.00 N ATOM 320 CA ILE A 20 -3.885 16.532 -18.694 1.00 0.00 C ATOM 321 C ILE A 20 -5.282 16.849 -18.138 1.00 0.00 C ATOM 322 O ILE A 20 -6.280 16.604 -18.802 1.00 0.00 O ATOM 323 CB ILE A 20 -3.205 15.398 -17.825 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.711 15.168 -18.249 1.00 0.00 C ATOM 325 CG2 ILE A 20 -4.009 14.077 -17.906 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.497 14.830 -19.714 1.00 0.00 C ATOM 0 H ILE A 20 -2.256 17.714 -18.115 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.977 16.163 -19.715 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.208 15.734 -16.788 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.141 16.067 -18.014 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.299 14.361 -17.643 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.519 13.315 -17.300 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.020 14.243 -17.533 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.055 13.742 -18.942 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.433 14.691 -19.904 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.032 13.912 -19.958 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.872 15.644 -20.334 1.00 0.00 H new ATOM 338 N GLY A 21 -5.320 17.443 -16.936 1.00 0.00 N ATOM 339 CA GLY A 21 -6.575 17.769 -16.255 1.00 0.00 C ATOM 340 C GLY A 21 -7.386 18.825 -16.998 1.00 0.00 C ATOM 341 O GLY A 21 -8.620 18.759 -17.026 1.00 0.00 O ATOM 0 H GLY A 21 -4.485 17.708 -16.414 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.173 16.864 -16.150 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.356 18.125 -15.248 1.00 0.00 H new ATOM 345 N GLY A 22 -6.674 19.795 -17.611 1.00 0.00 N ATOM 346 CA GLY A 22 -7.312 20.857 -18.391 1.00 0.00 C ATOM 347 C GLY A 22 -7.989 20.336 -19.652 1.00 0.00 C ATOM 348 O GLY A 22 -9.156 20.659 -19.916 1.00 0.00 O ATOM 0 H GLY A 22 -5.657 19.857 -17.576 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.051 21.364 -17.770 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.563 21.600 -18.666 1.00 0.00 H new ATOM 352 N LYS A 23 -7.264 19.496 -20.422 1.00 0.00 N ATOM 353 CA LYS A 23 -7.771 18.948 -21.696 1.00 0.00 C ATOM 354 C LYS A 23 -8.834 17.876 -21.443 1.00 0.00 C ATOM 355 O LYS A 23 -9.747 17.722 -22.243 1.00 0.00 O ATOM 356 CB LYS A 23 -6.640 18.364 -22.581 1.00 0.00 C ATOM 357 CG LYS A 23 -6.020 17.041 -22.072 1.00 0.00 C ATOM 358 CD LYS A 23 -5.062 16.417 -23.098 1.00 0.00 C ATOM 359 CE LYS A 23 -4.374 15.138 -22.585 1.00 0.00 C ATOM 360 NZ LYS A 23 -3.456 14.555 -23.603 1.00 0.00 N ATOM 0 H LYS A 23 -6.324 19.183 -20.181 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.218 19.782 -22.236 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.034 18.199 -23.584 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.848 19.108 -22.668 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.483 17.228 -21.142 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.816 16.333 -21.843 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.615 16.184 -24.008 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.300 17.149 -23.367 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.813 15.366 -21.679 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.131 14.402 -22.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.013 13.696 -23.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.995 14.314 -24.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.718 15.248 -23.842 1.00 0.00 H new ATOM 374 N MET A 24 -8.691 17.117 -20.332 1.00 0.00 N ATOM 375 CA MET A 24 -9.682 16.099 -19.938 1.00 0.00 C ATOM 376 C MET A 24 -11.011 16.780 -19.622 1.00 0.00 C ATOM 377 O MET A 24 -12.023 16.389 -20.173 1.00 0.00 O ATOM 378 CB MET A 24 -9.219 15.229 -18.736 1.00 0.00 C ATOM 379 CG MET A 24 -8.210 14.122 -19.084 1.00 0.00 C ATOM 380 SD MET A 24 -8.028 12.901 -17.757 1.00 0.00 S ATOM 381 CE MET A 24 -7.855 13.943 -16.308 1.00 0.00 C ATOM 0 H MET A 24 -7.898 17.193 -19.695 1.00 0.00 H new ATOM 0 HA MET A 24 -9.799 15.417 -20.780 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.774 15.882 -17.985 1.00 0.00 H new ATOM 0 HB3 MET A 24 -10.096 14.770 -18.280 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.530 13.617 -19.995 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.240 14.573 -19.293 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.612 13.326 -15.443 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.057 14.667 -16.473 1.00 0.00 H new ATOM 0 HE3 MET A 24 -8.791 14.471 -16.126 1.00 0.00 H new ATOM 391 N ALA A 25 -10.968 17.834 -18.775 1.00 0.00 N ATOM 392 CA ALA A 25 -12.152 18.651 -18.428 1.00 0.00 C ATOM 393 C ALA A 25 -12.823 19.205 -19.689 1.00 0.00 C ATOM 394 O ALA A 25 -14.039 19.078 -19.867 1.00 0.00 O ATOM 395 CB ALA A 25 -11.757 19.799 -17.485 1.00 0.00 C ATOM 0 H ALA A 25 -10.112 18.141 -18.314 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.867 18.008 -17.915 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.640 20.389 -17.240 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.331 19.388 -16.570 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.020 20.435 -17.975 1.00 0.00 H new ATOM 401 N LYS A 26 -11.981 19.751 -20.575 1.00 0.00 N ATOM 402 CA LYS A 26 -12.394 20.317 -21.863 1.00 0.00 C ATOM 403 C LYS A 26 -13.225 19.295 -22.668 1.00 0.00 C ATOM 404 O LYS A 26 -14.411 19.543 -22.938 1.00 0.00 O ATOM 405 CB LYS A 26 -11.132 20.784 -22.633 1.00 0.00 C ATOM 406 CG LYS A 26 -11.396 21.516 -23.965 1.00 0.00 C ATOM 407 CD LYS A 26 -10.101 22.104 -24.594 1.00 0.00 C ATOM 408 CE LYS A 26 -9.047 21.031 -24.928 1.00 0.00 C ATOM 409 NZ LYS A 26 -9.549 20.053 -25.925 1.00 0.00 N ATOM 0 H LYS A 26 -10.976 19.812 -20.413 1.00 0.00 H new ATOM 0 HA LYS A 26 -13.039 21.181 -21.701 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.556 21.444 -21.984 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.509 19.913 -22.835 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.856 20.824 -24.670 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.111 22.321 -23.797 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.360 22.645 -25.504 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.667 22.829 -23.905 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.148 21.513 -25.313 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.762 20.506 -24.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.788 19.389 -26.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.350 19.527 -25.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.860 20.557 -26.780 1.00 0.00 H new ATOM 423 N MET A 27 -12.612 18.112 -22.919 1.00 0.00 N ATOM 424 CA MET A 27 -13.223 16.990 -23.677 1.00 0.00 C ATOM 425 C MET A 27 -14.480 16.416 -22.981 1.00 0.00 C ATOM 426 O MET A 27 -15.414 15.965 -23.657 1.00 0.00 O ATOM 427 CB MET A 27 -12.186 15.851 -23.882 1.00 0.00 C ATOM 428 CG MET A 27 -10.983 16.215 -24.772 1.00 0.00 C ATOM 429 SD MET A 27 -9.858 14.820 -25.057 1.00 0.00 S ATOM 430 CE MET A 27 -9.283 14.435 -23.401 1.00 0.00 C ATOM 0 H MET A 27 -11.666 17.907 -22.597 1.00 0.00 H new ATOM 0 HA MET A 27 -13.533 17.396 -24.640 1.00 0.00 H new ATOM 0 HB2 MET A 27 -11.815 15.539 -22.906 1.00 0.00 H new ATOM 0 HB3 MET A 27 -12.695 14.992 -24.319 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.347 16.582 -25.732 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.429 17.031 -24.308 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.460 13.722 -23.458 1.00 0.00 H new ATOM 0 HE2 MET A 27 -8.939 15.348 -22.914 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.100 14.001 -22.824 1.00 0.00 H new ATOM 440 N GLN A 28 -14.482 16.423 -21.633 1.00 0.00 N ATOM 441 CA GLN A 28 -15.638 15.968 -20.826 1.00 0.00 C ATOM 442 C GLN A 28 -16.814 16.951 -20.969 1.00 0.00 C ATOM 443 O GLN A 28 -17.974 16.585 -20.750 1.00 0.00 O ATOM 444 CB GLN A 28 -15.234 15.781 -19.330 1.00 0.00 C ATOM 445 CG GLN A 28 -14.234 14.624 -19.071 1.00 0.00 C ATOM 446 CD GLN A 28 -14.766 13.239 -19.455 1.00 0.00 C ATOM 447 OE1 GLN A 28 -15.966 12.969 -19.382 1.00 0.00 O ATOM 448 NE2 GLN A 28 -13.876 12.350 -19.880 1.00 0.00 N ATOM 0 H GLN A 28 -13.690 16.741 -21.074 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.961 14.998 -21.203 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.796 16.711 -18.967 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.135 15.603 -18.743 