USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 681 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 109 TYR OH : rot -130:sc= -0.581 USER MOD Set 1.2: A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 102 TYR OH : rot -164:sc= -5.85! USER MOD Set 2.2: A 106 GLN : amide:sc= -2.64 X(o=-8.5,f=-8.5!) USER MOD Set 3.1: A 40 GLN : amide:sc= -0.0618 K(o=-2.8,f=-4.9) USER MOD Set 3.2: A 72 CYS SG : rot 30:sc= -2.72! USER MOD Set 4.1: A 27 THR OG1 : rot 177:sc= -4.49! USER MOD Set 4.2: A 88 ASN : amide:sc= -0.513 X(o=-5,f=-4.8) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0744 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 136:sc= 0.938 (180deg=-0.159) USER MOD Single : A 48 CYS SG : rot -51:sc= -10! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= -3.31! (180deg=-3.61!) USER MOD Single : A 66 THR OG1 : rot -50:sc= 0.979 USER MOD Single : A 71 ASN : amide:sc= -1.75 K(o=-1.7,f=-2.9!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 88:sc= 1.29 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -4.47! K(o=-4.5!,f=-2.4) USER MOD Single : A 86 HIS : no HD1:sc= -2.69! K(o=-2.7!,f=-1.3) USER MOD Single : A 87 GLN : amide:sc= -6.53! C(o=-6.5!,f=-5!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 118:sc= 0.163 USER MOD Single : A 101 LYS NZ :NH3+ 154:sc= -0.37 (180deg=-1.4!) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -1.98 K(o=-2,f=-2.9!) USER MOD Single : A 111 GLN : amide:sc= -1.24 K(o=-1.2,f=-1.9!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -19.805 3.938 -5.902 1.00 0.00 N ATOM 71 CA THR A 27 -18.527 3.842 -6.580 1.00 0.00 C ATOM 72 C THR A 27 -17.618 4.990 -6.142 1.00 0.00 C ATOM 73 O THR A 27 -16.394 4.887 -6.209 1.00 0.00 O ATOM 74 CB THR A 27 -18.742 3.843 -8.098 1.00 0.00 C ATOM 75 OG1 THR A 27 -18.566 2.542 -8.629 1.00 0.00 O ATOM 76 CG2 THR A 27 -17.811 4.767 -8.845 1.00 0.00 C ATOM 0 HA THR A 27 -18.038 2.906 -6.310 1.00 0.00 H new ATOM 0 HB THR A 27 -19.763 4.199 -8.237 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.756 2.553 -9.590 1.00 0.00 H new ATOM 0 HG21 THR A 27 -18.024 4.713 -9.913 1.00 0.00 H new ATOM 0 HG22 THR A 27 -17.957 5.790 -8.497 1.00 0.00 H new ATOM 0 HG23 THR A 27 -16.779 4.467 -8.665 1.00 0.00 H new ATOM 84 N LYS A 28 -18.229 6.078 -5.679 1.00 0.00 N ATOM 85 CA LYS A 28 -17.477 7.233 -5.211 1.00 0.00 C ATOM 86 C LYS A 28 -16.733 6.877 -3.931 1.00 0.00 C ATOM 87 O LYS A 28 -15.554 7.198 -3.768 1.00 0.00 O ATOM 88 CB LYS A 28 -18.416 8.415 -4.964 1.00 0.00 C ATOM 89 CG LYS A 28 -17.739 9.770 -5.081 1.00 0.00 C ATOM 90 CD LYS A 28 -17.365 10.085 -6.521 1.00 0.00 C ATOM 91 CE LYS A 28 -18.592 10.418 -7.355 1.00 0.00 C ATOM 92 NZ LYS A 28 -18.261 10.555 -8.800 1.00 0.00 N ATOM 0 H LYS A 28 -19.242 6.181 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.755 7.519 -5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -19.240 8.368 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.850 8.321 -3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.405 10.544 -4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.843 9.785 -4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.670 10.925 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.847 9.232 -6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.341 9.637 -7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.035 11.346 -6.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.124 10.782 -9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.565 11.318 -8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.862 9.661 -9.151 1.00 0.00 H new ATOM 106 N GLU A 29 -17.431 6.189 -3.031 1.00 0.00 N ATOM 107 CA GLU A 29 -16.841 5.763 -1.770 1.00 0.00 C ATOM 108 C GLU A 29 -15.615 4.900 -2.035 1.00 0.00 C ATOM 109 O GLU A 29 -14.631 4.949 -1.296 1.00 0.00 O ATOM 110 CB GLU A 29 -17.865 4.984 -0.942 1.00 0.00 C ATOM 111 CG GLU A 29 -18.584 5.834 0.093 1.00 0.00 C ATOM 112 CD GLU A 29 -19.789 5.132 0.687 1.00 0.00 C ATOM 113 OE1 GLU A 29 -19.598 4.267 1.568 1.00 0.00 O ATOM 114 OE2 GLU A 29 -20.924 5.448 0.272 1.00 0.00 O ATOM 0 H GLU A 29 -18.406 5.916 -3.154 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.537 6.646 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -18.602 4.543 -1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.360 4.161 -0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -17.889 6.093 0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -18.903 6.769 -0.368 1.00 0.00 H new ATOM 121 N LEU A 30 -15.681 4.117 -3.109 1.00 0.00 N ATOM 122 CA LEU A 30 -14.576 3.249 -3.493 1.00 0.00 C ATOM 123 C LEU A 30 -13.318 4.074 -3.737 1.00 0.00 C ATOM 124 O LEU A 30 -12.255 3.780 -3.191 1.00 0.00 O ATOM 125 CB LEU A 30 -14.948 2.449 -4.745 1.00 0.00 C ATOM 126 CG LEU A 30 -13.773 1.914 -5.567 1.00 0.00 C ATOM 127 CD1 LEU A 30 -12.975 0.902 -4.761 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.271 1.296 -6.865 1.00 0.00 C ATOM 0 H LEU A 30 -16.490 4.067 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.376 2.550 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.569 1.606 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.559 3.081 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.115 2.747 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.144 0.533 -5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.588 1.378 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.620 0.069 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.423 0.920 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -14.950 0.473 -6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.798 2.051 -7.449 1.00 0.00 H new ATOM 140 N SER A 31 -13.451 5.121 -4.547 1.00 0.00 N ATOM 141 CA SER A 31 -12.327 5.999 -4.843 1.00 0.00 C ATOM 142 C SER A 31 -11.739 6.550 -3.548 1.00 0.00 C ATOM 143 O SER A 31 -10.562 6.899 -3.489 1.00 0.00 O ATOM 144 CB SER A 31 -12.769 7.149 -5.750 1.00 0.00 C ATOM 145 OG SER A 31 -13.475 6.665 -6.880 1.00 0.00 O ATOM 0 H SER A 31 -14.323 5.380 -5.008 1.00 0.00 H new ATOM 0 HA SER A 31 -11.563 5.421 -5.363 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.402 7.836 -5.189 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.896 7.714 -6.077 1.00 0.00 H new ATOM 0 HG SER A 31 -13.748 7.419 -7.443 1.00 0.00 H new ATOM 151 N ASN A 32 -12.567 6.607 -2.505 1.00 0.00 N ATOM 152 CA ASN A 32 -12.120 7.092 -1.207 1.00 0.00 C ATOM 153 C ASN A 32 -11.120 6.110 -0.610 1.00 0.00 C ATOM 154 O ASN A 32 -10.103 6.507 -0.040 1.00 0.00 O ATOM 155 CB ASN A 32 -13.312 7.278 -0.264 1.00 0.00 C ATOM 156 CG ASN A 32 -13.370 8.673 0.326 1.00 0.00 C ATOM 157 OD1 ASN A 32 -13.136 8.866 1.519 1.00 0.00 O ATOM 158 ND2 ASN A 32 -13.684 9.656 -0.510 1.00 0.00 N ATOM 0 H ASN A 32 -13.546 6.324 -2.537 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.635 8.059 -1.338 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.236 7.077 -0.807 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -13.251 6.548 0.543 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.739 10.616 -0.170 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.870 9.451 -1.492 1.00 0.00 H new ATOM 165 N LEU A 33 -11.407 4.821 -0.773 1.00 0.00 N ATOM 166 CA LEU A 33 -10.523 3.775 -0.278 1.00 0.00 C ATOM 167 C LEU A 33 -9.274 3.728 -1.142 1.00 0.00 C ATOM 168 O LEU A 33 -8.153 3.650 -0.642 1.00 0.00 O ATOM 169 CB LEU A 33 -11.226 2.414 -0.297 1.00 0.00 C ATOM 170 CG LEU A 33 -12.727 2.445 0.004 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.379 1.139 -0.414 1.00 0.00 C ATOM 172 CD2 LEU A 33 -12.970 2.722 1.479 1.00 0.00 C ATOM 0 H LEU A 33 -12.244 4.478 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.250 4.000 0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.079 1.962 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.740 1.763 0.430 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.179 3.252 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.446 1.178 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.235 0.987 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.925 0.314 0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.042 2.740 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.506 1.938 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.536 3.686 1.744 1.00 0.00 H new ATOM 184 N ILE A 34 -9.485 3.805 -2.450 1.00 0.00 N ATOM 185 CA ILE A 34 -8.392 3.803 -3.406 1.00 0.00 C ATOM 186 C ILE A 34 -7.527 5.039 -3.202 1.00 0.00 C ATOM 187 O ILE A 34 -6.298 4.963 -3.223 1.00 0.00 O ATOM 188 CB ILE A 34 -8.933 3.778 -4.852 1.00 0.00 C ATOM 189 CG1 ILE A 34 -9.495 2.396 -5.182 1.00 0.00 C ATOM 190 CG2 ILE A 34 -7.856 4.169 -5.855 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.216 2.336 -6.509 1.00 0.00 C ATOM 0 H ILE A 34 -10.411 3.870 -2.872 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.791 2.908 -3.244 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.735 4.512 -4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.679 1.673 -5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.182 2.094 -4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.270 4.141 -6.863 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.503 5.177 -5.635 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.023 3.469 -5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.588 1.325 -6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.054 3.033 -6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.528 2.606 -7.310 1.00 0.00 H new ATOM 203 N GLU A 35 -8.181 6.179 -2.999 1.00 0.00 N ATOM 204 CA GLU A 35 -7.476 7.433 -2.783 1.00 0.00 C ATOM 205 C GLU A 35 -6.487 7.288 -1.634 1.00 0.00 C ATOM 206 O GLU A 35 -5.403 7.872 -1.653 1.00 0.00 O ATOM 207 CB GLU A 35 -8.466 8.561 -2.486 1.00 0.00 C ATOM 208 CG GLU A 35 -8.900 9.331 -3.722 1.00 0.00 C ATOM 209 CD GLU A 35 -9.010 10.822 -3.472 1.00 0.00 C ATOM 210 OE1 GLU A 35 -8.119 11.377 -2.796 1.00 0.00 O ATOM 211 OE2 GLU A 35 -9.986 11.435 -3.953 1.00 0.00 O ATOM 0 H GLU A 35 -9.198 6.258 -2.980 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.928 7.683 -3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.348 8.141 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.012 9.254 -1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.186 9.153 -4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.864 8.951 -4.062 1.00 0.00 H new ATOM 218 N THR