USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 648 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 20 TYR OH : rot -61:sc= 1.83 USER MOD Set 1.2: A 21 MET CE :methyl -114:sc= -2.51 (180deg=-4.03!) USER MOD Set 1.3: A 84 LYS NZ :NH3+ 171:sc= -3.24 (180deg=-3.63!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.606 USER MOD Single : A 14 MET CE :methyl -156:sc= 0 (180deg=-0.0689) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 33 MET CE :methyl 174:sc= -0.782 (180deg=-0.986) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 8:sc= 0.543 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.494 K(o=0.49,f=-6.1!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.736 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.285 USER MOD Single : A 55 CYS SG : rot 80:sc= -0.926 USER MOD Single : A 64 THR OG1 : rot 80:sc= 0.0904 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot -160:sc= -4.29! USER MOD Single : A 70 HIS : no HD1:sc= -0.406 X(o=-0.41,f=0.049) USER MOD Single : A 71 LYS NZ :NH3+ -125:sc= -1.32! (180deg=-3.56!) USER MOD Single : A 73 ASN : amide:sc= -1.19! C(o=-1.2!,f=-1.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -152:sc= -0.429 (180deg=-1.22!) USER MOD Single : A 89 ASN : amide:sc= -0.0262 X(o=-0.026,f=0.22) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 8.334 3.578 -14.378 1.00 0.00 N ATOM 84 CA ALA A 9 7.504 4.721 -14.737 1.00 0.00 C ATOM 85 C ALA A 9 6.022 4.382 -14.618 1.00 0.00 C ATOM 86 O ALA A 9 5.282 5.040 -13.888 1.00 0.00 O ATOM 87 CB ALA A 9 7.829 5.187 -16.149 1.00 0.00 C ATOM 0 HA ALA A 9 7.722 5.530 -14.040 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.202 6.041 -16.404 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.878 5.478 -16.204 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.640 4.376 -16.852 1.00 0.00 H new ATOM 93 N ALA A 10 5.596 3.350 -15.340 1.00 0.00 N ATOM 94 CA ALA A 10 4.202 2.923 -15.314 1.00 0.00 C ATOM 95 C ALA A 10 4.031 1.660 -14.477 1.00 0.00 C ATOM 96 O ALA A 10 3.123 0.865 -14.716 1.00 0.00 O ATOM 97 CB ALA A 10 3.694 2.694 -16.729 1.00 0.00 C ATOM 0 H ALA A 10 6.196 2.795 -15.950 1.00 0.00 H new ATOM 0 HA ALA A 10 3.613 3.716 -14.853 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.652 2.376 -16.694 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.772 3.621 -17.298 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.294 1.921 -17.210 1.00 0.00 H new ATOM 103 N SER A 11 4.910 1.482 -13.496 1.00 0.00 N ATOM 104 CA SER A 11 4.859 0.312 -12.627 1.00 0.00 C ATOM 105 C SER A 11 4.469 0.708 -11.206 1.00 0.00 C ATOM 106 O SER A 11 4.487 1.887 -10.850 1.00 0.00 O ATOM 107 CB SER A 11 6.212 -0.402 -12.616 1.00 0.00 C ATOM 108 OG SER A 11 6.453 -1.056 -13.850 1.00 0.00 O ATOM 0 H SER A 11 5.666 2.133 -13.283 1.00 0.00 H new ATOM 0 HA SER A 11 4.101 -0.367 -13.018 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.006 0.319 -12.422 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.237 -1.129 -11.804 1.00 0.00 H new ATOM 0 HG SER A 11 7.324 -1.503 -13.818 1.00 0.00 H new ATOM 114 N LEU A 12 4.117 -0.285 -10.397 1.00 0.00 N ATOM 115 CA LEU A 12 3.722 -0.043 -9.014 1.00 0.00 C ATOM 116 C LEU A 12 4.540 -0.903 -8.056 1.00 0.00 C ATOM 117 O LEU A 12 5.092 -1.931 -8.447 1.00 0.00 O ATOM 118 CB LEU A 12 2.231 -0.331 -8.830 1.00 0.00 C ATOM 119 CG LEU A 12 1.275 0.525 -9.661 1.00 0.00 C ATOM 120 CD1 LEU A 12 -0.150 0.006 -9.540 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.351 1.983 -9.230 1.00 0.00 C ATOM 0 H LEU A 12 4.097 -1.266 -10.675 1.00 0.00 H new ATOM 0 HA LEU A 12 3.913 1.006 -8.786 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.051 -1.379 -9.071 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.983 -0.199 -7.777 1.00 0.00 H new ATOM 0 HG LEU A 12 1.577 0.460 -10.706 