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.319 14.817 -19.630 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.967 14.619 -18.014 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.889 12.601 -19.930 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.180 11.416 -20.156 1.00 0.00 H new ATOM 457 N GLY A 29 -16.492 18.201 -21.339 1.00 0.00 N ATOM 458 CA GLY A 29 -17.484 19.213 -21.708 1.00 0.00 C ATOM 459 C GLY A 29 -17.433 20.401 -20.782 1.00 0.00 C ATOM 460 O GLY A 29 -18.473 20.844 -20.280 1.00 0.00 O ATOM 0 H GLY A 29 -15.530 18.536 -21.389 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.307 19.541 -22.732 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.481 18.773 -21.682 1.00 0.00 H new ATOM 464 N PHE A 30 -16.210 20.931 -20.553 1.00 0.00 N ATOM 465 CA PHE A 30 -15.987 22.030 -19.569 1.00 0.00 C ATOM 466 C PHE A 30 -15.041 23.092 -20.127 1.00 0.00 C ATOM 467 O PHE A 30 -14.135 22.788 -20.901 1.00 0.00 O ATOM 468 CB PHE A 30 -15.431 21.487 -18.217 1.00 0.00 C ATOM 469 CG PHE A 30 -16.395 20.548 -17.489 1.00 0.00 C ATOM 470 CD1 PHE A 30 -17.404 21.061 -16.670 1.00 0.00 C ATOM 471 CD2 PHE A 30 -16.318 19.164 -17.653 1.00 0.00 C ATOM 472 CE1 PHE A 30 -18.295 20.217 -16.039 1.00 0.00 C ATOM 473 CE2 PHE A 30 -17.215 18.326 -17.028 1.00 0.00 C ATOM 474 CZ PHE A 30 -18.200 18.852 -16.222 1.00 0.00 C ATOM 0 H PHE A 30 -15.363 20.622 -21.030 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.958 22.488 -19.383 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.496 20.959 -18.404 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -15.197 22.329 -17.566 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -17.487 22.129 -16.529 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.544 18.744 -18.279 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -19.066 20.624 -15.402 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.146 17.258 -17.170 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.901 18.194 -15.731 1.00 0.00 H new ATOM 484 N ASP A 31 -15.262 24.351 -19.718 1.00 0.00 N ATOM 485 CA ASP A 31 -14.408 25.487 -20.092 1.00 0.00 C ATOM 486 C ASP A 31 -13.658 25.964 -18.841 1.00 0.00 C ATOM 487 O ASP A 31 -14.196 26.760 -18.057 1.00 0.00 O ATOM 488 CB ASP A 31 -15.253 26.654 -20.693 1.00 0.00 C ATOM 489 CG ASP A 31 -16.221 26.206 -21.800 1.00 0.00 C ATOM 490 OD1 ASP A 31 -15.775 25.988 -22.943 1.00 0.00 O ATOM 491 OD2 ASP A 31 -17.435 26.068 -21.522 1.00 0.00 O ATOM 0 H ASP A 31 -16.043 24.610 -19.115 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.700 25.168 -20.857 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.823 27.128 -19.894 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.579 27.410 -21.095 1.00 0.00 H new ATOM 496 N LEU A 32 -12.457 25.408 -18.603 1.00 0.00 N ATOM 497 CA LEU A 32 -11.563 25.913 -17.552 1.00 0.00 C ATOM 498 C LEU A 32 -10.927 27.229 -18.048 1.00 0.00 C ATOM 499 O LEU A 32 -10.222 27.211 -19.069 1.00 0.00 O ATOM 500 CB LEU A 32 -10.470 24.877 -17.165 1.00 0.00 C ATOM 501 CG LEU A 32 -10.975 23.523 -16.553 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.785 22.650 -16.084 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.985 23.751 -15.393 1.00 0.00 C ATOM 0 H LEU A 32 -12.086 24.613 -19.123 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.144 26.094 -16.648 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.883 24.651 -18.055 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.795 25.345 -16.448 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.503 22.989 -17.343 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.161 21.717 -15.664 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.138 22.430 -16.933 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.217 23.187 -15.324 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.309 22.788 -14.998 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.505 24.325 -14.600 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.850 24.300 -15.766 1.00 0.00 H new ATOM 515 N PRO A 33 -11.184 28.390 -17.358 1.00 0.00 N ATOM 516 CA PRO A 33 -10.726 29.712 -17.836 1.00 0.00 C ATOM 517 C PRO A 33 -9.186 29.826 -17.858 1.00 0.00 C ATOM 518 O PRO A 33 -8.499 29.268 -16.991 1.00 0.00 O ATOM 519 CB PRO A 33 -11.370 30.705 -16.829 1.00 0.00 C ATOM 520 CG PRO A 33 -11.581 29.900 -15.581 1.00 0.00 C ATOM 521 CD PRO A 33 -11.914 28.500 -16.055 1.00 0.00 C ATOM 0 HA PRO A 33 -11.020 29.907 -18.867 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.719 31.559 -16.644 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.312 31.099 -17.210 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.687 29.901 -14.957 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.390 30.314 -14.979 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.580 27.745 -15.343 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.988 28.364 -16.184 1.00 0.00 H new ATOM 529 N GLN A 34 -8.661 30.574 -18.844 1.00 0.00 N ATOM 530 CA GLN A 34 -7.217 30.830 -19.013 1.00 0.00 C ATOM 531 C GLN A 34 -6.803 32.090 -18.229 1.00 0.00 C ATOM 532 O GLN A 34 -5.954 32.873 -18.661 1.00 0.00 O ATOM 533 CB GLN A 34 -6.887 30.966 -20.524 1.00 0.00 C ATOM 534 CG GLN A 34 -7.235 29.720 -21.361 1.00 0.00 C ATOM 535 CD GLN A 34 -6.793 29.845 -22.821 1.00 0.00 C ATOM 536 OE1 GLN A 34 -7.538 30.325 -23.675 1.00 0.00 O ATOM 537 NE2 GLN A 34 -5.571 29.424 -23.115 1.00 0.00 N ATOM 0 H GLN A 34 -9.235 31.025 -19.557 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.648 29.991 -18.612 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.427 31.823 -20.927 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.824 31.179 -20.635 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.761 28.845 -20.916 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.311 29.552 -21.325 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.978 29.031 -22.385 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.224 29.493 -24.072 1.00 0.00 H new ATOM 546 N SER A 35 -7.397 32.233 -17.045 1.00 0.00 N ATOM 547 CA SER A 35 -7.167 33.349 -16.121 1.00 0.00 C ATOM 548 C SER A 35 -5.797 33.157 -15.404 1.00 0.00 C ATOM 549 O SER A 35 -5.346 32.022 -15.326 1.00 0.00 O ATOM 550 CB SER A 35 -8.366 33.380 -15.139 1.00 0.00 C ATOM 551 OG SER A 35 -9.597 33.544 -15.824 1.00 0.00 O ATOM 0 H SER A 35 -8.072 31.556 -16.689 1.00 0.00 H new ATOM 0 HA SER A 35 -7.110 34.308 -16.636 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.390 32.455 -14.563 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.233 34.195 -14.427 1.00 0.00 H new ATOM 0 HG SER A 35 -10.332 33.558 -15.176 1.00 0.00 H new ATOM 557 N PRO A 36 -5.173 34.252 -14.805 1.00 0.00 N ATOM 558 CA PRO A 36 -3.740 34.339 -14.381 1.00 0.00 C ATOM 559 C PRO A 36 -2.915 33.012 -14.354 1.00 0.00 C ATOM 560 O PRO A 36 -2.458 32.556 -15.409 1.00 0.00 O ATOM 561 CB PRO A 36 -3.898 34.994 -12.990 1.00 0.00 C ATOM 562 CG PRO A 36 -5.097 35.914 -13.121 1.00 0.00 C ATOM 563 CD PRO A 36 -5.834 35.521 -14.400 1.00 0.00 C ATOM 0 HA PRO A 36 -3.135 34.889 -15.102 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.060 34.243 -12.217 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.003 35.550 -12.712 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.752 35.817 -12.255 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.779 36.956 -13.165 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.900 35.379 -14.222 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.739 36.287 -15.170 1.00 0.00 H new ATOM 571 N GLN A 37 -2.738 32.385 -13.163 1.00 0.00 N ATOM 572 CA GLN A 37 -2.016 31.090 -13.001 1.00 0.00 C ATOM 573 C GLN A 37 -2.681 30.234 -11.878 1.00 0.00 C ATOM 574 O GLN A 37 -3.171 29.142 -12.182 1.00 0.00 O ATOM 575 CB GLN A 37 -0.478 31.267 -12.718 1.00 0.00 C ATOM 576 CG GLN A 37 0.322 32.032 -13.788 1.00 0.00 C ATOM 577 CD GLN A 37 1.803 32.161 -13.438 1.00 0.00 C ATOM 578 OE1 GLN A 37 2.210 33.100 -12.750 1.00 0.00 O ATOM 579 NE2 GLN A 37 2.625 31.244 -13.927 1.00 0.00 N ATOM 0 H GLN A 37 -3.092 32.762 -12.284 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.097 30.569 -13.955 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.361 31.785 -11.766 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.035 30.278 -12.599 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.223 31.520 -14.745 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.105 