A 36 -6.859 6.481 -0.645 1.00 0.00 N ATOM 219 CA THR A 36 -5.991 6.237 0.495 1.00 0.00 C ATOM 220 C THR A 36 -4.908 5.250 0.089 1.00 0.00 C ATOM 221 O THR A 36 -3.736 5.426 0.414 1.00 0.00 O ATOM 222 CB THR A 36 -6.801 5.716 1.693 1.00 0.00 C ATOM 223 OG1 THR A 36 -6.440 6.409 2.875 1.00 0.00 O ATOM 224 CG2 THR A 36 -6.625 4.234 1.965 1.00 0.00 C ATOM 0 H THR A 36 -7.752 5.989 -0.612 1.00 0.00 H new ATOM 0 HA THR A 36 -5.522 7.171 0.805 1.00 0.00 H new ATOM 0 HB THR A 36 -7.842 5.889 1.421 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.966 6.067 3.628 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.230 3.948 2.825 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.943 3.664 1.092 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.576 4.024 2.173 1.00 0.00 H new ATOM 232 N PHE A 37 -5.313 4.224 -0.654 1.00 0.00 N ATOM 233 CA PHE A 37 -4.380 3.220 -1.137 1.00 0.00 C ATOM 234 C PHE A 37 -3.296 3.891 -1.966 1.00 0.00 C ATOM 235 O PHE A 37 -2.116 3.571 -1.843 1.00 0.00 O ATOM 236 CB PHE A 37 -5.109 2.172 -1.978 1.00 0.00 C ATOM 237 CG PHE A 37 -4.372 0.866 -2.111 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.457 0.443 -1.150 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.594 0.061 -3.214 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.784 -0.756 -1.298 1.00 0.00 C ATOM 241 CE2 PHE A 37 -3.924 -1.136 -3.363 1.00 0.00 C ATOM 242 CZ PHE A 37 -3.018 -1.544 -2.405 1.00 0.00 C ATOM 0 H PHE A 37 -6.282 4.069 -0.933 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.925 2.720 -0.282 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.086 1.981 -1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.285 2.580 -2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.271 1.057 -0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.301 0.374 -3.968 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.076 -1.075 -0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.109 -1.754 -4.229 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.493 -2.480 -2.522 1.00 0.00 H new ATOM 252 N ALA A 38 -3.710 4.845 -2.796 1.00 0.00 N ATOM 253 CA ALA A 38 -2.774 5.587 -3.626 1.00 0.00 C ATOM 254 C ALA A 38 -1.745 6.279 -2.744 1.00 0.00 C ATOM 255 O ALA A 38 -0.556 6.310 -3.060 1.00 0.00 O ATOM 256 CB ALA A 38 -3.512 6.601 -4.486 1.00 0.00 C ATOM 0 H ALA A 38 -4.686 5.120 -2.909 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.260 4.892 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.796 7.147 -5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.222 6.083 -5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.047 7.301 -3.845 1.00 0.00 H new ATOM 262 N GLU A 39 -2.214 6.811 -1.617 1.00 0.00 N ATOM 263 CA GLU A 39 -1.338 7.477 -0.665 1.00 0.00 C ATOM 264 C GLU A 39 -0.488 6.431 0.049 1.00 0.00 C ATOM 265 O GLU A 39 0.729 6.576 0.167 1.00 0.00 O ATOM 266 CB GLU A 39 -2.168 8.301 0.334 1.00 0.00 C ATOM 267 CG GLU A 39 -1.722 8.179 1.787 1.00 0.00 C ATOM 268 CD GLU A 39 -2.140 9.371 2.625 1.00 0.00 C ATOM 269 OE1 GLU A 39 -1.562 10.462 2.436 1.00 0.00 O ATOM 270 OE2 GLU A 39 -3.045 9.214 3.471 1.00 0.00 O ATOM 0 H GLU A 39 -3.197 6.792 -1.344 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.676 8.166 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.126 9.350 0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.211 7.992 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.143 7.271 2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.637 8.076 1.823 1.00 0.00 H new ATOM 277 N GLN A 40 -1.142 5.365 0.503 1.00 0.00 N ATOM 278 CA GLN A 40 -0.455 4.279 1.182 1.00 0.00 C ATOM 279 C GLN A 40 0.592 3.671 0.257 1.00 0.00 C ATOM 280 O GLN A 40 1.663 3.256 0.699 1.00 0.00 O ATOM 281 CB GLN A 40 -1.455 3.206 1.619 1.00 0.00 C ATOM 282 CG GLN A 40 -2.580 3.738 2.492 1.00 0.00 C ATOM 283 CD GLN A 40 -2.242 3.693 3.967 1.00 0.00 C ATOM 284 OE1 GLN A 40 -1.107 3.406 4.349 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.229 3.977 4.807 1.00 0.00 N ATOM 0 H GLN A 40 -2.149 5.233 0.411 1.00 0.00 H new ATOM 0 HA GLN A 40 0.039 4.676 2.069 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.885 2.740 0.732 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.923 2.426 2.163 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.803 4.766 2.205 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.482 3.154 2.312 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.154 4.210 4.447 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.062 3.963 5.813 1.00 0.00 H new ATOM 294 N SER A 41 0.275 3.640 -1.037 1.00 0.00 N ATOM 295 CA SER A 41 1.188 3.104 -2.036 1.00 0.00 C ATOM 296 C SER A 41 2.487 3.894 -2.018 1.00 0.00 C ATOM 297 O SER A 41 3.571 3.327 -1.886 1.00 0.00 O ATOM 298 CB SER A 41 0.555 3.161 -3.428 1.00 0.00 C ATOM 299 OG SER A 41 -0.082 1.937 -3.750 1.00 0.00 O ATOM 0 H SER A 41 -0.609 3.981 -1.415 1.00 0.00 H new ATOM 0 HA SER A 41 1.398 2.061 -1.798 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.171 3.973 -3.468 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.322 3.382 -4.171 1.00 0.00 H new ATOM 0 HG SER A 41 -0.480 2.000 -4.643 1.00 0.00 H new ATOM 305 N ARG A 42 2.366 5.214 -2.120 1.00 0.00 N ATOM 306 CA ARG A 42 3.535 6.082 -2.080 1.00 0.00 C ATOM 307 C ARG A 42 4.195 5.963 -0.717 1.00 0.00 C ATOM 308 O ARG A 42 5.411 6.083 -0.587 1.00 0.00 O ATOM 309 CB ARG A 42 3.159 7.546 -2.348 1.00 0.00 C ATOM 310 CG ARG A 42 1.931 7.726 -3.226 1.00 0.00 C ATOM 311 CD ARG A 42 2.011 9.010 -4.036 1.00 0.00 C ATOM 312 NE ARG A 42 1.460 8.846 -5.379 1.00 0.00 N ATOM 313 CZ ARG A 42 0.159 8.876 -5.657 1.00 0.00 C ATOM 314 NH1 ARG A 42 -0.730 9.063 -4.688 1.00 0.00 N ATOM 315 NH2 ARG A 42 -0.256 8.719 -6.906 1.00 0.00 N ATOM 0 H ARG A 42 1.477 5.702 -2.230 1.00 0.00 H new ATOM 0 HA ARG A 42 4.225 5.767 -2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.986 8.045 -1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.005 8.046 -2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.836 6.874 -3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.036 7.742 -2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.470 9.801 -3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.051 9.329 -4.107 1.00 0.00 H new ATOM 0 HE ARG A 42 2.112 8.700 -6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.417 9.185 -3.725 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.726 9.085 -4.907 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.422 8.575 -7.654 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.253 8.742 -7.119 1.00 0.00 H new ATOM 329 N VAL A 43 3.376 5.708 0.299 1.00 0.00 N ATOM 330 CA VAL A 43 3.870 5.550 1.655 1.00 0.00 C ATOM 331 C VAL A 43 4.767 4.323 1.743 1.00 0.00 C ATOM 332 O VAL A 43 5.903 4.406 2.202 1.00 0.00 O ATOM 333 CB VAL A 43 2.707 5.430 2.662 1.00 0.00 C ATOM 334 CG1 VAL A 43 3.102 4.603 3.876 1.00 0.00 C ATOM 335 CG2 VAL A 43 2.244 6.808 3.093 1.00 0.00 C ATOM 0 H VAL A 43 2.365 5.607 0.204 1.00 0.00 H new ATOM 0 HA VAL A 43 4.448 6.438 1.911 1.00 0.00 H new ATOM 0 HB VAL A 43 1.885 4.916 2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.258 4.540 4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.385 3.600 3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.946 5.075 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.423 6.710 3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.071 7.339 3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.905 7.367 2.221 1.00 0.00 H new ATOM 345 N LEU A 44 4.263 3.183 1.283 1.00 0.00 N ATOM 346 CA LEU A 44 5.051 1.961 1.307 1.00 0.00 C ATOM 347 C LEU A 44 6.398 2.226 0.651 1.00 0.00 C ATOM 348 O LEU A 44 7.442 1.919 1.215 1.00 0.00 O ATOM 349 CB LEU A 44 4.311 0.819 0.589 1.00 0.00 C ATOM 350 CG LEU A 44 4.233 -0.528 1.335 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.360 -1.454 0.902 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.257 -0.339 2.846 1.00 0.00 C ATOM 0 H LEU A 44 3.325 3.082 0.895 1.00 0.00 H new ATOM 0 HA LEU A 44 5.207 1.653 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.295 1.151 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.797 0.649 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 44 3.280 -0.987 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.283 -2.398 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.285 -1.642 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.320 -0.987 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.200 -1.311 3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.182 0.160 3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.406 0.270 3.150 1.00 0.00 H new ATOM 364 N GLU A 45 6.369 2.836 -0.528 1.00 0.00 N ATOM 365 CA GLU A 45 7.598 3.166 -1.233 1.00 0.00 C ATOM 366 C GLU A 45 8.416 4.172 -0.423 1.00 0.00 C ATOM 367 O GLU A 45 9.645 4.185 -0.491 1.00 0.00 O ATOM 368 CB GLU A 45 7.284 3.704 -2.641 1.00 0.00 C ATOM 369 CG GLU A 45 7.276 5.222 -2.758 1.00 0.00 C ATOM 370 CD GLU A 45 8.594 5.773 -3.267 1.00 0.00 C ATOM 371 OE1 GLU A 45 9.616 5.607 -2.568 1.00 0.00 O ATOM 372 OE2 GLU A 45 8.604 6.371 -4.363 1.00 0.00 O ATOM 0 H GLU A 45 5.514 3.110 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 45 8.194 2.261 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.019 3.304 -3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.310 3.325 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.475 5.527 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.056 5.657 -1.783 1.00 0.00 H new ATOM 379 N LYS A 46 7.722 5.006 0.352 1.00 0.00 N ATOM 380 CA LYS A 46 8.385 6.005 1.185 1.00 0.00 C ATOM 381 C LYS A 46 9.083 5.327 2.360 1.00 0.00 C ATOM 382 O LYS A 46 10.275 5.529 2.590 1.00 0.00 O ATOM 383 CB LYS A 46 7.377 7.066 1.667 1.00 0.00 C ATOM 384 CG LYS A 46 6.936 6.930 3.123 1.00 0.00 C ATOM 385 CD LYS A 46 5.963 8.026 3.520 1.00 0.00 C ATOM 386 CE LYS A 46 5.397 7.787 4.911 1.00 0.00 C ATOM 387 NZ LYS A 46 6.118 8.576 5.949 1.00 0.00 N ATOM 0 H LYS A 46 6.704 5.008 0.419 1.00 0.00 H new ATOM 0 HA LYS A 46 9.141 6.516 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.819 8.053 1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.493 7.020 1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.468 5.957 3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.810 6.967 3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.468 