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.816 0.628 -10.138 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.194 -1.022 -9.899 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.462 0.040 -8.496 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.664 2.577 -9.833 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.077 2.066 -8.178 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.367 2.351 -9.370 1.00 0.00 H new ATOM 133 N TRP A 13 4.610 -0.476 -6.800 1.00 0.00 N ATOM 134 CA TRP A 13 5.358 -1.209 -5.785 1.00 0.00 C ATOM 135 C TRP A 13 4.419 -2.008 -4.888 1.00 0.00 C ATOM 136 O TRP A 13 3.422 -1.484 -4.394 1.00 0.00 O ATOM 137 CB TRP A 13 6.191 -0.243 -4.940 1.00 0.00 C ATOM 138 CG TRP A 13 6.633 -0.828 -3.633 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.850 -1.381 -3.352 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.862 -0.919 -2.430 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.881 -1.810 -2.047 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.674 -1.537 -1.460 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.564 -0.536 -2.078 1.00 0.00 C ATOM 144 CZ2 TRP A 13 6.229 -1.782 -0.163 1.00 0.00 C ATOM 145 CZ3 TRP A 13 4.124 -0.780 -0.791 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.955 -1.397 0.154 1.00 0.00 C ATOM 0 H TRP A 13 4.158 0.373 -6.460 1.00 0.00 H new ATOM 0 HA TRP A 13 6.025 -1.905 -6.293 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.069 0.062 -5.509 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.607 0.657 -4.748 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.667 -1.468 -4.052 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.674 -2.259 -1.590 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.917 -0.058 -2.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.867 -2.259 0.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.123 -0.490 -0.509 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.582 -1.572 1.152 1.00 0.00 H new ATOM 157 N MET A 14 4.745 -3.280 -4.682 1.00 0.00 N ATOM 158 CA MET A 14 3.931 -4.151 -3.843 1.00 0.00 C ATOM 159 C MET A 14 4.785 -4.839 -2.783 1.00 0.00 C ATOM 160 O MET A 14 5.471 -5.821 -3.066 1.00 0.00 O ATOM 161 CB MET A 14 3.218 -5.199 -4.699 1.00 0.00 C ATOM 162 CG MET A 14 2.112 -5.937 -3.962 1.00 0.00 C ATOM 163 SD MET A 14 1.312 -7.189 -4.983 1.00 0.00 S ATOM 164 CE MET A 14 -0.324 -7.225 -4.254 1.00 0.00 C ATOM 0 H MET A 14 5.567 -3.730 -5.085 1.00 0.00 H new ATOM 0 HA MET A 14 3.186 -3.535 -3.340 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.795 -4.712 -5.578 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.950 -5.923 -5.057 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.527 -6.410 -3.072 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.365 -5.219 -3.623 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.791 -8.189 -4.454 1.00 0.00 H new ATOM 0 HE2 MET A 14 -0.246 -7.077 -3.177 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.933 -6.431 -4.686 1.00 0.00 H new ATOM 174 N GLY A 15 4.740 -4.317 -1.561 1.00 0.00 N ATOM 175 CA GLY A 15 5.515 -4.894 -0.478 1.00 0.00 C ATOM 176 C GLY A 15 4.676 -5.766 0.434 1.00 0.00 C ATOM 177 O GLY A 15 3.604 -6.232 0.046 1.00 0.00 O ATOM 0 H GLY A 15 4.180 -3.505 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.330 -5.487 -0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.969 -4.094 0.106 1.00 0.00 H new ATOM 181 N ASP A 16 5.164 -5.989 1.650 1.00 0.00 N ATOM 182 CA ASP A 16 4.452 -6.812 2.620 1.00 0.00 C ATOM 183 C ASP A 16 3.960 -8.106 1.979 1.00 0.00 C ATOM 184 O ASP A 16 2.874 -8.594 2.294 1.00 0.00 O ATOM 185 CB ASP A 16 3.270 -6.039 3.208 1.00 0.00 C ATOM 186 CG ASP A 16 3.677 -5.155 4.371 1.00 0.00 C ATOM 187 OD1 ASP A 16 4.667 -4.407 4.229 1.00 0.00 O ATOM 188 OD2 ASP A 16 3.005 -5.211 5.422 1.00 