33.027 -13.913 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.257 30.479 -14.493 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.626 31.303 -13.738 1.00 0.00 H new ATOM 588 N PRO A 38 -2.752 30.716 -10.564 1.00 0.00 N ATOM 589 CA PRO A 38 -3.214 29.858 -9.424 1.00 0.00 C ATOM 590 C PRO A 38 -4.706 29.491 -9.512 1.00 0.00 C ATOM 591 O PRO A 38 -5.136 28.484 -8.958 1.00 0.00 O ATOM 592 CB PRO A 38 -2.922 30.733 -8.179 1.00 0.00 C ATOM 593 CG PRO A 38 -3.014 32.141 -8.685 1.00 0.00 C ATOM 594 CD PRO A 38 -2.436 32.103 -10.080 1.00 0.00 C ATOM 0 HA PRO A 38 -2.706 28.894 -9.409 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.645 30.548 -7.385 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.935 30.522 -7.767 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.047 32.488 -8.697 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.455 32.825 -8.047 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.886 32.862 -10.720 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.362 32.289 -10.073 1.00 0.00 H new ATOM 602 N VAL A 39 -5.467 30.334 -10.222 1.00 0.00 N ATOM 603 CA VAL A 39 -6.900 30.121 -10.494 1.00 0.00 C ATOM 604 C VAL A 39 -7.125 28.936 -11.457 1.00 0.00 C ATOM 605 O VAL A 39 -8.120 28.226 -11.333 1.00 0.00 O ATOM 606 CB VAL A 39 -7.561 31.433 -11.065 1.00 0.00 C ATOM 607 CG1 VAL A 39 -7.749 32.494 -9.952 1.00 0.00 C ATOM 608 CG2 VAL A 39 -6.729 32.007 -12.232 1.00 0.00 C ATOM 0 H VAL A 39 -5.103 31.195 -10.630 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.381 29.874 -9.547 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.547 31.169 -11.448 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.207 33.388 -10.375 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.394 32.091 -9.171 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.779 32.750 -9.526 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.206 32.912 -12.608 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.725 32.245 -11.880 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.667 31.269 -13.032 1.00 0.00 H new ATOM 618 N ARG A 40 -6.184 28.736 -12.408 1.00 0.00 N ATOM 619 CA ARG A 40 -6.205 27.580 -13.335 1.00 0.00 C ATOM 620 C ARG A 40 -5.820 26.296 -12.593 1.00 0.00 C ATOM 621 O ARG A 40 -6.394 25.231 -12.835 1.00 0.00 O ATOM 622 CB ARG A 40 -5.231 27.793 -14.515 1.00 0.00 C ATOM 623 CG ARG A 40 -5.637 28.923 -15.475 1.00 0.00 C ATOM 624 CD ARG A 40 -4.666 29.070 -16.658 1.00 0.00 C ATOM 625 NE ARG A 40 -4.541 27.807 -17.406 1.00 0.00 N ATOM 626 CZ ARG A 40 -3.644 27.563 -18.366 1.00 0.00 C ATOM 627 NH1 ARG A 40 -2.866 28.527 -18.837 1.00 0.00 N ATOM 628 NH2 ARG A 40 -3.574 26.358 -18.891 1.00 0.00 N ATOM 0 H ARG A 40 -5.395 29.365 -12.554 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.218 27.490 -13.726 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.239 28.009 -14.118 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.153 26.863 -15.079 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.640 28.729 -15.855 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.680 29.864 -14.926 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.018 29.857 -17.325 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.686 29.377 -16.292 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.192 27.058 -17.172 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.946 29.474 -18.466 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.187 28.322 -19.570 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.200 25.622 -18.564 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.893 26.160 -19.624 1.00 0.00 H new ATOM 642 N VAL A 41 -4.822 26.434 -11.710 1.00 0.00 N ATOM 643 CA VAL A 41 -4.328 25.355 -10.839 1.00 0.00 C ATOM 644 C VAL A 41 -5.475 24.839 -9.934 1.00 0.00 C ATOM 645 O VAL A 41 -5.711 23.623 -9.822 1.00 0.00 O ATOM 646 CB VAL A 41 -3.086 25.875 -9.996 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.586 24.837 -8.972 1.00 0.00 C ATOM 648 CG2 VAL A 41 -1.929 26.300 -10.939 1.00 0.00 C ATOM 0 H VAL A 41 -4.325 27.315 -11.577 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.988 24.514 -11.444 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.429 26.742 -9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.737 25.246 -8.425 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.388 24.600 -8.273 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.279 23.930 -9.493 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.086 26.654 -10.345 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.616 25.446 -11.539 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.270 27.100 -11.596 1.00 0.00 H new ATOM 658 N LYS A 42 -6.226 25.797 -9.377 1.00 0.00 N ATOM 659 CA LYS A 42 -7.354 25.539 -8.470 1.00 0.00 C ATOM 660 C LYS A 42 -8.571 25.000 -9.272 1.00 0.00 C ATOM 661 O LYS A 42 -9.320 24.161 -8.770 1.00 0.00 O ATOM 662 CB LYS A 42 -7.680 26.846 -7.669 1.00 0.00 C ATOM 663 CG LYS A 42 -8.466 26.663 -6.333 1.00 0.00 C ATOM 664 CD LYS A 42 -9.987 26.430 -6.513 1.00 0.00 C ATOM 665 CE LYS A 42 -10.686 27.581 -7.265 1.00 0.00 C ATOM 666 NZ LYS A 42 -10.605 28.860 -6.521 1.00 0.00 N ATOM 0 H LYS A 42 -6.065 26.790 -9.546 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.093 24.767 -7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.741 27.353 -7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.255 27.509 -8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.043 25.818 -5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.317 27.547 -5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.145 25.499 -7.057 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.449 26.309 -5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.229 27.703 -8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.732 27.323 -7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.116 29.599 -7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.034 28.742 -5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.608 29.137 -6.415 1.00 0.00 H new ATOM 680 N ALA A 43 -8.740 25.475 -10.523 1.00 0.00 N ATOM 681 CA ALA A 43 -9.821 25.013 -11.434 1.00 0.00 C ATOM 682 C ALA A 43 -9.672 23.514 -11.782 1.00 0.00 C ATOM 683 O ALA A 43 -10.646 22.740 -11.715 1.00 0.00 O ATOM 684 CB ALA A 43 -9.844 25.865 -12.717 1.00 0.00 C ATOM 0 H ALA A 43 -8.136 26.187 -10.934 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.769 25.137 -10.911 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.641 25.514 -13.373 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.021 26.909 -12.458 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.886 25.776 -13.230 1.00 0.00 H new ATOM 690 N VAL A 44 -8.433 23.123 -12.134 1.00 0.00 N ATOM 691 CA VAL A 44 -8.075 21.726 -12.437 1.00 0.00 C ATOM 692 C VAL A 44 -8.288 20.847 -11.193 1.00 0.00 C ATOM 693 O VAL A 44 -8.828 19.747 -11.305 1.00 0.00 O ATOM 694 CB VAL A 44 -6.586 21.607 -12.944 1.00 0.00 C ATOM 695 CG1 VAL A 44 -6.137 20.130 -13.072 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.400 22.346 -14.294 1.00 0.00 C ATOM 0 H VAL A 44 -7.649 23.771 -12.216 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.726 21.378 -13.239 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.953 22.083 -12.195 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.106 20.092 -13.424 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.207 19.643 -12.099 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.782 19.614 -13.783 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.365 22.249 -14.622 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.061 21.908 -15.042 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.643 23.401 -14.168 1.00 0.00 H new ATOM 706 N TYR A 45 -7.877 21.372 -10.025 1.00 0.00 N ATOM 707 CA TYR A 45 -8.113 20.738 -8.714 1.00 0.00 C ATOM 708 C TYR A 45 -9.604 20.389 -8.509 1.00 0.00 C ATOM 709 O TYR A 45 -9.924 19.244 -8.181 1.00 0.00 O ATOM 710 CB TYR A 45 -7.582 21.675 -7.593 1.00 0.00 C ATOM 711 CG TYR A 45 -8.159 21.432 -6.187 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.648 20.437 -5.352 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.222 22.210 -5.709 1.00 0.00 C ATOM 714 CE1 TYR A 45 -8.186 20.221 -4.102 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.753 21.996 -4.463 1.00 0.00 C ATOM 716 CZ TYR A 45 -9.232 21.009 -3.666 1.00 0.00 C ATOM 717 OH