8.991 3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.149 8.071 2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.340 8.052 4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.462 6.726 5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.429 9.005 6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.754 7.949 6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.675 9.325 5.491 1.00 0.00 H new ATOM 401 N GLU A 47 8.339 4.506 3.089 1.00 0.00 N ATOM 402 CA GLU A 47 8.903 3.788 4.219 1.00 0.00 C ATOM 403 C GLU A 47 9.890 2.744 3.723 1.00 0.00 C ATOM 404 O GLU A 47 10.898 2.469 4.370 1.00 0.00 O ATOM 405 CB GLU A 47 7.798 3.118 5.036 1.00 0.00 C ATOM 406 CG GLU A 47 6.996 4.080 5.899 1.00 0.00 C ATOM 407 CD GLU A 47 7.863 5.095 6.621 1.00 0.00 C ATOM 408 OE1 GLU A 47 8.986 4.733 7.029 1.00 0.00 O ATOM 409 OE2 GLU A 47 7.417 6.252 6.777 1.00 0.00 O ATOM 0 H GLU A 47 7.350 4.323 2.918 1.00 0.00 H new ATOM 0 HA GLU A 47 9.423 4.499 4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.119 2.604 4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.244 2.357 5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.275 4.606 5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.425 3.511 6.633 1.00 0.00 H new ATOM 416 N CYS A 48 9.589 2.174 2.560 1.00 0.00 N ATOM 417 CA CYS A 48 10.442 1.162 1.956 1.00 0.00 C ATOM 418 C CYS A 48 11.754 1.774 1.481 1.00 0.00 C ATOM 419 O CYS A 48 12.810 1.150 1.587 1.00 0.00 O ATOM 420 CB CYS A 48 9.725 0.489 0.784 1.00 0.00 C ATOM 421 SG CYS A 48 8.370 -0.601 1.279 1.00 0.00 S ATOM 0 H CYS A 48 8.756 2.399 2.017 1.00 0.00 H new ATOM 0 HA CYS A 48 10.664 0.410 2.714 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.334 1.260 0.120 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.451 -0.088 0.210 1.00 0.00 H new ATOM 0 HG CYS A 48 8.791 -1.433 2.185 1.00 0.00 H new ATOM 427 N THR A 49 11.692 3.001 0.965 1.00 0.00 N ATOM 428 CA THR A 49 12.897 3.671 0.494 1.00 0.00 C ATOM 429 C THR A 49 13.857 3.893 1.657 1.00 0.00 C ATOM 430 O THR A 49 15.076 3.885 1.483 1.00 0.00 O ATOM 431 CB THR A 49 12.558 4.999 -0.198 1.00 0.00 C ATOM 432 OG1 THR A 49 13.668 5.469 -0.942 1.00 0.00 O ATOM 433 CG2 THR A 49 12.147 6.107 0.750 1.00 0.00 C ATOM 0 H THR A 49 10.833 3.542 0.865 1.00 0.00 H new ATOM 0 HA THR A 49 13.382 3.032 -0.244 1.00 0.00 H new ATOM 0 HB THR A 49 11.706 4.769 -0.838 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.435 6.315 -1.378 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.925 7.009 0.180 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.260 5.801 1.305 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.960 6.309 1.448 1.00 0.00 H new ATOM 441 N LYS A 50 13.294 4.074 2.850 1.00 0.00 N ATOM 442 CA LYS A 50 14.093 4.281 4.049 1.00 0.00 C ATOM 443 C LYS A 50 14.687 2.962 4.538 1.00 0.00 C ATOM 444 O LYS A 50 15.725 2.946 5.200 1.00 0.00 O ATOM 445 CB LYS A 50 13.237 4.909 5.149 1.00 0.00 C ATOM 446 CG LYS A 50 12.639 6.248 4.753 1.00 0.00 C ATOM 447 CD LYS A 50 11.295 6.477 5.419 1.00 0.00 C ATOM 448 CE LYS A 50 10.958 7.957 5.495 1.00 0.00 C ATOM 449 NZ LYS A 50 10.334 8.319 6.798 1.00 0.00 N ATOM 0 H LYS A 50 12.286 4.081 3.009 1.00 0.00 H new ATOM 0 HA LYS A 50 14.911 4.958 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.432 4.222 5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 50 13.846 5.041 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.324 7.049 5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.521 6.289 3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.518 5.954 4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.308 6.053 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.865 8.544 5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.279 8.217 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.120 9.337 6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.455 7.778 6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.992 8.095 7.572 1.00 0.00 H new ATOM 463 N ILE A 51 14.022 1.854 4.208 1.00 0.00 N ATOM 464 CA ILE A 51 14.487 0.532 4.615 1.00 0.00 C ATOM 465 C ILE A 51 15.928 0.295 4.183 1.00 0.00 C ATOM 466 O ILE A 51 16.303 0.566 3.042 1.00 0.00 O ATOM 467 CB ILE A 51 13.594 -0.585 4.034 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.155 -0.416 4.528 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.136 -1.964 4.406 1.00 0.00 C ATOM 470 CD1 ILE A 51 11.985 -0.697 6.003 1.00 0.00 C ATOM 0 H ILE A 51 13.161 1.848 3.661 1.00 0.00 H new ATOM 0 HA ILE A 51 14.430 0.501 5.703 1.00 0.00 H new ATOM 0 HB ILE A 51 13.602 -0.506 2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.826 0.602 4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.505 -1.083 3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 51 13.490 -2.734 3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.144 -2.078 4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.161 -2.064 5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.941 -0.557 6.282 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.283 -1.724 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.609 -0.013 6.578 1.00 0.00 H new ATOM 606 N LEU A 60 10.096 1.302 12.060 1.00 0.00 N ATOM 607 CA LEU A 60 9.662 1.570 10.696 1.00 0.00 C ATOM 608 C LEU A 60 9.111 0.295 10.066 1.00 0.00 C ATOM 609 O LEU A 60 7.962 0.257 9.628 1.00 0.00 O ATOM 610 CB LEU A 60 10.829 2.134 9.869 1.00 0.00 C ATOM 611 CG LEU A 60 10.968 1.589 8.441 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.686 1.811 7.654 1.00 0.00 C ATOM 613 CD2 LEU A 60 12.147 2.243 7.737 1.00 0.00 C ATOM 0 HA LEU A 60 8.867 2.316 10.712 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.719 3.217 9.814 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.757 1.935 10.404 1.00 0.00 H new ATOM 0 HG LEU A 60 11.151 0.516 8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.806 1.417 6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.862 1.297 8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.470 2.878 7.604 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.233 1.846 6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.992 3.321 7.692 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.063 2.031 8.288 1.00 0.00 H new ATOM 625 N ARG A 61 9.934 -0.748 10.027 1.00 0.00 N ATOM 626 CA ARG A 61 9.516 -2.020 9.455 1.00 0.00 C ATOM 627 C ARG A 61 8.325 -2.567 10.222 1.00 0.00 C ATOM 628 O ARG A 61 7.391 -3.112 9.634 1.00 0.00 O ATOM 629 CB ARG A 61 10.674 -3.013 9.477 1.00 0.00 C ATOM 630 CG ARG A 61 12.004 -2.365 9.148 1.00 0.00 C ATOM 631 CD ARG A 61 13.126 -3.374 9.106 1.00 0.00 C ATOM 632 NE ARG A 61 14.188 -2.956 8.197 1.00 0.00 N ATOM 633 CZ ARG A 61 15.300 -3.651 7.982 1.00 0.00 C ATOM 634 NH1 ARG A 61 15.503 -4.804 8.607 1.00 0.00 N ATOM 635 NH2 ARG A 61 16.213 -3.190 7.139 1.00 0.00 N ATOM 0 H ARG A 61 10.890 -0.737 10.383 1.00 0.00 H new ATOM 0 HA ARG A 61 9.218 -1.864 8.418 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.733 -3.475 10.463 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.476 -3.812 8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.933 -1.860 8.185 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.230 -1.601 9.892 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.535 -3.507 10.108 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.735 -4.341 8.790 1.00 0.00 H new ATOM 0 HE ARG A 61 14.070 -2.076 7.695 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.803 -5.162 9.257 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.359 -5.332 8.437 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.061 -2.304 6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.068 -3.721 6.972 1.00 0.00 H new ATOM 649 N TYR A 62 8.347 -2.385 11.538 1.00 0.00 N ATOM 650 CA TYR A 62 7.244 -2.830 12.374 1.00 0.00 C ATOM 651 C TYR A 62 5.999 -2.048 11.998 1.00 0.00 C ATOM 652 O TYR A 62 4.949 -2.621 11.727 1.00 0.00 O ATOM 653 CB TYR A 62 7.573 -2.636 13.856 1.00 0.00 C ATOM 654 CG TYR A 62 7.812 -3.932 14.594 1.00 0.00 C ATOM 655 CD1 TYR A 62 6.752 -4.655 15.121 1.00 0.00 C ATOM 656 CD2 TYR A 62 9.098 -4.433 14.762 1.00 0.00 C ATOM 657 CE1 TYR A 62 6.962 -5.841 15.796 1.00 0.00 C ATOM 658 CE2 TYR A 62 9.317 -5.619 15.436 1.00 0.00 C ATOM 659 CZ TYR A 62 8.246 -6.320 15.951 1.00 0.00 C ATOM 660 OH TYR A 62 8.460 -7.501 16.624 1.00 0.00 O ATOM 0 H TYR A 62 9.111 -1.936 12.043 1.00 0.00 H new ATOM 0 HA TYR A 62 7.072 -3.894 12.211 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.459 -2.008 13.944 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.754 -2.100 14.335 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.745 -4.284 15.001 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.938 -3.887 14.360 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.125 -6.391 16.201 1.00 0.00 H new ATOM 0 HE2 TYR A 62 10.322 -5.996 15.559 1.00 0.00 H new ATOM 0 HH TYR A 62 9.420 -7.697 16.643 1.00 0.00 H new ATOM 670 N LYS A 63 6.140 -0.731 11.946 1.00 0.00 N ATOM 671 CA LYS A 63 5.041 0.139 11.562 1.00 0.00 C ATOM 672 C LYS A 63 4.591 -0.213 10.148 1.00 0.00 C ATOM 673 O LYS A 63 3.403 -0.187 9.831 1.00 0.00 O ATOM 674 CB LYS A 63 5.491 1.604 11.641 1.00 0.00 C ATOM 675 CG LYS A 63 4.538 2.590 10.985 1.00 0.00 C ATOM 676 CD LYS A 63 5.289 3.755 10.362 1.00 0.00 C ATOM 677 CE LYS A 63 5.458 3.572 8.862 1.00 0.00 C ATOM 678 NZ LYS A 63 4.522 4.436 8.090 1.00 0.00 N ATOM 0 H LYS A 63 7.008 -0.242 12.166 1.00 0.00 H new ATOM 0 HA LYS A 63 4.201 -0.000 12.243 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.613 1.878 12.689 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.470 1.696 11.171 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.954 2.080 10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.832 2.965 11.726 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.751 4.682 10.558 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.269 3.850 10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.485 3.806 8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.287 2.527 8.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.848 4.507 7.