0.00 O ATOM 0 H ASP A 16 6.050 -5.611 1.987 1.00 0.00 H new ATOM 0 HA ASP A 16 5.146 -7.065 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.818 -5.425 2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.508 -6.744 3.540 1.00 0.00 H new ATOM 193 N LEU A 17 4.765 -8.656 1.077 1.00 0.00 N ATOM 194 CA LEU A 17 4.412 -9.894 0.390 1.00 0.00 C ATOM 195 C LEU A 17 4.822 -11.110 1.214 1.00 0.00 C ATOM 196 O LEU A 17 5.453 -10.977 2.262 1.00 0.00 O ATOM 197 CB LEU A 17 5.082 -9.946 -0.984 1.00 0.00 C ATOM 198 CG LEU A 17 4.753 -8.794 -1.935 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.445 -8.994 -3.275 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.248 -8.672 -2.124 1.00 0.00 C ATOM 0 H LEU A 17 5.667 -8.265 0.804 1.00 0.00 H new ATOM 0 HA LEU A 17 3.330 -9.913 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.162 -9.974 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.801 -10.882 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 17 5.120 -7.868 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.199 -8.165 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.524 -9.032 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.108 -9.929 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.032 -7.847 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.858 -9.599 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.775 -8.482 -1.161 1.00 0.00 H new ATOM 212 N GLU A 18 4.459 -12.295 0.731 1.00 0.00 N ATOM 213 CA GLU A 18 4.790 -13.535 1.424 1.00 0.00 C ATOM 214 C GLU A 18 5.881 -14.299 0.679 1.00 0.00 C ATOM 215 O GLU A 18 6.107 -14.102 -0.516 1.00 0.00 O ATOM 216 CB GLU A 18 3.545 -14.412 1.569 1.00 0.00 C ATOM 217 CG GLU A 18 2.691 -14.062 2.775 1.00 0.00 C ATOM 218 CD GLU A 18 3.277 -14.579 4.075 1.00 0.00 C ATOM 219 OE1 GLU A 18 4.188 -13.921 4.619 1.00 0.00 O ATOM 220 OE2 GLU A 18 2.824 -15.643 4.547 1.00 0.00 O ATOM 0 H GLU A 18 3.937 -12.422 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 18 5.162 -13.279 2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.940 -14.321 0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.852 -15.455 1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.581 -12.979 2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.692 -14.477 2.641 1.00 0.00 H new ATOM 227 N PRO A 19 6.575 -15.192 1.400 1.00 0.00 N ATOM 228 CA PRO A 19 7.653 -16.005 0.829 1.00 0.00 C ATOM 229 C PRO A 19 7.134 -17.052 -0.151 1.00 0.00 C ATOM 230 O PRO A 19 7.856 -17.492 -1.045 1.00 0.00 O ATOM 231 CB PRO A 19 8.275 -16.680 2.053 1.00 0.00 C ATOM 232 CG PRO A 19 7.180 -16.716 3.063 1.00 0.00 C ATOM 233 CD PRO A 19 6.359 -15.479 2.828 1.00 0.00 C ATOM 0 HA PRO A 19 8.356 -15.403 0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.627 -17.684 1.815 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.134 -16.119 2.421 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.573 -17.614 2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.583 -16.730 4.076 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.305 -15.648 3.049 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.688 -14.653 3.458 1.00 0.00 H new ATOM 241 N TYR A 20 5.877 -17.446 0.024 1.00 0.00 N ATOM 242 CA TYR A 20 5.262 -18.444 -0.844 1.00 0.00 C ATOM 243 C TYR A 20 4.706 -17.797 -2.109 1.00 0.00 C ATOM 244 O TYR A 20 4.509 -18.463 -3.125 1.00 0.00 O ATOM 245 CB TYR A 20 4.145 -19.178 -0.100 1.00 0.00 C ATOM 246 CG TYR A 20 2.805 -18.482 -0.179 1.00 0.00 C ATOM 247 CD1 TYR A 20 1.944 -18.709 -1.245 1.00 0.00 C ATOM 248 CD2 TYR A 20 2.401 -17.597 0.813 1.00 0.00 C ATOM 249 CE1 TYR A 20 0.719 -18.074 -1.321 1.00 0.00 C ATOM 250 CE2 TYR A 20 1.177 -16.959 0.746 1.00 0.00 C ATOM 251 CZ TYR A 20 0.340 -17.200 -0.324 1.00 0.00 C ATOM 252 OH TYR A 20 -0.879 -16.567 -0.395 1.00 0.00 O ATOM 0 H TYR A 