TYR A 45 -9.776 20.796 -2.432 1.00 0.00 O ATOM 0 H TYR A 45 -7.368 22.254 -9.963 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.570 19.794 -8.673 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.498 21.572 -7.543 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.792 22.706 -7.878 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.821 19.829 -5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.630 22.992 -6.333 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.792 19.441 -3.468 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.576 22.601 -4.112 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.751 20.734 -2.511 1.00 0.00 H new ATOM 727 N LEU A 46 -10.492 21.387 -8.725 1.00 0.00 N ATOM 728 CA LEU A 46 -11.961 21.227 -8.560 1.00 0.00 C ATOM 729 C LEU A 46 -12.492 20.095 -9.452 1.00 0.00 C ATOM 730 O LEU A 46 -13.263 19.239 -8.995 1.00 0.00 O ATOM 731 CB LEU A 46 -12.706 22.551 -8.894 1.00 0.00 C ATOM 732 CG LEU A 46 -12.460 23.743 -7.921 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.208 25.006 -8.391 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.843 23.376 -6.468 1.00 0.00 C ATOM 0 H LEU A 46 -10.215 22.324 -9.018 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.149 20.972 -7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.417 22.863 -9.898 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.776 22.345 -8.920 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.392 23.962 -7.933 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.018 25.822 -7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.857 25.288 -9.384 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.278 24.802 -8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.659 24.230 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.899 23.109 -6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.242 22.530 -6.136 1.00 0.00 H new ATOM 746 N PHE A 47 -12.037 20.110 -10.720 1.00 0.00 N ATOM 747 CA PHE A 47 -12.356 19.068 -11.709 1.00 0.00 C ATOM 748 C PHE A 47 -11.911 17.667 -11.221 1.00 0.00 C ATOM 749 O PHE A 47 -12.684 16.711 -11.301 1.00 0.00 O ATOM 750 CB PHE A 47 -11.705 19.420 -13.090 1.00 0.00 C ATOM 751 CG PHE A 47 -11.568 18.229 -14.054 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.691 17.613 -14.615 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.314 17.705 -14.362 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.557 16.517 -15.450 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.184 16.610 -15.189 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.303 16.017 -15.736 1.00 0.00 C ATOM 0 H PHE A 47 -11.436 20.849 -11.086 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.438 19.035 -11.833 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.302 20.194 -13.572 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.716 19.844 -12.914 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.676 17.997 -14.394 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.430 18.164 -13.946 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.434 16.053 -15.878 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.203 16.215 -15.409 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.198 15.162 -16.388 1.00 0.00 H new ATOM 766 N LEU A 48 -10.665 17.566 -10.733 1.00 0.00 N ATOM 767 CA LEU A 48 -10.066 16.285 -10.318 1.00 0.00 C ATOM 768 C LEU A 48 -10.754 15.686 -9.072 1.00 0.00 C ATOM 769 O LEU A 48 -10.949 14.477 -9.009 1.00 0.00 O ATOM 770 CB LEU A 48 -8.545 16.431 -10.076 1.00 0.00 C ATOM 771 CG LEU A 48 -7.673 16.774 -11.324 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.188 16.889 -10.948 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.875 15.750 -12.462 1.00 0.00 C ATOM 0 H LEU A 48 -10.045 18.367 -10.615 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.225 15.589 -11.142 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.391 17.209 -9.328 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.176 15.499 -9.647 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.006 17.744 -11.693 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.605 17.129 -11.837 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.060 17.678 -10.207 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.843 15.942 -10.533 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.251 16.024 -13.313 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.595 14.757 -12.111 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.922 15.746 -12.766 1.00 0.00 H new ATOM 785 N VAL A 49 -11.122 16.528 -8.087 1.00 0.00 N ATOM 786 CA VAL A 49 -11.840 16.062 -6.875 1.00 0.00 C ATOM 787 C VAL A 49 -13.238 15.555 -7.271 1.00 0.00 C ATOM 788 O VAL A 49 -13.689 14.496 -6.805 1.00 0.00 O ATOM 789 CB VAL A 49 -11.978 17.177 -5.767 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.705 16.625 -4.515 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.603 17.766 -5.377 1.00 0.00 C ATOM 0 H VAL A 49 -10.937 17.531 -8.102 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.245 15.258 -6.442 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.578 17.983 -6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.788 17.412 -3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.702 16.283 -4.794 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.138 15.790 -4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.738 18.530 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.964 16.973 -4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.135 18.211 -6.255 1.00 0.00 H new ATOM 801 N ASP A 50 -13.880 16.316 -8.170 1.00 0.00 N ATOM 802 CA ASP A 50 -15.199 15.984 -8.741 1.00 0.00 C ATOM 803 C ASP A 50 -15.152 14.637 -9.493 1.00 0.00 C ATOM 804 O ASP A 50 -16.086 13.832 -9.407 1.00 0.00 O ATOM 805 CB ASP A 50 -15.640 17.118 -9.699 1.00 0.00 C ATOM 806 CG ASP A 50 -17.043 16.915 -10.293 1.00 0.00 C ATOM 807 OD1 ASP A 50 -18.034 17.353 -9.670 1.00 0.00 O ATOM 808 OD2 ASP A 50 -17.163 16.314 -11.379 1.00 0.00 O ATOM 0 H ASP A 50 -13.495 17.191 -8.527 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.921 15.889 -7.930 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.617 18.066 -9.161 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.919 17.195 -10.512 1.00 0.00 H new ATOM 813 N ALA A 51 -14.035 14.403 -10.203 1.00 0.00 N ATOM 814 CA ALA A 51 -13.822 13.198 -11.024 1.00 0.00 C ATOM 815 C ALA A 51 -13.204 12.040 -10.204 1.00 0.00 C ATOM 816 O ALA A 51 -12.804 11.021 -10.785 1.00 0.00 O ATOM 817 CB ALA A 51 -12.932 13.564 -12.228 1.00 0.00 C ATOM 0 H ALA A 51 -13.247 15.051 -10.223 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.789 12.841 -11.379 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.768 12.678 -12.842 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.424 14.333 -12.824 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.973 13.940 -11.871 1.00 0.00 H new ATOM 823 N LYS A 52 -13.115 12.223 -8.855 1.00 0.00 N ATOM 824 CA LYS A 52 -12.582 11.212 -7.895 1.00 0.00 C ATOM 825 C LYS A 52 -11.093 10.875 -8.149 1.00 0.00 C ATOM 826 O LYS A 52 -10.589 9.859 -7.665 1.00 0.00 O ATOM 827 CB LYS A 52 -13.462 9.918 -7.883 1.00 0.00 C ATOM 828 CG LYS A 52 -14.893 10.123 -7.333 1.00 0.00 C ATOM 829 CD LYS A 52 -14.930 10.474 -5.822 1.00 0.00 C ATOM 830 CE LYS A 52 -14.402 9.338 -4.922 1.00 0.00 C ATOM 831 NZ LYS A 52 -14.489 9.685 -3.480 1.00 0.00 N ATOM 0 H LYS A 52 -13.414 13.085 -8.400 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.635 11.666 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.529 9.529 -8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.961 9.158 -7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.379 10.920 -7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.472 9.215 -7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.336 11.372 -5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.955 10.710 -5.535 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.974 8.430 -5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.366 9.122 -5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.124 8.895 -2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.923 10.537 -3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.481 9.866 -3.226 1.00 0.00 H new ATOM 845 N GLN A 53 -10.402 11.759 -8.877 1.00 0.00 N ATOM 846 CA GLN A 53 -8.973 11.632 -9.197 1.00 0.00 C ATOM 847 C GLN