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.569 4.020 8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.495 5.385 8.515 1.00 0.00 H new ATOM 692 N ILE A 64 5.559 -0.548 9.306 1.00 0.00 N ATOM 693 CA ILE A 64 5.293 -0.914 7.929 1.00 0.00 C ATOM 694 C ILE A 64 4.463 -2.198 7.841 1.00 0.00 C ATOM 695 O ILE A 64 3.421 -2.232 7.186 1.00 0.00 O ATOM 696 CB ILE A 64 6.627 -1.083 7.157 1.00 0.00 C ATOM 697 CG1 ILE A 64 6.824 0.082 6.189 1.00 0.00 C ATOM 698 CG2 ILE A 64 6.694 -2.414 6.418 1.00 0.00 C ATOM 699 CD1 ILE A 64 7.969 -0.114 5.218 1.00 0.00 C ATOM 0 H ILE A 64 6.546 -0.573 9.561 1.00 0.00 H new ATOM 0 HA ILE A 64 4.713 -0.111 7.473 1.00 0.00 H new ATOM 0 HB ILE A 64 7.436 -1.081 7.888 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.904 0.232 5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.999 0.992 6.762 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.645 -2.490 5.891 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.609 -3.232 7.133 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.876 -2.473 5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.045 0.755 4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.900 -0.233 5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.788 -1.005 4.617 1.00 0.00 H new ATOM 711 N GLU A 65 4.947 -3.257 8.485 1.00 0.00 N ATOM 712 CA GLU A 65 4.269 -4.551 8.455 1.00 0.00 C ATOM 713 C GLU A 65 3.085 -4.613 9.418 1.00 0.00 C ATOM 714 O GLU A 65 2.137 -5.363 9.189 1.00 0.00 O ATOM 715 CB GLU A 65 5.260 -5.669 8.786 1.00 0.00 C ATOM 716 CG GLU A 65 6.132 -6.076 7.610 1.00 0.00 C ATOM 717 CD GLU A 65 5.667 -7.363 6.957 1.00 0.00 C ATOM 718 OE1 GLU A 65 5.390 -8.335 7.691 1.00 0.00 O ATOM 719 OE2 GLU A 65 5.580 -7.399 5.712 1.00 0.00 O ATOM 0 H GLU A 65 5.806 -3.245 9.034 1.00 0.00 H new ATOM 0 HA GLU A 65 3.878 -4.684 7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.900 -5.345 9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.708 -6.541 9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.132 -5.277 6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.161 -6.196 7.950 1.00 0.00 H new ATOM 726 N THR A 66 3.149 -3.855 10.506 1.00 0.00 N ATOM 727 CA THR A 66 2.087 -3.864 11.496 1.00 0.00 C ATOM 728 C THR A 66 1.107 -2.701 11.316 1.00 0.00 C ATOM 729 O THR A 66 0.070 -2.661 11.978 1.00 0.00 O ATOM 730 CB THR A 66 2.691 -3.821 12.897 1.00 0.00 C ATOM 731 OG1 THR A 66 3.081 -2.503 13.240 1.00 0.00 O ATOM 732 CG2 THR A 66 3.897 -4.721 13.063 1.00 0.00 C ATOM 0 H THR A 66 3.925 -3.229 10.722 1.00 0.00 H new ATOM 0 HA THR A 66 1.521 -4.786 11.358 1.00 0.00 H new ATOM 0 HB THR A 66 1.902 -4.180 13.558 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.621 -2.123 12.516 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.274 -4.640 14.082 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.611 -5.754 12.863 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.676 -4.418 12.363 1.00 0.00 H new ATOM 740 N GLU A 67 1.427 -1.751 10.435 1.00 0.00 N ATOM 741 CA GLU A 67 0.540 -0.607 10.222 1.00 0.00 C ATOM 742 C GLU A 67 0.334 -0.292 8.735 1.00 0.00 C ATOM 743 O GLU A 67 -0.801 -0.128 8.289 1.00 0.00 O ATOM 744 CB GLU A 67 1.073 0.624 10.979 1.00 0.00 C ATOM 745 CG GLU A 67 1.246 1.875 10.125 1.00 0.00 C ATOM 746 CD GLU A 67 1.509 3.117 10.955 1.00 0.00 C ATOM 747 OE1 GLU A 67 1.664 2.987 12.188 1.00 0.00 O ATOM 748 OE2 GLU A 67 1.559 4.220 10.372 1.00 0.00 O ATOM 0 H GLU A 67 2.275 -1.749 9.869 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.439 -0.874 10.620 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.391 0.852 11.798 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.034 0.370 11.425 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.073 1.725 9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.349 2.027 9.524 1.00 0.00 H new ATOM 755 N LEU A 68 1.421 -0.186 7.973 1.00 0.00 N ATOM 756 CA LEU A 68 1.312 0.136 6.550 1.00 0.00 C ATOM 757 C LEU A 68 0.700 -1.017 5.755 1.00 0.00 C ATOM 758 O LEU A 68 -0.514 -1.058 5.560 1.00 0.00 O ATOM 759 CB LEU A 68 2.676 0.518 5.970 1.00 0.00 C ATOM 760 CG LEU A 68 3.220 1.875 6.427 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.472 2.239 5.644 1.00 0.00 C ATOM 762 CD2 LEU A 68 2.161 2.957 6.273 1.00 0.00 C ATOM 0 H LEU A 68 2.375 -0.316 8.310 1.00 0.00 H new ATOM 0 HA LEU A 68 0.644 0.993 6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.397 -0.254 6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.603 0.521 4.882 1.00 0.00 H new ATOM 0 HG LEU A 68 3.483 1.801 7.482 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.844 3.206 5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.236 1.479 5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.234 2.293 4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.567 3.913 6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.865 3.030 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.291 2.704 6.879 1.00 0.00 H new ATOM 774 N ILE A 69 1.542 -1.944 5.287 1.00 0.00 N ATOM 775 CA ILE A 69 1.078 -3.092 4.501 1.00 0.00 C ATOM 776 C ILE A 69 -0.287 -3.598 4.981 1.00 0.00 C ATOM 777 O ILE A 69 -1.228 -3.690 4.193 1.00 0.00 O ATOM 778 CB ILE A 69 2.116 -4.243 4.528 1.00 0.00 C ATOM 779 CG1 ILE A 69 3.195 -3.998 3.471 1.00 0.00 C ATOM 780 CG2 ILE A 69 1.457 -5.601 4.300 1.00 0.00 C ATOM 781 CD1 ILE A 69 4.603 -4.225 3.975 1.00 0.00 C ATOM 0 H ILE A 69 2.550 -1.922 5.439 1.00 0.00 H new ATOM 0 HA ILE A 69 0.965 -2.748 3.473 1.00 0.00 H new ATOM 0 HB ILE A 69 2.573 -4.258 5.517 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.013 -4.654 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.109 -2.974 3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.216 -6.383 4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.721 -5.784 5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.963 -5.607 3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.313 -4.032 3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.805 -3.550 4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.707 -5.257 4.311 1.00 0.00 H new ATOM 793 N PRO A 70 -0.420 -3.930 6.277 1.00 0.00 N ATOM 794 CA PRO A 70 -1.683 -4.420 6.833 1.00 0.00 C ATOM 795 C PRO A 70 -2.853 -3.506 6.486 1.00 0.00 C ATOM 796 O PRO A 70 -3.959 -3.972 6.223 1.00 0.00 O ATOM 797 CB PRO A 70 -1.446 -4.431 8.350 1.00 0.00 C ATOM 798 CG PRO A 70 -0.165 -3.695 8.565 1.00 0.00 C ATOM 799 CD PRO A 70 0.628 -3.858 7.302 1.00 0.00 C ATOM 0 HA PRO A 70 -1.946 -5.398 6.431 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.268 -3.948 8.878 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.380 -5.451 8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.352 -2.642 8.774 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.377 -4.099 9.420 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.302 -3.018 7.135 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.240 -4.760 7.321 1.00 0.00 H new ATOM 807 N ASN A 71 -2.597 -2.202 6.489 1.00 0.00 N ATOM 808 CA ASN A 71 -3.627 -1.219 6.175 1.00 0.00 C ATOM 809 C ASN A 71 -3.765 -1.035 4.667 1.00 0.00 C ATOM 810 O ASN A 71 -4.872 -0.871 4.153 1.00 0.00 O ATOM 811 CB ASN A 71 -3.302 0.123 6.836 1.00 0.00 C ATOM 812 CG ASN A 71 -3.540 0.102 8.333 1.00 0.00 C ATOM 813 OD1 ASN A 71 -4.160 -0.821 8.861 1.00 0.00 O ATOM 814 ND2 ASN A 71 -3.047 1.122 9.025 1.00 0.00 N ATOM 0 H ASN A 71 -1.684 -1.801 6.706 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.575 -1.589 6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.261 0.379 6.640 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.913 0.905 6.385 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.176 1.162 10.036 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.539 1.866 8.546 1.00 0.00 H new ATOM 821 N CYS A 72 -2.639 -1.069 3.961 1.00 0.00 N ATOM 822 CA CYS A 72 -2.650 -0.911 2.512 1.00 0.00 C ATOM 823 C CYS A 72 -3.421 -2.052 1.867 1.00 0.00 C ATOM 824 O CYS A 72 -4.360 -1.827 1.104 1.00 0.00 O ATOM 825 CB CYS A 72 -1.224 -0.858 1.953 1.00 0.00 C ATOM 826 SG CYS A 72 -0.068 0.121 2.939 1.00 0.00 S ATOM 0 H CYS A 72 -1.713 -1.204 4.366 1.00 0.00 H new ATOM 0 HA CYS A 72 -3.143 0.032 2.277 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.841 -1.875 1.872 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.258 -0.448 0.943 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.428 0.089 4.188 1.00 0.00 H new ATOM 832 N THR A 73 -3.031 -3.280 2.191 1.00 0.00 N ATOM 833 CA THR A 73 -3.704 -4.450 1.652 1.00 0.00 C ATOM 834 C THR A 73 -5.137 -4.502 2.169 1.00 0.00 C ATOM 835 O THR A 73 -6.070 -4.755 1.412 1.00 0.00 O ATOM 836 CB THR A 73 -2.947 -5.728 2.024 1.00 0.00 C ATOM 837 OG1 THR A 73 -3.299 -6.790 1.156 1.00 0.00 O ATOM 838 CG2 THR A 73 -3.206 -6.189 3.441 1.00 0.00 C ATOM 0 H THR A 73 -2.256 -3.488 2.821 1.00 0.00 H new ATOM 0 HA THR A 73 -3.724 -4.377 0.565 1.00 0.00 H new ATOM 0 HB THR A 73 -1.891 -5.474 1.930 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.804 -7.597 1.409 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.639 -7.099 3.637 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.897 -5.411 4.139 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.270 -6.390 3.570 1.00 0.00 H new ATOM 846 N SER A 74 -5.313 -4.226 3.461 1.00 0.00 N ATOM 847 CA SER A 74 -6.648 -4.210 4.048 1.00 0.00 C ATOM 848 C SER A 74 -7.517 -3.233 3.270 1.00 0.00 C ATOM 849 O SER A 74 -8.725 -3.425 3.127 1.00 0.00 O ATOM 850 CB SER A 74 -6.592 -3.808 5.522 1.00 0.00 C ATOM 851 OG SER A 74 -6.233 -4.909 6.339 1.00 0.00 O ATOM 0 H SER A 74 -4.557 -4.013 4.112 1.00 0.00 H new ATOM 0 HA SER A 74 -7.075 -5.211 3.992 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.870 -3.002 5.655 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.562 -3.421 5.834 1.00 0.00 H new ATOM 0 HG SER A 74 -5.257 -4.958 6.412 1.00 0.00 H new ATOM 857 N VAL A 75 -6.871 -2.194 2.746 1.00 0.00 N ATOM 858 CA VAL A 75 -7.546 -1.186 1.950 1.00 0.00 C ATOM 859 C VAL A 75 -7.974 -1.795 0.613 1.00 0.00 C ATOM 860 O VAL A 75 -8.978 -1.392 0.026 1.00 0.00 O ATOM 861 CB VAL A 75 -6.620 0.044 1.746 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.467 0.420 0.281 1.00 0.00 C ATOM 863 CG2 VAL A 75 -7.121 1.234 2.551 1.00 0.00 C ATOM 0 H VAL A 75 -5.871 -2.032 2.863 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.439 -0.842 2.472 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.632 -0.240 2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.810 1.286 0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.037 -0.418 -0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.444 0.663 -0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.458 2.085 2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.129 1.494 2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.136 0.977 3.610 1.00 0.00 H new ATOM 873 N ARG A 76 -7.216 -2.796 0.157 1.00 0.00 N ATOM 874 CA ARG A 76 -7.529 -3.492 -1.085 1.00 0.00 C ATOM 875 C ARG A 76 -8.814 -4.285 -0.912 1.00 0.00 C ATOM 876 O ARG A 76 -9.777 -4.098 -1.653 1.00 0.00 O ATOM 877 CB ARG A 76 -6.401 -4.453 -1.468 1.00 0.00 C ATOM 878 CG ARG A 76 -5.094 -3.769 -1.829 1.00 0.00 C ATOM 879 CD ARG A 76 -3.984 -4.788 -2.040 1.00 0.00 C ATOM 880 NE ARG A 76 -4.359 -5.812 -3.010 1.00 0.00 N ATOM 881 CZ ARG A 76 -3.548 -6.791 -3.406 1.00 0.00 C ATOM 882 NH1 ARG A 76 -2.317 -6.881 -2.918 1.00 0.00 N ATOM 883 NH2 ARG A 76 -3.970 -7.683 -4.292 1.00 0.00 N ATOM 0 H ARG A 76 -6.382 -3.140 0.633 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.646 -2.750 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.223 -5.136 -0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.727 -5.058 -2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.227 -3.178 -2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.811 -3.077 -1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.083 -4.278 -2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.741 -5.261 -1.089 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.297 -5.776 -3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.988 -6.198 -2.236 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.700 -7.633 -3.225 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.915 -7.619 -4.670 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.349 -8.433 -4.596 1.00 0.00 H new ATOM 897 N ASP A 77 -8.822 -5.169 0.087 1.00 0.00 N ATOM 898 CA ASP A 77 -9.992 -5.991 0.376 1.00 0.00 C ATOM 899 C ASP A 77 -11.245 -5.126 0.410 1.00 0.00 C ATOM 900 O ASP A 77 -12.324 -5.556 0.001 1.00 0.00 O ATOM 901 CB ASP A 77 -9.818 -6.718 1.711 1.00 0.00 C ATOM 902 CG ASP A 77 -10.345 -8.139 1.667 1.00 0.00 C ATOM 903 OD1 ASP A 77 -10.073 -8.843 0.672 1.00 0.00 O ATOM 904 OD2 ASP A 77 -11.029 -8.549 2.628 1.00 0.00 O ATOM 0 H ASP A 77 -8.030 -5.332 0.708 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.097 -6.735 -0.414 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.761 -6.733 1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.337 -6.165 2.494 1.00 0.00 H new ATOM 909 N LYS A 78 -11.084 -3.895 0.884 1.00 0.00 N ATOM 910 CA LYS A 78 -12.191 -2.955 0.953 1.00 0.00 C ATOM 911 C LYS A 78 -12.601 -2.543 -0.453 1.00 0.00 C ATOM 912 O LYS A 78 -13.788 -2.454 -0.770 1.00 0.00 O ATOM 913 CB LYS A 78 -11.792 -1.724 1.774 1.00 0.00 C ATOM 914 CG LYS A 78 -12.031 -1.885 3.267 1.00 0.00 C ATOM 915 CD LYS A 78 -12.679 -0.647 3.866 1.00 0.00 C ATOM 916 CE LYS A 78 -11.654 0.442 4.135 1.00 0.00 C ATOM 917 NZ LYS A 78 -12.245 1.588 4.881 1.00 0.00 N ATOM 0 H LYS A 78 -10.196 -3.527 1.226 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.037 -3.436 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.737 -1.511 1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.353 -0.861 1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.669 -2.751 3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.083 -2.080 3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.443 -0.270 3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.183 -0.912 4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.824 0.026 4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.244 0.797 3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.514 2.310 5.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.021 2.001 4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.613 1.255 5.795 1.00 0.00 H new ATOM 931 N ILE A 79 -11.603 -2.313 -1.298 1.00 0.00 N ATOM 932 CA ILE A 79 -11.840 -1.932 -2.679 1.00 0.00 C ATOM 933 C ILE A 79 -12.374 -3.122 -3.467 1.00 0.00 C ATOM 934 O ILE A 79 -13.356 -3.006 -4.200 1.00 0.00 O ATOM 935 CB ILE A 79 -10.539 -1.412 -3.327 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.190 -0.035 -2.763 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.662 -1.356 -4.842 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.732 0.331 -2.925 1.00 0.00 C ATOM 0 H ILE A 79 -10.617 -2.385 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.581 -1.133 -2.695 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.734 -2.107 -3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.803 0.718 -3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.448 -0.009 -1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.730 -0.986 -5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.867 -2.355 -5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.478 -0.687 -5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.556 1.320 -2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.113 -0.401 -2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.474 0.337 -3.984 1.00 0.00 H new ATOM 950 N GLU A 80 -11.726 -4.269 -3.298 1.00 0.00 N ATOM 951 CA GLU A 80 -12.142 -5.483 -3.980 1.00 0.00 C ATOM 952 C GLU A 80 -13.506 -5.927 -3.472 1.00 0.00 C ATOM 953 O GLU A 80 -14.308 -6.485 -4.222 1.00 0.00 O ATOM 954 CB GLU A 80 -11.115 -6.595 -3.767 1.00 0.00 C ATOM 955 CG GLU A 80 -9.722 -6.231 -4.247 1.00 0.00 C ATOM 956 CD GLU A 80 -8.745 -7.384 -4.132 1.00 0.00 C ATOM 957 OE1 GLU A 80 -8.505 -7.848 -2.998 1.00 0.00 O ATOM 958 OE2 GLU A 80 -8.219 -7.823 -5.177 1.00 0.00 O ATOM 0 H GLU A 80 -10.911 -4.381 -2.694 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.212 -5.275 -5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.073 -6.841 -2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.448 -7.492 -4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.773 -5.906 -5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.351 -5.386 -3.667 1.00 0.00 H new ATOM 965 N SER A 81 -13.771 -5.660 -2.195 1.00 0.00 N ATOM 966 CA SER A 81 -15.050 -6.018 -1.596 1.00 0.00 C ATOM 967 C SER A 81 -16.175 -5.282 -2.310 1.00 0.00 C ATOM 968 O SER A 81 -17.277 -5.805 -2.470 1.00 0.00 O ATOM 969 CB SER A 81 -15.059 -5.677 -0.105 1.00 0.00 C ATOM 970 OG SER A 81 -16.362 -5.798 0.438 1.00 0.00 O ATOM 0 H SER A 81 -13.119 -5.199 -1.560 1.00 0.00 H new ATOM 0 HA SER A 81 -15.200 -7.092 -1.703 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.377 -6.340 0.427 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.694 -4.660 0.041 1.00 0.00 H new ATOM 0 HG SER A 81 -16.341 -5.576 1.392 1.00 0.00 H new ATOM 976 N ASN A 82 -15.873 -4.065 -2.749 1.00 0.00 N ATOM 977 CA ASN A 82 -16.838 -3.243 -3.463 1.00 0.00 C ATOM 978 C ASN A 82 -16.955 -3.709 -4.913 1.00 0.00 C ATOM 979 O ASN A 82 -16.166 -3.312 -5.770 1.00 0.00 O ATOM 980 CB ASN A 82 -16.408 -1.779 -3.408 1.00 0.00 C ATOM 981 CG ASN A 82 -17.524 -0.827 -3.778 1.00 0.00 C ATOM 982 OD1 ASN A 82 -18.636 -0.917 -3.258 1.00 0.00 O ATOM 983 ND2 ASN A 82 -17.228 0.092 -4.685 1.00 0.00 N ATOM 0 H ASN A 82 -14.961 -3.626 -2.621 1.00 0.00 H new ATOM 0 HA ASN A 82 -17.814 -3.343 -2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.056 -1.546 -2.403 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.567 -1.626 -4.084 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.936 0.764 -4.980 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.292 0.128 -5.088 1.00 0.00 H new ATOM 990 N ILE A 83 -17.936 -4.569 -5.172 1.00 0.00 N ATOM 991 CA ILE A 83 -18.158 -5.118 -6.509 1.00 0.00 C ATOM 992 C ILE A 83 -18.078 -4.046 -7.598 1.00 0.00 C ATOM 993 O ILE A 83 -17.713 -4.335 -8.737 1.00 0.00 O ATOM 994 CB ILE A 83 -19.521 -5.847 -6.588 1.00 0.00 C ATOM 995 CG1 ILE A 83 -19.493 -6.922 -7.679 1.00 0.00 C ATOM 996 CG2 ILE A 83 -20.659 -4.862 -6.828 1.00 0.00 C ATOM 997 CD1 ILE A 83 -19.406 -6.367 -9.084 1.00 0.00 C ATOM 0 H ILE A 83 -18.595 -4.904 -4.469 1.00 0.00 H new ATOM 0 HA ILE A 83 -17.357 -5.835 -6.689 1.00 0.00 H new ATOM 0 HB ILE A 83 -19.699 -6.334 -5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -18.642 -7.580 -7.505 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -20.391 -7.534 -7.596 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -21.604 -5.403 -6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -20.696 -4.143 -6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -20.492 -4.335 -7.767 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -19.391 -7.189 -9.800 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -20.271 -5.732 -9.279 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -18.494 -5.779 -9.187 1.00 0.00 H new ATOM 1009 N LEU A 84 -18.415 -2.810 -7.246 1.00 0.00 N ATOM 1010 CA LEU A 84 -18.375 -1.711 -8.205 1.00 0.00 C ATOM 1011 C LEU A 84 -16.996 -1.588 -8.851 1.00 0.00 C ATOM 1012 O LEU A 84 -16.856 -1.001 -9.924 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.753 -0.399 -7.522 1.00 0.00 C ATOM 1014 CG LEU A 84 -20.254 -0.126 -7.434 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.581 0.673 -6.183 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.734 0.606 -8.678 1.00 0.00 C ATOM 0 H LEU A 84 -18.717 -2.544 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 84 -19.099 -1.926 -8.991 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.339 -0.399 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.280 0.423 -8.060 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.775 -1.082 -7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.654 0.857 -6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.273 0.111 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -20.051 1.625 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.805 0.793 -8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -20.206 1.555 -8.768 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.536 -0.005 -9.559 1.00 0.00 H new ATOM 1028 N ILE A 85 -15.981 -2.148 -8.198 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.621 -2.099 -8.719 1.00 0.00 C ATOM 1030 C ILE A 85 -14.496 -2.930 -9.994 1.00 0.00 C ATOM 1031 O ILE A 85 -13.690 -2.623 -10.872 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.602 -2.603 -7.674 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -12.173 -2.484 -8.208 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -13.906 -4.040 -7.279 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.449 -1.250 -7.721 1.00 0.00 C ATOM 0 H ILE A 85 -16.076 -2.640 -7.309 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.400 -1.057 -8.949 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.688 -1.976 -6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.608 -3.368 -7.912 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -12.200 -2.473 -9.298 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -13.177 -4.377 -6.542 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -14.907 -4.096 -6.851 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -13.852 -4.679 -8.161 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.442 -1.230 -8.139 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.992 -0.360 -8.040 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.390 -1.268 -6.633 1.00 0.00 H new ATOM 1047 N HIS A 86 -15.301 -3.983 -10.090 1.00 0.00 N ATOM 1048 CA HIS A 86 -15.279 -4.857 -11.257 1.00 0.00 C ATOM 1049 C HIS A 86 -16.164 -4.311 -12.376 1.00 0.00 C ATOM 1050 O HIS A 86 -15.979 -4.653 -13.544 1.00 0.00 O ATOM 1051 CB HIS A 86 -15.736 -6.265 -10.874 1.00 0.00 C ATOM 1052 CG HIS A 86 -14.818 -6.950 -9.908 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -13.894 -7.898 -10.292 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -14.686 -6.820 -8.566 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -13.233 -8.323 -9.230 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -13.694 -7.684 -8.171 1.00 0.00 N ATOM 0 H HIS A 86 -15.976 -4.252 -9.374 1.00 0.00 H new ATOM 0 HA HIS A 86 -14.253 -4.898 -11.623 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -16.733 -6.208 -10.437 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -15.817 -6.870 -11.777 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -15.254 -6.161 -7.927 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -12.449 -9.066 -9.229 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -13.366 -7.811 -7.213 1.00 0.00 H new ATOM 1065 N GLN A 87 -17.126 -3.464 -12.017 1.00 0.00 N ATOM 1066 CA GLN A 87 -18.033 -2.882 -12.999 1.00 0.00 C ATOM 1067 C GLN A 87 -17.379 -1.696 -13.705 1.00 0.00 C ATOM 1068 O GLN A 87 -17.391 -1.606 -14.932 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.347 -2.465 -12.319 1.00 0.00 C ATOM 1070 CG GLN A 87 -19.511 -0.966 -12.104 1.00 0.00 C ATOM 1071 CD GLN A 87 -20.889 -0.600 -11.588 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -21.502 0.363 -12.049 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -21.385 -1.367 -10.624 1.00 0.00 N ATOM 0 H GLN A 87 -17.296 -3.167 -11.056 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.259 -3.633 -13.756 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -20.181 -2.824 -12.922 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.414 -2.965 -11.353 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.758 -0.619 -11.396 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.329 -0.445 -13.044 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.843 -2.156 -10.270 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -22.307 -1.167 -10.237 1.00 0.00 H new ATOM 1082 N ASN A 88 -16.814 -0.789 -12.917 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.158 0.394 -13.463 1.00 0.00 C ATOM 1084 C ASN A 88 -14.757 0.055 -13.964 1.00 0.00 C ATOM 1085 O ASN A 88 -13.829 -0.117 -13.174 1.00 0.00 O ATOM 1086 CB ASN A 88 -16.084 1.499 -12.405 1.00 0.00 C ATOM 1087 CG ASN A 88 -16.690 2.803 -12.888 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -16.498 3.201 -14.037 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -17.425 3.475 -12.010 1.00 0.00 N ATOM 0 H ASN A 88 -16.797 -0.849 -11.899 1.00 0.00 H new ATOM 0 HA ASN A 88 -16.749 0.751 -14.306 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -16.604 1.172 -11.504 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -15.043 1.665 -12.129 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -17.857 4.359 -12.278 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -17.557 3.107 -11.068 1.00 0.00 H new ATOM 1096 N GLY A 89 -14.613 -0.041 -15.282 1.00 0.00 N ATOM 1097 CA GLY A 89 -13.324 -0.360 -15.868 1.00 0.00 C ATOM 1098 C GLY A 89 -12.242 0.620 -15.461 1.00 0.00 C ATOM 1099 O GLY A 89 -11.109 0.226 -15.188 1.00 0.00 O ATOM 0 H GLY A 89 -15.367 0.097 -15.955 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.031 -1.366 -15.567 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.414 -0.366 -16.954 1.00 0.00 H new ATOM 1103 N LYS A 90 -12.593 1.901 -15.420 1.00 0.00 N ATOM 1104 CA LYS A 90 -11.643 2.941 -15.041 1.00 0.00 C ATOM 1105 C LYS A 90 -11.108 2.696 -13.634 1.00 0.00 C ATOM 1106 O LYS A 90 -9.910 2.486 -13.443 1.00 0.00 O ATOM 1107 CB LYS A 90 -12.304 4.320 -15.121 1.00 0.00 C ATOM 1108 CG LYS A 90 -11.615 5.269 -16.087 1.00 0.00 C ATOM 1109 CD LYS A 90 -11.921 6.721 -15.755 1.00 0.00 C ATOM 1110 CE LYS A 90 -13.408 7.016 -15.862 1.00 0.00 C ATOM 1111 NZ LYS A 90 -13.791 7.454 -17.232 1.00 0.00 N ATOM 0 H LYS A 90 -13.527 2.244 -15.644 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.806 2.910 -15.739 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.344 4.198 -15.424 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.312 4.768 -14.127 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.538 5.106 -16.053 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.938 5.052 -17.105 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.576 6.945 -14.745 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.370 7.374 -16.432 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.975 6.124 -15.594 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.677 7.792 -15.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.813 7.645 -17.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.269 8.319 -17.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.559 6.704 -17.914 1.00 0.00 H new ATOM 1125 N LEU A 91 -12.003 2.724 -12.652 1.00 0.00 N ATOM 1126 CA LEU A 91 -11.617 2.505 -11.264 1.00 0.00 C ATOM 1127 C LEU A 91 -10.956 1.145 -11.089 1.00 0.00 C ATOM 1128 O LEU A 91 -9.977 1.010 -10.354 1.00 0.00 O ATOM 1129 CB LEU A 91 -12.834 2.607 -10.351 1.00 0.00 C ATOM 1130 CG LEU A 91 -13.140 4.014 -9.850 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -14.404 4.007 -9.010 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -11.964 4.565 -9.053 1.00 0.00 C ATOM 0 H LEU A 91 -12.999 2.896 -12.792 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.898 3.278 -10.991 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -13.705 2.229 -10.886 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -12.681 1.955 -9.491 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.301 4.665 -10.710 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.612 5.017 -8.658 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -15.240 3.653 -9.614 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -14.269 3.345 -8.155 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.200 5.570 -8.703 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.770 3.919 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.079 4.601 -9.688 1.00 0.00 H new ATOM 1144 N SER A 92 -11.495 0.139 -11.771 1.00 0.00 N ATOM 1145 CA SER A 92 -10.951 -1.215 -11.696 1.00 0.00 C ATOM 1146 C SER A 92 -9.437 -1.185 -11.860 1.00 0.00 C ATOM 1147 O SER A 92 -8.709 -1.901 -11.172 1.00 0.00 O ATOM 1148 CB SER A 92 -11.578 -2.102 -12.773 1.00 0.00 C ATOM 1149 OG SER A 92 -11.267 -3.467 -12.555 1.00 0.00 O ATOM 0 H SER A 92 -12.307 0.234 -12.381 1.00 0.00 H new ATOM 0 HA SER A 92 -11.191 -1.631 -10.717 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.660 -1.968 -12.774 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.218 -1.796 -13.755 1.00 0.00 H new ATOM 0 HG SER A 92 -11.681 -4.013 -13.256 1.00 0.00 H new ATOM 1155 N ALA A 93 -8.974 -0.333 -12.766 1.00 0.00 N ATOM 1156 CA ALA A 93 -7.549 -0.182 -13.019 1.00 0.00 C ATOM 1157 C ALA A 93 -6.894 0.623 -11.904 1.00 0.00 C ATOM 1158 O ALA A 93 -5.726 0.417 -11.575 1.00 0.00 O ATOM 1159 CB ALA A 93 -7.322 0.492 -14.363 1.00 0.00 C ATOM 0 H ALA A 93 -9.568 0.266 -13.339 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.093 -1.172 -13.044 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.252 0.599 -14.540 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.762 -0.116 -15.154 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.789 1.477 -14.360 1.00 0.00 H new ATOM 1165 N ASP A 94 -7.663 1.541 -11.323 1.00 0.00 N ATOM 1166 CA ASP A 94 -7.176 2.385 -10.237 1.00 0.00 C ATOM 1167 C ASP A 94 -6.473 1.554 -9.168 1.00 0.00 C ATOM 1168 O ASP A 94 -5.253 1.609 -9.029 1.00 0.00 O ATOM 1169 CB ASP A 94 -8.335 3.164 -9.611 1.00 0.00 C ATOM 1170 CG ASP A 94 -7.963 4.600 -9.295 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -6.824 4.831 -8.838 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -8.811 5.493 -9.504 1.00 0.00 O ATOM 0 H ASP A 94 -8.631 1.719 -11.589 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.455 3.087 -10.655 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.186 3.154 -10.292 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.653 2.664 -8.696 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.255 0.784 -8.418 1.00 0.00 N ATOM 1178 CA PHE A 95 -6.715 -0.061 -7.360 1.00 0.00 C ATOM 1179 C PHE A 95 -5.724 -1.078 -7.925 1.00 0.00 C ATOM 1180 O PHE A 95 -4.686 -1.349 -7.320 1.00 0.00 O ATOM 1181 CB PHE A 95 -7.863 -0.765 -6.629 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.624 -2.225 -6.353 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -7.919 -3.174 -7.316 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -7.107 -2.645 -5.136 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -7.703 -4.517 -7.074 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -6.890 -3.986 -4.890 1.00 0.00 C ATOM 1187 CZ PHE A 95 -7.188 -4.923 -5.859 1.00 0.00 C ATOM 0 H PHE A 95 -8.268 0.728 -8.524 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.174 0.565 -6.650 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.042 -0.254 -5.683 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.771 -0.664 -7.223 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.323 -2.861 -8.268 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.872 -1.916 -4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.937 -5.248 -7.834 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.487 -4.302 -3.939 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.019 -5.972 -5.667 1.00 0.00 H new ATOM 1197 N LYS A 96 -6.053 -1.640 -9.085 1.00 0.00 N ATOM 1198 CA LYS A 96 -5.194 -2.631 -9.729 1.00 0.00 C ATOM 1199 C LYS A 96 -3.760 -2.124 -9.843 1.00 0.00 C ATOM 1200 O LYS A 96 -2.807 -2.872 -9.626 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.733 -2.978 -11.117 1.00 0.00 C ATOM 1202 CG LYS A 96 -6.861 -3.995 -11.095 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.586 -4.048 -12.428 1.00 0.00 C ATOM 1204 CE LYS A 96 -6.818 -4.872 -13.449 1.00 0.00 C ATOM 1205 NZ LYS A 96 -7.349 -6.259 -13.556 1.00 0.00 N ATOM 0 H LYS A 96 -6.908 -1.427 -9.599 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.194 -3.528 -9.109 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.086 -2.066 -11.599 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.918 -3.366 -11.728 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.460 -4.980 -10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.567 -3.740 -10.305 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.579 -4.476 -12.286 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.726 -3.036 -12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.873 -4.386 -14.423 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.765 -4.907 -13.