20 5.265 -17.090 0.758 1.00 0.00 H new ATOM 0 HA TYR A 20 6.030 -19.161 -1.132 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.047 -20.184 -0.509 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.428 -19.286 0.947 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.237 -19.393 -2.028 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.055 -17.404 1.651 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.062 -18.261 -2.157 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.877 -16.276 1.527 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.912 -16.010 -1.201 1.00 0.00 H new ATOM 262 N MET A 21 4.456 -16.494 -2.038 1.00 0.00 N ATOM 263 CA MET A 21 3.924 -15.755 -3.177 1.00 0.00 C ATOM 264 C MET A 21 4.974 -15.620 -4.275 1.00 0.00 C ATOM 265 O MET A 21 6.130 -15.293 -4.005 1.00 0.00 O ATOM 266 CB MET A 21 3.448 -14.369 -2.737 1.00 0.00 C ATOM 267 CG MET A 21 2.074 -14.376 -2.087 1.00 0.00 C ATOM 268 SD MET A 21 1.359 -12.727 -1.956 1.00 0.00 S ATOM 269 CE MET A 21 0.218 -12.959 -0.596 1.00 0.00 C ATOM 0 H MET A 21 4.613 -15.928 -1.204 1.00 0.00 H new ATOM 0 HA MET A 21 3.076 -16.312 -3.575 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.170 -13.952 -2.036 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.427 -13.709 -3.604 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.405 -15.013 -2.667 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.149 -14.815 -1.092 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.805 -12.850 -0.957 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.351 -13.956 -0.176 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.413 -12.212 0.174 1.00 0.00 H new ATOM 279 N ASP A 22 4.565 -15.874 -5.513 1.00 0.00 N ATOM 280 CA ASP A 22 5.471 -15.779 -6.652 1.00 0.00 C ATOM 281 C ASP A 22 4.830 -14.995 -7.793 1.00 0.00 C ATOM 282 O ASP A 22 3.623 -14.758 -7.794 1.00 0.00 O ATOM 283 CB ASP A 22 5.864 -17.176 -7.136 1.00 0.00 C ATOM 284 CG ASP A 22 6.568 -17.983 -6.063 1.00 0.00 C ATOM 285 OD1 ASP A 22 7.752 -17.697 -5.786 1.00 0.00 O ATOM 286 OD2 ASP A 22 5.935 -18.900 -5.499 1.00 0.00 O ATOM 0 H ASP A 22 3.612 -16.147 -5.754 1.00 0.00 H new ATOM 0 HA ASP A 22 6.367 -15.249 -6.328 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.971 -17.710 -7.461 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.515 -17.086 -8.005 1.00 0.00 H new ATOM 291 N GLU A 23 5.648 -14.594 -8.762 1.00 0.00 N ATOM 292 CA GLU A 23 5.160 -13.834 -9.907 1.00 0.00 C ATOM 293 C GLU A 23 3.761 -14.294 -10.308 1.00 0.00 C ATOM 294 O GLU A 23 2.910 -13.483 -10.672 1.00 0.00 O ATOM 295 CB GLU A 23 6.117 -13.983 -11.091 1.00 0.00 C ATOM 296 CG GLU A 23 7.417 -13.214 -10.923 1.00 0.00 C ATOM 297 CD GLU A 23 8.428 -13.534 -12.006 1.00 0.00 C ATOM 298 OE1 GLU A 23 8.816 -14.715 -12.127 1.00 0.00 O ATOM 299 OE2 GLU A 23 8.832 -12.603 -12.734 1.00 0.00 O ATOM 0 H GLU A 23 6.650 -14.783 -8.777 1.00 0.00 H new ATOM 0 HA GLU A 23 5.110 -12.784 -9.620 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.345 -15.039 -11.232 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.617 -13.641 -11.997 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.206 -12.145 -10.933 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.848 -13.445 -9.949 1.00 0.00 H new ATOM 306 N ASN A 24 3.532 -15.601 -10.240 1.00 0.00 N ATOM 307 CA ASN A 24 2.238 -16.170 -10.598 1.00 0.00 C ATOM 308 C ASN A 24 1.152 -15.700 -9.635 1.00 0.00 C ATOM 309 O ASN A 24 0.108 -15.201 -10.055 1.00 0.00 O ATOM 310 CB ASN A 24 2.310 -17.699 -10.596 1.00 0.00 C ATOM 311 CG ASN A 24 2.843 -18.254 -11.902 1.00 0.00 C ATOM 312 OD1 ASN A 24 3.613 -17.596 -12.601 1.00 0.00 O ATOM 313 ND2 ASN A 24 2.434 -19.472 -12.238 1.00 0.00 N ATOM 0 H ASN A 24 4.226 -16.286 -9.940 1.00 0.00 H new ATOM 0 HA ASN A 24 1.984 -15.827 -11.601 