A 53 -8.102 11.932 -7.959 1.00 0.00 C ATOM 848 O GLN A 53 -7.096 11.252 -7.720 1.00 0.00 O ATOM 849 CB GLN A 53 -8.626 12.585 -10.375 1.00 0.00 C ATOM 850 CG GLN A 53 -9.403 12.290 -11.680 1.00 0.00 C ATOM 851 CD GLN A 53 -9.131 10.894 -12.254 1.00 0.00 C ATOM 852 OE1 GLN A 53 -8.026 10.356 -12.138 1.00 0.00 O ATOM 853 NE2 GLN A 53 -10.142 10.283 -12.853 1.00 0.00 N ATOM 0 H GLN A 53 -10.827 12.599 -9.269 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.761 10.606 -9.498 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.829 13.611 -10.069 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.557 12.518 -10.579 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.471 12.393 -11.488 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.139 13.039 -12.427 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.045 10.751 -12.935 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.018 9.344 -13.232 1.00 0.00 H new ATOM 862 N ILE A 54 -8.508 12.956 -7.176 1.00 0.00 N ATOM 863 CA ILE A 54 -7.848 13.329 -5.895 1.00 0.00 C ATOM 864 C ILE A 54 -8.885 13.561 -4.792 1.00 0.00 C ATOM 865 O ILE A 54 -10.082 13.736 -5.066 1.00 0.00 O ATOM 866 CB ILE A 54 -6.949 14.622 -6.017 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.761 15.818 -6.605 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.680 14.340 -6.835 1.00 0.00 C ATOM 869 CD1 ILE A 54 -6.977 17.107 -6.797 1.00 0.00 C ATOM 0 H ILE A 54 -9.303 13.551 -7.410 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.203 12.488 -5.640 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.632 14.906 -5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.173 15.517 -7.568 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.605 16.021 -5.946 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.081 15.248 -6.902 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.099 13.557 -6.347 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.958 14.014 -7.837 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.633 17.874 -7.210 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.587 17.442 -5.836 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.149 16.930 -7.483 1.00 0.00 H new ATOM 881 N ALA A 55 -8.389 13.572 -3.543 1.00 0.00 N ATOM 882 CA ALA A 55 -9.180 13.900 -2.350 1.00 0.00 C ATOM 883 C ALA A 55 -9.309 15.437 -2.216 1.00 0.00 C ATOM 884 O ALA A 55 -8.450 16.172 -2.729 1.00 0.00 O ATOM 885 CB ALA A 55 -8.513 13.288 -1.096 1.00 0.00 C ATOM 0 H ALA A 55 -7.416 13.350 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.181 13.478 -2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.103 13.534 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.458 12.205 -1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.507 13.693 -0.984 1.00 0.00 H new ATOM 891 N PRO A 56 -10.388 15.958 -1.548 1.00 0.00 N ATOM 892 CA PRO A 56 -10.511 17.404 -1.265 1.00 0.00 C ATOM 893 C PRO A 56 -9.536 17.849 -0.158 1.00 0.00 C ATOM 894 O PRO A 56 -9.054 17.032 0.634 1.00 0.00 O ATOM 895 CB PRO A 56 -11.993 17.557 -0.831 1.00 0.00 C ATOM 896 CG PRO A 56 -12.335 16.230 -0.224 1.00 0.00 C ATOM 897 CD PRO A 56 -11.575 15.203 -1.044 1.00 0.00 C ATOM 0 HA PRO A 56 -10.258 18.030 -2.120 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.116 18.368 -0.113 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.636 17.784 -1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.041 16.190 0.825 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.409 16.046 -0.261 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.277 14.348 -0.438 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.181 14.817 -1.864 1.00 0.00 H new ATOM 905 N LEU A 57 -9.237 19.139 -0.138 1.00 0.00 N ATOM 906 CA LEU A 57 -8.421 19.775 0.900 1.00 0.00 C ATOM 907 C LEU A 57 -9.345 20.455 1.919 1.00 0.00 C ATOM 908 O LEU A 57 -10.438 20.904 1.543 1.00 0.00 O ATOM 909 CB LEU A 57 -7.480 20.826 0.262 1.00 0.00 C ATOM 910 CG LEU A 57 -6.330 20.272 -0.630 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.686 21.395 -1.462 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.267 19.530 0.221 1.00 0.00 C ATOM 0 H LEU A 57 -9.558 19.791 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.816 19.020 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.084 21.505 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.037 21.419 1.062 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.765 19.550 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.886 20.980 -2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.439 21.849 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.276 22.153 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.477 19.155 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.840 20.218 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.736 18.695 0.741 1.00 0.00 H new ATOM 924 N PRO A 58 -8.932 20.547 3.220 1.00 0.00 N ATOM 925 CA PRO A 58 -9.689 21.316 4.230 1.00 0.00 C ATOM 926 C PRO A 58 -9.723 22.824 3.879 1.00 0.00 C ATOM 927 O PRO A 58 -8.777 23.352 3.279 1.00 0.00 O ATOM 928 CB PRO A 58 -8.917 21.043 5.549 1.00 0.00 C ATOM 929 CG PRO A 58 -7.536 20.644 5.118 1.00 0.00 C ATOM 930 CD PRO A 58 -7.722 19.901 3.817 1.00 0.00 C ATOM 0 HA PRO A 58 -10.737 21.022 4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.892 21.930 6.182 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.393 20.252 6.128 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.898 21.518 4.984 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.058 20.012 5.867 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.852 20.001 3.169 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.876 18.834 3.982 1.00 0.00 H new ATOM 938 N ASP A 59 -10.823 23.490 4.255 1.00 0.00 N ATOM 939 CA ASP A 59 -11.019 24.940 4.017 1.00 0.00 C ATOM 940 C ASP A 59 -10.051 25.780 4.867 1.00 0.00 C ATOM 941 O ASP A 59 -9.788 26.941 4.551 1.00 0.00 O ATOM 942 CB ASP A 59 -12.482 25.336 4.327 1.00 0.00 C ATOM 943 CG ASP A 59 -13.496 24.542 3.491 1.00 0.00 C ATOM 944 OD1 ASP A 59 -13.831 23.407 3.880 1.00 0.00 O ATOM 945 OD2 ASP A 59 -13.936 25.030 2.434 1.00 0.00 O ATOM 0 H ASP A 59 -11.606 23.045 4.733 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.807 25.142 2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.682 25.173 5.386 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.615 26.401 4.138 1.00 0.00 H new ATOM 950 N SER A 60 -9.538 25.165 5.950 1.00 0.00 N ATOM 951 CA SER A 60 -8.506 25.750 6.822 1.00 0.00 C ATOM 952 C SER A 60 -7.147 25.827 6.092 1.00 0.00 C ATOM 953 O SER A 60 -6.271 26.605 6.475 1.00 0.00 O ATOM 954 CB SER A 60 -8.390 24.908 8.111 1.00 0.00 C ATOM 955 OG SER A 60 -9.637 24.823 8.790 1.00 0.00 O ATOM 0 H SER A 60 -9.834 24.235 6.246 1.00 0.00 H new ATOM 0 HA SER A 60 -8.796 26.768 7.084 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.040 23.906 7.862 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.644 25.351 8.771 1.00 0.00 H new ATOM 0 HG SER A 60 -9.532 24.283 9.601 1.00 0.00 H new ATOM 961 N LYS A 61 -6.968 24.981 5.051 1.00 0.00 N ATOM 962 CA LYS A 61 -5.809 25.050 4.146 1.00 0.00 C ATOM 963 C LYS A 61 -6.259 25.610 2.784 1.00 0.00 C ATOM 964 O LYS A 61 -6.319 26.839 2.625 1.00 0.00 O ATOM 965 CB LYS A 61 -5.114 23.661 4.014 1.00 0.00 C ATOM 966 CG LYS A 61 -4.538 23.108 5.333 1.00 0.00 C ATOM 967 CD LYS A 61 -3.469 24.030 5.973 1.00 0.00 C ATOM 968 CE LYS A 61 -2.963 23.498 7.327 1.00 0.00 C ATOM 969 NZ LYS A 61 -1.961 24.406 7.934 1.00 0.00 N ATOM 0 H LYS A 61 -7.624 24.235 4.820 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.063 25.726 4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.834 22.945 3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.308 23.740 3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.352 22.961 6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.097 22.129 5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.626 24.133 5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.890 25.026 6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.805 23.378 8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.522 22.511 7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.644 24.015 8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.146 24.501 7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.389 25.341 8.090 1.00 0.00 H new ATOM 983 N LEU A 62 -6.589 24.702 1.812 