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.799 -6.788 -14.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.273 -6.732 -12.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.347 -6.227 -13.848 1.00 0.00 H new ATOM 1219 N ASN A 97 -3.618 -0.849 -10.182 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.301 -0.238 -10.323 1.00 0.00 C ATOM 1221 C ASN A 97 -1.657 -0.024 -8.958 1.00 0.00 C ATOM 1222 O ASN A 97 -0.442 -0.152 -8.806 1.00 0.00 O ATOM 1223 CB ASN A 97 -2.413 1.099 -11.059 1.00 0.00 C ATOM 1224 CG ASN A 97 -1.336 1.271 -12.113 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -0.143 1.212 -11.813 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -1.753 1.486 -13.355 1.00 0.00 N ATOM 0 H ASN A 97 -4.398 -0.217 -10.365 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.673 -0.914 -10.903 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.393 1.170 -11.530 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.346 1.914 -10.338 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.075 1.610 -14.106 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.752 1.527 -13.558 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.481 0.302 -7.970 1.00 0.00 N ATOM 1234 CA LEU A 98 -1.995 0.535 -6.616 1.00 0.00 C ATOM 1235 C LEU A 98 -1.533 -0.767 -5.978 1.00 0.00 C ATOM 1236 O LEU A 98 -0.371 -0.903 -5.597 1.00 0.00 O ATOM 1237 CB LEU A 98 -3.089 1.180 -5.766 1.00 0.00 C ATOM 1238 CG LEU A 98 -3.786 2.372 -6.421 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.130 2.639 -5.763 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -2.904 3.606 -6.356 1.00 0.00 C ATOM 0 H LEU A 98 -3.489 0.411 -8.081 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.143 1.213 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.838 0.425 -5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.652 1.505 -4.822 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.963 2.130 -7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.608 3.492 -6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.766 1.760 -5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.980 2.857 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.416 4.445 -6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.693 3.848 -5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.968 3.412 -6.880 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.443 -1.730 -5.871 1.00 0.00 N ATOM 1253 CA LYS A 99 -2.107 -3.023 -5.287 1.00 0.00 C ATOM 1254 C LYS A 99 -0.936 -3.645 -6.032 1.00 0.00 C ATOM 1255 O LYS A 99 -0.103 -4.331 -5.442 1.00 0.00 O ATOM 1256 CB LYS A 99 -3.312 -3.967 -5.324 1.00 0.00 C ATOM 1257 CG LYS A 99 -3.942 -4.102 -6.702 1.00 0.00 C ATOM 1258 CD LYS A 99 -4.011 -5.555 -7.146 1.00 0.00 C ATOM 1259 CE LYS A 99 -3.759 -5.695 -8.639 1.00 0.00 C ATOM 1260 NZ LYS A 99 -3.371 -7.084 -9.009 1.00 0.00 N ATOM 0 H LYS A 99 -3.411 -1.641 -6.179 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.825 -2.865 -4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.001 -4.953 -4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.066 -3.607 -4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.946 -3.677 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.364 -3.527 -7.425 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.274 -6.140 -6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.991 -5.965 -6.901 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.657 -5.411 -9.187 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.970 -5.005 -8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.208 -7.137 -10.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.499 -7.347 -8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.134 -7.740 -8.745 1.00 0.00 H new ATOM 1274 N THR A 100 -0.874 -3.382 -7.332 1.00 0.00 N ATOM 1275 CA THR A 100 0.201 -3.896 -8.165 1.00 0.00 C ATOM 1276 C THR A 100 1.515 -3.215 -7.801 1.00 0.00 C ATOM 1277 O THR A 100 2.499 -3.879 -7.474 1.00 0.00 O ATOM 1278 CB THR A 100 -0.131 -3.671 -9.644 1.00 0.00 C ATOM 1279 OG1 THR A 100 -1.057 -4.640 -10.101 1.00 0.00 O ATOM 1280 CG2 THR A 100 1.076 -3.727 -10.555 1.00 0.00 C ATOM 0 H THR A 100 -1.559 -2.814 -7.831 1.00 0.00 H new ATOM 0 HA THR A 100 0.307 -4.967 -7.992 1.00 0.00 H new ATOM 0 HB THR A 100 -0.549 -2.665 -9.691 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.881 -4.195 -10.390 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.762 -3.559 -11.585 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.789 -2.956 -10.262 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.547 -4.706 -10.474 1.00 0.00 H new ATOM 1288 N LYS A 101 1.521 -1.887 -7.849 1.00 0.00 N ATOM 1289 CA LYS A 101 2.714 -1.125 -7.512 1.00 0.00 C ATOM 1290 C LYS A 101 3.108 -1.391 -6.064 1.00 0.00 C ATOM 1291 O LYS A 101 4.289 -1.458 -5.731 1.00 0.00 O ATOM 1292 CB LYS A 101 2.480 0.375 -7.743 1.00 0.00 C ATOM 1293 CG LYS A 101 1.746 1.078 -6.609 1.00 0.00 C ATOM 1294 CD LYS A 101 1.754 2.587 -6.794 1.00 0.00 C ATOM 1295 CE LYS A 101 2.952 3.225 -6.108 1.00 0.00 C ATOM 1296 NZ LYS A 101 4.203 3.048 -6.896 1.00 0.00 N ATOM 0 H LYS A 101 0.717 -1.320 -8.117 1.00 0.00 H new ATOM 0 HA LYS A 101 3.530 -1.443 -8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.444 0.862 -7.893 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.911 0.504 -8.664 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.717 0.721 -6.563 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.214 0.824 -5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.773 2.824 -7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.834 3.009 -6.390 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.763 4.288 -5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.081 2.785 -5.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.867 3.816 -6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.637 2.134 -6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.980 3.071 -7.912 1.00 0.00 H new ATOM 1310 N TYR A 102 2.099 -1.553 -5.213 1.00 0.00 N ATOM 1311 CA TYR A 102 2.321 -1.822 -3.799 1.00 0.00 C ATOM 1312 C TYR A 102 3.100 -3.123 -3.619 1.00 0.00 C ATOM 1313 O TYR A 102 3.967 -3.224 -2.752 1.00 0.00 O ATOM 1314 CB TYR A 102 0.974 -1.882 -3.065 1.00 0.00 C ATOM 1315 CG TYR A 102 0.982 -2.700 -1.790 1.00 0.00 C ATOM 1316 CD1 TYR A 102 1.785 -2.346 -0.712 1.00 0.00 C ATOM 1317 CD2 TYR A 102 0.178 -3.826 -1.667 1.00 0.00 C ATOM 1318 CE1 TYR A 102 1.786 -3.094 0.452 1.00 0.00 C ATOM 1319 CE2 TYR A 102 0.174 -4.576 -0.508 1.00 0.00 C ATOM 1320 CZ TYR A 102 0.978 -4.206 0.547 1.00 0.00 C ATOM 1321 OH TYR A 102 0.977 -4.954 1.700 1.00 0.00 O ATOM 0 H TYR A 102 1.116 -1.502 -5.481 1.00 0.00 H new ATOM 0 HA TYR A 102 2.915 -1.015 -3.371 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.661 -0.866 -2.826 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.226 -2.296 -3.741 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.418 -1.474 -0.784 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.454 -4.120 -2.492 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.416 -2.808 1.281 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.457 -5.449 -0.429 1.00 0.00 H new ATOM 0 HH TYR A 102 0.567 -5.826 1.524 1.00 0.00 H new ATOM 1331 N GLN A 103 2.789 -4.113 -4.450 1.00 0.00 N ATOM 1332 CA GLN A 103 3.467 -5.402 -4.385 1.00 0.00 C ATOM 1333 C GLN A 103 4.956 -5.240 -4.667 1.00 0.00 C ATOM 1334 O GLN A 103 5.792 -5.891 -4.043 1.00 0.00 O ATOM 1335 CB GLN A 103 2.853 -6.380 -5.390 1.00 0.00 C ATOM 1336 CG GLN A 103 1.424 -6.780 -5.061 1.00 0.00 C ATOM 1337 CD GLN A 103 1.208 -8.279 -5.129 1.00 0.00 C ATOM 1338 OE1 GLN A 103 1.150 -8.957 -4.103 1.00 0.00 O ATOM 1339 NE2 GLN A 103 1.088 -8.804 -6.343 1.00 0.00 N ATOM 0 H GLN A 103 2.074 -4.047 -5.174 1.00 0.00 H new ATOM 0 HA GLN A 103 3.341 -5.801 -3.379 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.875 -5.929 -6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.471 -7.277 -5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.172 -6.425 -4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.744 -6.287 -5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.143 -8.204 -7.166 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.941 -9.807 -6.452 1.00 0.00 H new ATOM 1348 N SER A 104 5.280 -4.363 -5.609 1.00 0.00 N ATOM 1349 CA SER A 104 6.669 -4.111 -5.969 1.00 0.00 C ATOM 1350 C SER A 104 7.416 -3.479 -4.803 1.00 0.00 C ATOM 1351 O SER A 104 8.603 -3.735 -4.596 1.00 0.00 O ATOM 1352 CB SER A 104 6.739 -3.188 -7.184 1.00 0.00 C ATOM 1353 OG SER A 104 7.789 -3.569 -8.057 1.00 0.00 O ATOM 0 H SER A 104 4.601 -3.815 -6.137 1.00 0.00 H new ATOM 0 HA SER A 104 7.138 -5.064 -6.214 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.790 -3.214 -7.719 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.891 -2.160 -6.855 1.00 0.00 H new ATOM 0 HG SER A 104 7.810 -2.963 -8.827 1.00 0.00 H new ATOM 1359 N LEU A 105 6.710 -2.647 -4.048 