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.949 -18.029 -9.777 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.316 -18.107 -10.410 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.759 -19.898 -13.106 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.795 -19.982 -11.628 1.00 0.00 H new ATOM 320 N PHE A 25 1.406 -15.863 -8.341 1.00 0.00 N ATOM 321 CA PHE A 25 0.451 -15.456 -7.317 1.00 0.00 C ATOM 322 C PHE A 25 0.076 -13.985 -7.476 1.00 0.00 C ATOM 323 O PHE A 25 -1.102 -13.642 -7.579 1.00 0.00 O ATOM 324 CB PHE A 25 1.032 -15.698 -5.922 1.00 0.00 C ATOM 325 CG PHE A 25 0.070 -15.390 -4.810 1.00 0.00 C ATOM 326 CD1 PHE A 25 -0.146 -14.082 -4.406 1.00 0.00 C ATOM 327 CD2 PHE A 25 -0.618 -16.407 -4.170 1.00 0.00 C ATOM 328 CE1 PHE A 25 -1.030 -13.795 -3.383 1.00 0.00 C ATOM 329 CE2 PHE A 25 -1.504 -16.126 -3.147 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.710 -14.818 -2.752 1.00 0.00 C ATOM 0 H PHE A 25 2.265 -16.274 -7.976 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.450 -16.057 -7.437 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.345 -16.739 -5.843 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.926 -15.086 -5.798 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.382 -13.278 -4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.461 -17.431 -4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.189 -12.771 -3.077 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.035 -16.928 -2.657 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.401 -14.596 -1.952 1.00 0.00 H new ATOM 340 N ILE A 26 1.087 -13.123 -7.495 1.00 0.00 N ATOM 341 CA ILE A 26 0.864 -11.690 -7.643 1.00 0.00 C ATOM 342 C ILE A 26 -0.025 -11.392 -8.845 1.00 0.00 C ATOM 343 O ILE A 26 -1.024 -10.683 -8.731 1.00 0.00 O ATOM 344 CB ILE A 26 2.193 -10.927 -7.800 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.107 -11.200 -6.603 1.00 0.00 C ATOM 346 CG2 ILE A 26 1.933 -9.435 -7.945 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.621 -10.571 -5.316 1.00 0.00 C ATOM 0 H ILE A 26 2.067 -13.391 -7.410 1.00 0.00 H new ATOM 0 HA ILE A 26 0.366 -11.353 -6.734 1.00 0.00 H new ATOM 0 HB ILE A 26 2.693 -11.278 -8.703 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.194 -12.277 -6.461 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.106 -10.826 -6.826 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.882 -8.909 -8.055 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.315 -9.257 -8.825 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.416 -9.068 -7.059 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.317 -10.806 -4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.560 -9.490 -5.440 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.635 -10.964 -5.069 1.00 0.00 H new ATOM 359 N SER A 27 0.345 -11.941 -9.998 1.00 0.00 N ATOM 360 CA SER A 27 -0.417 -11.733 -11.223 1.00 0.00 C ATOM 361 C SER A 27 -1.881 -12.116 -11.024 1.00 0.00 C ATOM 362 O SER A 27 -2.785 -11.407 -11.465 1.00 0.00 O ATOM 363 CB SER A 27 0.184 -12.550 -12.369 1.00 0.00 C ATOM 364 OG SER A 27 -0.665 -12.540 -13.503 1.00 0.00 O ATOM 0 H SER A 27 1.168 -12.533 -10.109 1.00 0.00 H new ATOM 0 HA SER A 27 -0.367 -10.674 -11.476 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.159 -12.143 -12.637 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.346 -13.577 -12.041 1.00 0.00 H new ATOM 0 HG SER A 27 -0.258 -13.068 -14.221 1.00 0.00 H new ATOM 370 N ARG A 28 -2.105 -13.244 -10.357 1.00 0.00 N ATOM 371 CA ARG A 28 -3.457 -13.723 -10.100 1.00 0.00 C ATOM 372 C ARG A 28 -4.233 -12.728 -9.243 1.00 0.00 C ATOM 373 O ARG A 28 -5.430 -12.521 -9.445 1.00 0.00 O ATOM 374 CB ARG A 28 -3.415 -15.086 -9.405 1.00 0.00 C ATOM 375 CG ARG A 28 -3.346 -16.259 -10.369 1.00 0.00 C ATOM 376 CD ARG A 28 -2.872 -17.525 -9.673 