1.00 0.00 N ATOM 984 CA LEU A 62 -7.040 25.061 0.434 1.00 0.00 C ATOM 985 C LEU A 62 -6.038 26.035 -0.264 1.00 0.00 C ATOM 986 O LEU A 62 -6.366 26.692 -1.248 1.00 0.00 O ATOM 987 CB LEU A 62 -8.513 25.640 0.493 1.00 0.00 C ATOM 988 CG LEU A 62 -9.529 25.188 -0.627 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.229 25.810 -2.008 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.589 23.654 -0.712 1.00 0.00 C ATOM 0 H LEU A 62 -6.548 23.695 1.968 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.056 24.162 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.939 25.372 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.446 26.728 0.465 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.508 25.566 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.964 25.459 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.280 26.896 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.231 25.514 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.294 23.360 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.600 23.264 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.915 23.249 0.246 1.00 0.00 H new ATOM 1002 N ASP A 63 -4.798 26.067 0.246 1.00 0.00 N ATOM 1003 CA ASP A 63 -3.767 27.053 -0.139 1.00 0.00 C ATOM 1004 C ASP A 63 -3.206 26.738 -1.531 1.00 0.00 C ATOM 1005 O ASP A 63 -3.240 25.590 -1.942 1.00 0.00 O ATOM 1006 CB ASP A 63 -2.645 27.032 0.929 1.00 0.00 C ATOM 1007 CG ASP A 63 -1.427 27.905 0.583 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -1.544 29.147 0.624 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -0.365 27.351 0.232 1.00 0.00 O ATOM 0 H ASP A 63 -4.475 25.401 0.948 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.208 28.049 -0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.059 27.366 1.880 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.312 26.004 1.070 1.00 0.00 H new ATOM 1014 N GLY A 64 -2.662 27.772 -2.220 1.00 0.00 N ATOM 1015 CA GLY A 64 -2.090 27.645 -3.570 1.00 0.00 C ATOM 1016 C GLY A 64 -1.078 26.506 -3.697 1.00 0.00 C ATOM 1017 O GLY A 64 -1.148 25.718 -4.637 1.00 0.00 O ATOM 0 H GLY A 64 -2.611 28.720 -1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.897 27.485 -4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.606 28.583 -3.841 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.175 26.403 -2.707 1.00 0.00 N ATOM 1022 CA ALA A 65 0.851 25.343 -2.648 1.00 0.00 C ATOM 1023 C ALA A 65 0.217 23.966 -2.364 1.00 0.00 C ATOM 1024 O ALA A 65 0.703 22.950 -2.855 1.00 0.00 O ATOM 1025 CB ALA A 65 1.906 25.681 -1.582 1.00 0.00 C ATOM 0 H ALA A 65 -0.134 27.053 -1.922 1.00 0.00 H new ATOM 0 HA ALA A 65 1.339 25.291 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.656 24.891 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.386 26.627 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.425 25.765 -0.608 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.875 23.957 -1.573 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.584 22.709 -1.191 1.00 0.00 C ATOM 1033 C ASN A 66 -2.342 22.129 -2.400 1.00 0.00 C ATOM 1034 O ASN A 66 -2.431 20.901 -2.563 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.570 22.952 -0.008 1.00 0.00 C ATOM 1036 CG ASN A 66 -1.902 23.329 1.329 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -2.383 22.948 2.392 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -0.813 24.095 1.303 1.00 0.00 N ATOM 0 H ASN A 66 -1.290 24.803 -1.182 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.833 21.990 -0.862 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.261 23.747 -0.288 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.164 22.050 0.141 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.365 24.374 2.176 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.427 24.402 0.410 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.890 23.037 -3.231 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.555 22.698 -4.496 1.00 0.00 C ATOM 1047 C ILE A 67 -2.529 22.060 -5.451 1.00 0.00 C ATOM 1048 O ILE A 67 -2.782 21.007 -6.042 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.178 23.981 -5.182 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.213 24.711 -4.258 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.831 23.608 -6.525 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.491 23.944 -3.998 1.00 0.00 C ATOM 0 H ILE A 67 -2.881 24.038 -3.036 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.363 21.999 -4.282 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.359 24.678 -5.360 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.735 24.926 -3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.468 25.670 -4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.255 24.501 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.079 23.181 -7.189 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.622 22.878 -6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.142 24.531 -3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.998 23.751 -4.943 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.255 22.997 -3.514 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.361 22.716 -5.551 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.233 22.258 -6.376 1.00 0.00 C ATOM 1066 C LYS A 68 0.274 20.880 -5.928 1.00 0.00 C ATOM 1067 O LYS A 68 0.662 20.059 -6.759 1.00 0.00 O ATOM 1068 CB LYS A 68 0.916 23.297 -6.316 1.00 0.00 C ATOM 1069 CG LYS A 68 0.584 24.619 -7.028 1.00 0.00 C ATOM 1070 CD LYS A 68 1.750 25.622 -7.012 1.00 0.00 C ATOM 1071 CE LYS A 68 1.380 26.944 -7.703 1.00 0.00 C ATOM 1072 NZ LYS A 68 2.485 27.938 -7.657 1.00 0.00 N ATOM 0 H LYS A 68 -1.172 23.588 -5.056 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.584 22.161 -7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.153 23.505 -5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.810 22.865 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.307 24.409 -8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.285 25.073 -6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.043 25.821 -5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.614 25.182 -7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.116 26.746 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.496 27.366 -7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.186 28.812 -8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.721 28.149 -6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.322 27.549 -8.137 1.00 0.00 H new ATOM 1086 N HIS A 69 0.237 20.649 -4.610 1.00 0.00 N ATOM 1087 CA HIS A 69 0.667 19.388 -3.994 1.00 0.00 C ATOM 1088 C HIS A 69 -0.284 18.236 -4.397 1.00 0.00 C ATOM 1089 O HIS A 69 0.171 17.129 -4.712 1.00 0.00 O ATOM 1090 CB HIS A 69 0.727 19.559 -2.457 1.00 0.00 C ATOM 1091 CG HIS A 69 1.355 18.407 -1.719 1.00 0.00 C ATOM 1092 ND1 HIS A 69 0.868 17.909 -0.531 1.00 0.00 N ATOM 1093 CD2 HIS A 69 2.469 17.689 -1.994 1.00 0.00 C ATOM 1094 CE1 HIS A 69 1.652 16.939 -0.110 1.00 0.00 C ATOM 1095 NE2 HIS A 69 2.630 16.784 -0.981 1.00 0.00 N ATOM 0 H HIS A 69 -0.095 21.338 -3.935 1.00 0.00 H new ATOM 0 HA HIS A 69 1.663 19.130 -4.353 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.285 20.467 -2.228 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.286 19.704 -2.082 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.112 17.808 -2.854 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.517 16.367 0.796 1.00 0.00 H new ATOM 0 HE2 HIS A 69 3.384 16.100 -0.911 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.604 18.537 -4.408 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.658 17.607 -4.883 1.00 0.00 C ATOM 1106 C ARG A 70 -2.414 17.202 -6.348 1.00 0.00 C ATOM 1107 O ARG A 70 -2.379 16.007 -6.674 1.00 0.00 O ATOM 1108 CB ARG A 70 -4.074 18.255 -4.749 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.706 18.174 -3.347 1.00 0.00 C ATOM 1110 CD ARG A 70 -4.988 16.721 -2.919 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.828 16.648 -1.707 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.553 15.936 -0.602 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -4.418 15.268 -0.491 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -6.426 15.896 0.385 1.00 0.00 N ATOM 0 H ARG A 70 -1.970 19.434 -4.087 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.616 16.715 -4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.004 