1.00 0.00 N ATOM 1360 CA LEU A 105 7.293 -1.966 -2.903 1.00 0.00 C ATOM 1361 C LEU A 105 7.674 -2.956 -1.817 1.00 0.00 C ATOM 1362 O LEU A 105 8.797 -2.938 -1.313 1.00 0.00 O ATOM 1363 CB LEU A 105 6.303 -0.943 -2.347 1.00 0.00 C ATOM 1364 CG LEU A 105 5.761 0.049 -3.372 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.589 0.831 -2.797 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.867 0.984 -3.827 1.00 0.00 C ATOM 0 H LEU A 105 5.727 -2.428 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 105 8.197 -1.455 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.464 -1.477 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.789 -0.386 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 105 5.399 -0.505 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.218 1.532 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.792 0.141 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.916 1.381 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.470 1.688 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.256 1.532 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.670 0.404 -4.281 1.00 0.00 H new ATOM 1378 N GLN A 106 6.735 -3.818 -1.457 1.00 0.00 N ATOM 1379 CA GLN A 106 6.987 -4.816 -0.422 1.00 0.00 C ATOM 1380 C GLN A 106 8.186 -5.681 -0.800 1.00 0.00 C ATOM 1381 O GLN A 106 9.007 -6.027 0.047 1.00 0.00 O ATOM 1382 CB GLN A 106 5.760 -5.713 -0.177 1.00 0.00 C ATOM 1383 CG GLN A 106 4.590 -5.480 -1.122 1.00 0.00 C ATOM 1384 CD GLN A 106 3.554 -6.584 -1.046 1.00 0.00 C ATOM 1385 OE1 GLN A 106 3.492 -7.455 -1.913 1.00 0.00 O ATOM 1386 NE2 GLN A 106 2.733 -6.552 -0.004 1.00 0.00 N ATOM 0 H GLN A 106 5.799 -3.849 -1.860 1.00 0.00 H new ATOM 0 HA GLN A 106 7.200 -4.277 0.501 1.00 0.00 H new ATOM 0 HB2 GLN A 106 6.070 -6.755 -0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.416 -5.560 0.846 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.119 -4.527 -0.883 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.962 -5.405 -2.144 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.820 -5.811 0.691 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.015 -7.268 0.102 1.00 0.00 H new ATOM 1395 N GLN A 107 8.270 -6.030 -2.079 1.00 0.00 N ATOM 1396 CA GLN A 107 9.359 -6.863 -2.583 1.00 0.00 C ATOM 1397 C GLN A 107 10.701 -6.135 -2.531 1.00 0.00 C ATOM 1398 O GLN A 107 11.683 -6.668 -2.014 1.00 0.00 O ATOM 1399 CB GLN A 107 9.071 -7.301 -4.020 1.00 0.00 C ATOM 1400 CG GLN A 107 7.665 -7.842 -4.225 1.00 0.00 C ATOM 1401 CD GLN A 107 7.650 -9.322 -4.553 1.00 0.00 C ATOM 1402 OE1 GLN A 107 7.968 -9.725 -5.672 1.00 0.00 O ATOM 1403 NE2 GLN A 107 7.278 -10.141 -3.576 1.00 0.00 N ATOM 0 H GLN A 107 7.595 -5.748 -2.789 1.00 0.00 H new ATOM 0 HA GLN A 107 9.423 -7.739 -1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.225 -6.452 -4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.791 -8.067 -4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.078 -7.668 -3.323 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.182 -7.290 -5.031 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.023 -9.763 -2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.248 -11.148 -3.738 1.00 0.00 H new ATOM 1412 N SER A 108 10.744 -4.922 -3.076 1.00 0.00 N ATOM 1413 CA SER A 108 11.977 -4.140 -3.094 1.00 0.00 C ATOM 1414 C SER A 108 12.481 -3.882 -1.679 1.00 0.00 C ATOM 1415 O SER A 108 13.686 -3.870 -1.426 1.00 0.00 O ATOM 1416 CB SER A 108 11.751 -2.811 -3.818 1.00 0.00 C ATOM 1417 OG SER A 108 12.890 -2.443 -4.577 1.00 0.00 O ATOM 0 H SER A 108 9.944 -4.461 -3.509 1.00 0.00 H new ATOM 0 HA SER A 108 12.733 -4.714 -3.629 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.884 -2.893 -4.474 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.527 -2.031 -3.091 1.00 0.00 H new ATOM 0 HG SER A 108 12.719 -1.591 -5.031 1.00 0.00 H new ATOM 1423 N TYR A 109 11.546 -3.669 -0.765 1.00 0.00 N ATOM 1424 CA TYR A 109 11.876 -3.400 0.627 1.00 0.00 C ATOM 1425 C TYR A 109 12.133 -4.693 1.392 1.00 0.00 C ATOM 1426 O TYR A 109 13.078 -4.782 2.177 1.00 0.00 O ATOM 1427 CB TYR A 109 10.738 -2.590 1.259 1.00 0.00 C ATOM 1428 CG TYR A 109 10.230 -3.091 2.596 1.00 0.00 C ATOM 1429 CD1 TYR A 109 11.088 -3.304 3.667 1.00 0.00 C ATOM 1430 CD2 TYR A 109 8.877 -3.334 2.784 1.00 0.00 C ATOM 1431 CE1 TYR A 109 10.613 -3.746 4.884 1.00 0.00 C ATOM 1432 CE2 TYR A 109 8.393 -3.776 3.996 1.00 0.00 C ATOM 1433 CZ TYR A 109 9.265 -3.981 5.045 1.00 0.00 C ATOM 1434 OH TYR A 109 8.785 -4.422 6.257 1.00 0.00 O ATOM 0 H TYR A 109 10.546 -3.677 -0.964 1.00 0.00 H new ATOM 0 HA TYR A 109 12.797 -2.819 0.675 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.076 -1.561 1.383 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.902 -2.568 0.560 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.145 -3.120 3.545 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.191 -3.174 1.966 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.294 -3.907 5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.337 -3.961 4.124 1.00 0.00 H new ATOM 0 HH TYR A 109 8.211 -5.204 6.117 1.00 0.00 H new ATOM 1444 N ASN A 110 11.289 -5.693 1.166 1.00 0.00 N ATOM 1445 CA ASN A 110 11.436 -6.974 1.847 1.00 0.00 C ATOM 1446 C ASN A 110 12.856 -7.502 1.692 1.00 0.00 C ATOM 1447 O ASN A 110 13.459 -7.987 2.649 1.00 0.00 O ATOM 1448 CB ASN A 110 10.436 -7.996 1.302 1.00 0.00 C ATOM 1449 CG ASN A 110 9.092 -7.921 2.001 1.00 0.00 C ATOM 1450 OD1 ASN A 110 9.014 -7.613 3.190 1.00 0.00 O ATOM 1451 ND2 ASN A 110 8.025 -8.202 1.263 1.00 0.00 N ATOM 0 H ASN A 110 10.501 -5.643 0.521 1.00 0.00 H new ATOM 0 HA ASN A 110 11.232 -6.818 2.906 1.00 0.00 H new ATOM 0 HB2 ASN A 110 10.296 -7.830 0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.847 -8.999 1.417 1.00 0.00 H new ATOM 0 HD21 ASN A 110 7.094 -8.167 1.678 1.00 0.00 H new ATOM 0 HD22 ASN A 110 8.136 -8.453 0.281 1.00 0.00 H new ATOM 1458 N GLN A 111 13.396 -7.390 0.486 1.00 0.00 N ATOM 1459 CA GLN A 111 14.755 -7.843 0.233 1.00 0.00 C ATOM 1460 C GLN A 111 15.736 -6.980 1.009 1.00 0.00 C ATOM 1461 O GLN A 111 16.507 -7.476 1.829 1.00 0.00 O ATOM 1462 CB GLN A 111 15.092 -7.797 -1.260 1.00 0.00 C ATOM 1463 CG GLN A 111 14.800 -6.468 -1.935 1.00 0.00 C ATOM 1464 CD GLN A 111 14.695 -6.595 -3.441 1.00 0.00 C ATOM 1465 OE1 GLN A 111 13.601 -6.715 -3.992 1.00 0.00 O ATOM 1466 NE2 GLN A 111 15.839 -6.573 -4.116 1.00 0.00 N ATOM 0 H GLN A 111 12.919 -6.994 -0.324 1.00 0.00 H new ATOM 0 HA GLN A 111 14.833 -8.879 0.564 1.00 0.00 H new ATOM 0 HB2 GLN A 111 16.149 -8.029 -1.387 1.00 0.00 H new ATOM 0 HB3 GLN A 111 14.530 -8.579 -1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 111 13.868 -6.061 -1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.588 -5.757 -1.687 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.723 -6.472 -3.618 1.00 0.00 H new ATOM 0 HE22 GLN A 111 15.833 -6.657 -5.132 1.00 0.00 H new ATOM 1475 N ARG A 112 15.682 -5.680 0.748 1.00 0.00 N ATOM 1476 CA ARG A 112 16.547 -4.714 1.415 1.00 0.00 C ATOM 1477 C ARG A 112 16.528 -4.916 2.927 1.00 0.00 C ATOM 1478 O ARG A 112 17.557 -4.799 3.592 1.00 0.00 O ATOM 1479 CB ARG A 112 16.104 -3.289 1.078 1.00 0.00 C ATOM 1480 CG ARG A 112 16.930 -2.637 -0.017 1.00 0.00 C ATOM 1481 CD ARG A 112 17.063 -1.140 0.206 1.00 0.00 C ATOM 1482 NE ARG A 112 17.009 -0.391 -1.047 1.00 0.00 N ATOM 1483 CZ ARG A 112 15.889 -0.177 -1.735 1.00 0.00 C ATOM 1484 NH1 ARG A 112 14.731 -0.653 -1.296 1.00 0.00 N ATOM 1485 NH2 ARG A 112 15.928 0.515 -2.866 1.00 0.00 N ATOM 0 H ARG A 112 15.041 -5.267 0.071 1.00 0.00 H new ATOM 0 HA ARG A 112 17.565 -4.869 1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 112 15.058 -3.306 0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 112 16.162 -2.677 1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 112 17.920 -3.091 -0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.465 -2.822 -0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 112 16.265 -0.800 0.866 1.00 0.00 H new ATOM 0 HD3 ARG A 112 18.006 -0.932 0.712 1.00 0.00 H new ATOM 0 HE ARG A 112 17.880 -0.010 -1.417 1.00 0.00 H new ATOM 0 HH11 ARG A 112 14.695 -1.186 -0.427 1.00 0.00 H new ATOM 0 HH12 ARG A 112 13.877 -0.486 -1.827 1.00 0.00 H new ATOM 0 HH21 ARG A 112 16.816 0.883 -3.208 1.00 0.00 H new ATOM 0 HH22 ARG A 112 15.070 0.679 -3.393 1.00 0.00 H new ATOM 1499 N LYS A 113 15.349 -5.219 3.463 1.00 0.00 N ATOM 1500 CA LYS A 113 15.203 -5.434 4.897 1.00 0.00 C ATOM 1501 C LYS A 113 15.992 -6.665 5.339 1.00 0.00 C ATOM 1502 O LYS A 113 16.458 -6.743 6.476 1.00 0.00 O ATOM 1503 CB LYS A 113 13.717 -5.554 5.279 1.00 0.00 C ATOM 1504 CG LYS A 113 13.129 -6.956 5.164 1.00 0.00 C ATOM 1505 CD LYS A 113 12.279 -7.302 6.376 1.00 0.00 C ATOM 1506 CE LYS A 113 10.918 -6.626 6.312 1.00 0.00 C ATOM 1507 NZ LYS A 113 9.818 -7.557 6.688 1.00 0.00 N ATOM 0 H LYS A 113 14.486 -5.320 2.929 1.00 0.00 H new ATOM 0 HA LYS A 113 15.612 -4.570 5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 113 13.593 -5.208 6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.140 -4.882 4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.523 -7.025 4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 113 13.935 -7.683 5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 113 12.148 -8.383 6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 113 12.797 -6.995 7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.909 -5.764 6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 113 10.746 -6.250 5.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.907 -7.059 6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.810 -8.367 6.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.967 -7.897 7.660 1.00 0.00 H new ATOM 1521 N SER A 114 16.147 -7.619 4.424 1.00 0.00 N ATOM 1522 CA SER A 114 16.889 -8.841 4.709 1.00 0.00 C ATOM 1523 C SER A 114 18.391 -8.601 4.574 1.00 0.00 C ATOM 1524 O SER A 114 19.199 -9.291 5.195 1.00 0.00 O ATOM 1525 CB SER A 114 16.454 -9.959 3.762 1.00 0.00 C ATOM 1526 OG SER A 114 15.319 -10.643 4.266 1.00 0.00 O ATOM 0 H SER A 114 15.768 -7.568 3.479 1.00 0.00 H new ATOM 0 HA SER A 114 16.673 -9.141 5.735 1.00 0.00 H new ATOM 0 HB2 SER A 114 16.225 -9.541 2.782 1.00 0.00 H new ATOM 0 HB3 SER A 114 17.275 -10.663 3.624 1.00 0.00 H new ATOM 0 HG SER A 114 15.060 -11.352 3.641 1.00 0.00 H new