19.304 -5.038 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.745 17.773 -5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.039 18.642 -2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.637 18.741 -3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.483 16.194 -3.734 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.044 16.209 -2.736 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.694 17.186 -1.709 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.737 15.289 -1.251 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.223 14.731 0.354 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.307 16.405 0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.221 15.356 1.226 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.221 18.224 -7.204 1.00 0.00 N ATOM 1129 CA LEU A 71 -2.028 18.040 -8.656 1.00 0.00 C ATOM 1130 C LEU A 71 -0.747 17.238 -8.958 1.00 0.00 C ATOM 1131 O LEU A 71 -0.732 16.385 -9.858 1.00 0.00 O ATOM 1132 CB LEU A 71 -1.963 19.414 -9.376 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.196 20.364 -9.211 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.139 21.535 -10.207 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.536 19.612 -9.324 1.00 0.00 C ATOM 0 H LEU A 71 -2.194 19.200 -6.909 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.883 17.476 -9.029 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.079 19.942 -9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.816 19.232 -10.441 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.141 20.772 -8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.010 22.175 -10.066 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.231 22.114 -10.036 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.136 21.147 -11.225 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.360 20.316 -9.202 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.606 19.138 -10.303 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.592 18.850 -8.547 1.00 0.00 H new ATOM 1147 N ALA A 72 0.302 17.527 -8.171 1.00 0.00 N ATOM 1148 CA ALA A 72 1.624 16.913 -8.315 1.00 0.00 C ATOM 1149 C ALA A 72 1.575 15.408 -8.043 1.00 0.00 C ATOM 1150 O ALA A 72 1.985 14.609 -8.885 1.00 0.00 O ATOM 1151 CB ALA A 72 2.630 17.593 -7.381 1.00 0.00 C ATOM 0 H ALA A 72 0.251 18.203 -7.409 1.00 0.00 H new ATOM 0 HA ALA A 72 1.948 17.053 -9.346 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.608 17.127 -7.498 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.700 18.652 -7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.298 17.485 -6.348 1.00 0.00 H new ATOM 1157 N LEU A 73 1.038 15.036 -6.867 1.00 0.00 N ATOM 1158 CA LEU A 73 0.943 13.626 -6.441 1.00 0.00 C ATOM 1159 C LEU A 73 -0.009 12.827 -7.345 1.00 0.00 C ATOM 1160 O LEU A 73 0.224 11.628 -7.599 1.00 0.00 O ATOM 1161 CB LEU A 73 0.488 13.550 -4.969 1.00 0.00 C ATOM 1162 CG LEU A 73 1.456 14.227 -3.949 1.00 0.00 C ATOM 1163 CD1 LEU A 73 0.860 14.233 -2.539 1.00 0.00 C ATOM 1164 CD2 LEU A 73 2.850 13.558 -3.956 1.00 0.00 C ATOM 0 H LEU A 73 0.660 15.698 -6.189 1.00 0.00 H new ATOM 0 HA LEU A 73 1.932 13.177 -6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.493 14.017 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.368 12.502 -4.694 1.00 0.00 H new ATOM 0 HG LEU A 73 1.586 15.262 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.558 14.711 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.080 14.784 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.678 13.208 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.496 14.056 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.750 12.506 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.288 13.639 -4.951 1.00 0.00 H new ATOM 1176 N TRP A 74 -1.071 13.511 -7.834 1.00 0.00 N ATOM 1177 CA TRP A 74 -2.037 12.929 -8.782 1.00 0.00 C ATOM 1178 C TRP A 74 -1.328 12.431 -10.041 1.00 0.00 C ATOM 1179 O TRP A 74 -1.346 11.230 -10.340 1.00 0.00 O ATOM 1180 CB TRP A 74 -3.120 13.965 -9.195 1.00 0.00 C ATOM 1181 CG TRP A 74 -4.041 13.456 -10.285 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -4.953 12.451 -10.177 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.106 13.906 -11.647 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.565 12.239 -11.385 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -5.069 13.123 -12.298 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.443 14.898 -12.368 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.384 13.294 -13.640 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.754 15.073 -13.701 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.718 14.273 -14.324 1.00 0.00 C ATOM 0 H TRP A 74 -1.277 14.477 -7.581 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.518 12.093 -8.275 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.713 14.230 -8.320 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.631 14.877 -9.537 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.164 11.901 -9.272 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.277 11.533 -11.571 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.699 15.519 -11.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.126 12.677 -14.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.247 15.837 -14.271 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.941 14.432 -15.369 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.708 13.383 -10.763 1.00 0.00 N ATOM 1201 CA ILE A 75 -0.078 13.112 -12.051 1.00 0.00 C ATOM 1202 C ILE A 75 1.160 12.211 -11.861 1.00 0.00 C ATOM 1203 O ILE A 75 1.484 11.434 -12.740 1.00 0.00 O ATOM 1204 CB ILE A 75 0.284 14.441 -12.822 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.662 14.154 -14.310 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.407 15.214 -12.108 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.428 13.473 -15.126 1.00 0.00 C ATOM 0 H ILE A 75 -0.634 14.355 -10.464 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.798 12.579 -12.672 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.607 15.069 -12.822 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.922 15.096 -14.792 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.555 13.529 -14.329 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.633 16.124 -12.664 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.085 15.475 -11.100 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.300 14.591 -12.054 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.075 13.315 -16.145 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.674 12.512 -14.674 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.317 14.104 -15.144 1.00 0.00 H new ATOM 1219 N HIS A 76 1.791 12.274 -10.668 1.00 0.00 N ATOM 1220 CA HIS A 76 2.969 11.444 -10.342 1.00 0.00 C ATOM 1221 C HIS A 76 2.573 9.955 -10.298 1.00 0.00 C ATOM 1222 O HIS A 76 3.335 9.084 -10.733 1.00 0.00 O ATOM 1223 CB HIS A 76 3.615 11.875 -8.989 1.00 0.00 C ATOM 1224 CG HIS A 76 5.087 11.583 -8.906 1.00 0.00 C ATOM 1225 ND1 HIS A 76 5.747 11.325 -7.735 1.00 0.00 N ATOM 1226 CD2 HIS A 76 6.029 11.557 -9.876 1.00 0.00 C ATOM 1227 CE1 HIS A 76 7.025 11.154 -7.986 1.00 0.00 C ATOM 1228 NE2 HIS A 76 7.224 11.291 -9.277 1.00 0.00 N ATOM 0 H HIS A 76 1.501 12.895 -9.912 1.00 0.00 H new ATOM 0 HA HIS A 76 3.712 11.593 -11.126 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.456 12.944 -8.844 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.105 11.363 -8.173 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.865 11.718 -10.931 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.787 10.937 -7.252 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.123 11.212 -9.752 1.00 0.00 H new ATOM 1237 N ALA A 77 1.373 9.694 -9.759 1.00 0.00 N ATOM 1238 CA ALA A 77 0.786 8.343 -9.713 1.00 0.00 C ATOM 1239 C ALA A 77 0.095 7.974 -11.046 1.00 0.00 C ATOM 1240 O ALA A 77 -0.034 6.792 -11.379 1.00 0.00 O ATOM 1241 CB ALA A 77 -0.204 8.266 -8.549 1.00 0.00 C ATOM 0 H ALA A 77 0.781 10.412 -9.342 1.00 0.00 H new ATOM 0 HA ALA A 77 1.587 7.620 -9.560 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.642 7.269 -8.509 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.317 8.471 -7.614 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.993 9.004 -8.693 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.349 9.000 -11.798 1.00 0.00 N ATOM 1248 CA ALA A 78 -1.026 8.816 -13.102 1.00 0.00 C ATOM 1249 C ALA A 78 -0.013 8.458 -14.203 1.00 0.00 C ATOM 1250 O ALA A 78 -0.371 7.853 -15.216 1.00 0.00 O ATOM 1251 CB ALA A 78 -1.824 10.076 -13.478 1.00 0.00 C ATOM 0 H ALA A 78 -0.250 9.977 -11.522 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.724 7.984 -13.009 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.315 9.923 -14.439 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.576 10.272 -12.714 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.147 10.928 -13.548 1.00 0.00 H new ATOM 1257 N LEU A 79 1.250 8.861 -13.993 1.00 0.00 N ATOM 1258 CA LEU A 79 2.375 8.497 -14.860 1.00 0.00 C ATOM 1259 C LEU A 79 2.954 7.149 -14.392 1.00 0.00 C ATOM 1260 O LEU A 79 3.450 7.070 -13.265 1.00 0.00 O ATOM 1261 CB LEU A 79 3.453 9.612 -14.820 1.00 0.00 C ATOM 1262 CG LEU A 79 2.995 11.004 -15.363 1.00 0.00 C ATOM 1263 CD1 LEU A 79 4.089 12.071 -15.178 1.00 0.00 C ATOM 1264 CD2 LEU A 79 2.534 10.915 -16.838 1.00 0.00 C ATOM 0 H LEU A 79 1.519 9.454 -13.208 1.00 0.00 H new ATOM 0 HA LEU A 79 2.035 8.395 -15.891 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.787 9.734 -13.790 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.316 9.281 -15.398 1.00 0.00 H new ATOM 0 HG LEU A 79 2.134 11.315 -14.771 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.735 13.026 -15.567 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.321 12.174 -14.118 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.987 11.769 -15.718 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.223 11.901 -17.182 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.358 10.559 -17.456 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.696 10.222 -16.916 1.00 0.00 H new ATOM 1276 N PRO A 80 2.870 6.063 -15.236 1.00 0.00 N ATOM 1277 CA PRO A 80 3.386 4.712 -14.880 1.00 0.00 C ATOM 1278 C PRO A 80 4.904 4.702 -14.584 1.00 0.00 C ATOM 1279 O PRO A 80 5.389 3.903 -13.775 1.00 0.00 O ATOM 1280 CB PRO A 80 3.042 3.850 -16.129 1.00 0.00 C ATOM 1281 CG PRO A 80 1.927 4.592 -16.802 1.00 0.00 C ATOM 1282 CD PRO A 80 2.239 6.053 -16.586 1.00 0.00 C ATOM 0 HA PRO A 80 2.938 4.337 -13.960 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.904 3.745 -16.788 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.734 2.844 -15.844 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.879 4.352 -17.864 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.961 4.327 -16.371 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.914 6.439 -17.350 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.339 6.667 -16.616 1.00 0.00 H new ATOM 1290 N ASP A 81 5.632 5.602 -15.266 1.00 0.00 N ATOM 1291 CA ASP A 81 7.093 5.769 -15.121 1.00 0.00 C ATOM 1292 C ASP A 81 7.462 6.465 -13.792 1.00 0.00 C ATOM 1293 O ASP A 81 8.599 6.328 -13.318 1.00 0.00 O ATOM 1294 CB ASP A 81 7.650 6.590 -16.314 1.00 0.00 C ATOM 1295 CG ASP A 81 7.536 5.879 -17.668 1.00 0.00 C ATOM 1296 OD1 ASP A 81 6.402 5.718 -18.178 1.00 0.00 O ATOM 1297 OD2 ASP A 81 8.576 5.480 -18.242 1.00 0.00 O ATOM 0 H ASP A 81 5.220 6.244 -15.943 1.00 0.00 H new ATOM 0 HA ASP A 81 7.541 4.775 -15.113 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.118 7.540 -16.368 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.698 6.822 -16.124 1.00 0.00 H new ATOM 1302 N ASN A 82 6.487 7.223 -13.225 1.00 0.00 N ATOM 1303 CA ASN A 82 6.640 7.974 -11.954 1.00 0.00 C ATOM 1304 C ASN A 82 7.754 9.034 -12.057 1.00 0.00 C ATOM 1305 O ASN A 82 8.411 9.357 -11.051 1.00 0.00 O ATOM 1306 CB ASN A 82 6.907 7.004 -10.766 1.00 0.00 C ATOM 1307 CG ASN A 82 5.808 5.969 -10.537 1.00 0.00 C ATOM 1308 OD1 ASN A 82 4.633 6.206 -10.800 1.00 0.00 O ATOM 1309 ND2 ASN A 82 6.184 4.822 -10.002 1.00 0.00 N ATOM 0 H ASN A 82 5.563 7.330 -13.644 1.00 0.00 H new ATOM 0 HA ASN A 82 5.703 8.497 -11.764 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.848 6.483 -10.942 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.033 7.590 -9.856 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.490 4.103 -9.796 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.169 4.654 -9.795 1.00 0.00 H new ATOM 1316 N ASP A 83 7.926 9.597 -13.272 1.00 0.00 N ATOM 1317 CA ASP A 83 9.002 10.559 -13.587 1.00 0.00 C ATOM 1318 C ASP A 83 8.929 11.820 -12.696 1.00 0.00 C ATOM 1319 O ASP A 83 7.854 12.184 -12.224 1.00 0.00 O ATOM 1320 CB ASP A 83 8.934 10.985 -15.086 1.00 0.00 C ATOM 1321 CG ASP A 83 9.205 9.843 -16.077 1.00 0.00 C ATOM 1322 OD1 ASP A 83 10.105 9.015 -15.820 1.00 0.00 O ATOM 1323 OD2 ASP A 83 8.533 9.772 -17.122 1.00 0.00 O ATOM 0 H ASP A 83 7.318 9.395 -14.066 1.00 0.00 H new ATOM 0 HA ASP A 83 9.947 10.054 -13.389 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.947 11.401 -15.290 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.658 11.781 -15.259 1.00 0.00 H new ATOM 1328 N PRO A 84 10.087 12.502 -12.448 1.00 0.00 N ATOM 1329 CA PRO A 84 10.104 13.843 -11.804 1.00 0.00 C ATOM 1330 C PRO A 84 9.793 14.976 -12.812 1.00 0.00 C ATOM 1331 O PRO A 84 9.789 16.152 -12.437 1.00 0.00 O ATOM 1332 CB PRO A 84 11.552 13.932 -11.289 1.00 0.00 C ATOM 1333 CG PRO A 84 12.347 13.192 -12.327 1.00 0.00 C ATOM 1334 CD PRO A 84 11.475 12.021 -12.736 1.00 0.00 C ATOM 0 HA PRO A 84 9.349 13.959 -11.027 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.881 14.967 -11.196 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.655 13.475 -10.305 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.573 13.832 -13.180 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.300 12.851 -11.923 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.604 11.774 -13.790 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.715 11.123 -12.166 1.00 0.00 H new ATOM 1342 N LEU A 85 9.579 14.575 -14.100 1.00 0.00 N ATOM 1343 CA LEU A 85 9.269 15.471 -15.236 1.00 0.00 C ATOM 1344 C LEU A 85 10.436 16.402 -15.576 1.00 0.00 C ATOM 1345 O LEU A 85 10.287 17.323 -16.371 1.00 0.00 O ATOM 1346 CB LEU A 85 7.946 16.254 -15.011 1.00 0.00 C ATOM 1347 CG LEU A 85 6.645 15.400 -15.111 1.00 0.00 C ATOM 1348 CD1 LEU A 85 6.471 14.442 -13.921 1.00 0.00 C ATOM 1349 CD2 LEU A 85 5.418 16.293 -15.286 1.00 0.00 C ATOM 0 H LEU A 85 9.620 13.594 -14.375 1.00 0.00 H new ATOM 0 HA LEU A 85 9.117 14.833 -16.106 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.981 16.720 -14.026 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.890 17.060 -15.743 1.00 0.00 H new ATOM 0 HG LEU A 85 6.746 14.775 -15.999 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.549 13.873 -14.044 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.317 13.757 -13.879 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.423 15.016 -12.996 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.524 15.673 -15.353 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.331 16.964 -14.431 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.522 16.880 -16.199 1.00 0.00 H new ATOM 1361 N LYS A 86 11.606 16.086 -15.014 1.00 0.00 N ATOM 1362 CA LYS A 86 12.830 16.872 -15.143 1.00 0.00 C ATOM 1363 C LYS A 86 13.353 16.793 -16.605 1.00 0.00 C ATOM 1364 O LYS A 86 13.333 17.820 -17.326 1.00 0.00 O ATOM 1365 CB LYS A 86 13.877 16.330 -14.127 1.00 0.00 C ATOM 1366 CG LYS A 86 15.190 17.133 -14.059 1.00 0.00 C ATOM 1367 CD LYS A 86 16.228 16.498 -13.101 1.00 0.00 C ATOM 1368 CE LYS A 86 17.517 17.327 -12.977 1.00 0.00 C ATOM 1369 NZ LYS A 86 18.200 17.487 -14.282 1.00 0.00 N ATOM 1370 OXT LYS A 86 13.733 15.679 -17.034 1.00 0.00 O ATOM 0 H LYS A 86 11.728 15.251 -14.441 1.00 0.00 H new ATOM 0 HA LYS A 86 12.639 17.922 -14.920 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.425 16.315 -13.135 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.112 15.298 -14.386 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.620 17.205 -15.058 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.973 18.150 -13.731 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.780 16.383 -12.114 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.478 15.498 -13.456 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.279 18.309 -12.569 1.00 0.00 H new ATOM 0 HE3 LYS A 86 18.192 16.844 -12.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 19.114 17.963 -14.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 18.360 16.551 -14.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.607 18.059 -14.916 1.00 0.00 H new