1.00 0.00 C ATOM 377 NE ARG A 28 -3.875 -18.049 -8.750 1.00 0.00 N ATOM 378 CZ ARG A 28 -4.990 -18.656 -9.142 1.00 0.00 C ATOM 379 NH1 ARG A 28 -5.243 -18.813 -10.434 1.00 0.00 N ATOM 380 NH2 ARG A 28 -5.854 -19.106 -8.242 1.00 0.00 N ATOM 0 H ARG A 28 -1.367 -13.843 -9.985 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.967 -13.826 -11.058 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.550 -15.120 -8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.301 -15.193 -8.779 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.329 -16.430 -10.807 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.669 -16.018 -11.189 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.635 -18.283 -10.420 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.951 -17.316 -9.128 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.710 -17.943 -7.749 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.581 -18.468 -11.129 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.100 -19.279 -10.733 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.663 -18.986 -7.247 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.710 -19.572 -8.545 1.00 0.00 H new ATOM 394 N ALA A 29 -3.544 -12.114 -8.287 1.00 0.00 N ATOM 395 CA ALA A 29 -4.168 -11.140 -7.401 1.00 0.00 C ATOM 396 C ALA A 29 -4.828 -10.018 -8.196 1.00 0.00 C ATOM 397 O ALA A 29 -6.022 -9.757 -8.045 1.00 0.00 O ATOM 398 CB ALA A 29 -3.139 -10.570 -6.435 1.00 0.00 C ATOM 0 H ALA A 29 -2.553 -12.274 -8.106 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.944 -11.650 -6.830 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.619 -9.844 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.716 -11.377 -5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.344 -10.081 -6.997 1.00 0.00 H new ATOM 404 N PHE A 30 -4.044 -9.358 -9.042 1.00 0.00 N ATOM 405 CA PHE A 30 -4.553 -8.263 -9.859 1.00 0.00 C ATOM 406 C PHE A 30 -5.694 -8.738 -10.755 1.00 0.00 C ATOM 407 O PHE A 30 -6.766 -8.135 -10.784 1.00 0.00 O ATOM 408 CB PHE A 30 -3.430 -7.673 -10.715 1.00 0.00 C ATOM 409 CG PHE A 30 -2.554 -6.707 -9.970 1.00 0.00 C ATOM 410 CD1 PHE A 30 -1.426 -7.151 -9.298 1.00 0.00 C ATOM 411 CD2 PHE A 30 -2.857 -5.356 -9.941 1.00 0.00 C ATOM 412 CE1 PHE A 30 -0.617 -6.265 -8.611 1.00 0.00 C ATOM 413 CE2 PHE A 30 -2.052 -4.465 -9.257 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.931 -4.921 -8.590 1.00 0.00 C ATOM 0 H PHE A 30 -3.054 -9.562 -9.180 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.936 -7.491 -9.191 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.815 -8.485 -11.103 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.867 -7.166 -11.575 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.176 -8.202 -9.311 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.733 -4.994 -10.459 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.259 -6.624 -8.092 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.299 -3.414 -9.244 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.301 -4.227 -8.053 1.00 0.00 H new ATOM 424 N ALA A 31 -5.454 -9.823 -11.484 1.00 0.00 N ATOM 425 CA ALA A 31 -6.460 -10.380 -12.379 1.00 0.00 C ATOM 426 C ALA A 31 -7.772 -10.630 -11.642 1.00 0.00 C ATOM 427 O ALA A 31 -8.849 -10.295 -12.138 1.00 0.00 O ATOM 428 CB ALA A 31 -5.952 -11.669 -13.008 1.00 0.00 C ATOM 0 H ALA A 31 -4.571 -10.334 -11.472 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.650 -9.654 -13.169 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.714 -12.074 -13.674 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.045 -11.464 -13.577 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.733 -12.394 -12.225 1.00 0.00 H new ATOM 434 N THR A 32 -7.676 -11.221 -10.455 1.00 0.00 N ATOM 435 CA THR A 32 -8.855 -11.517 -9.651 1.00 0.00 C ATOM 436 C THR A 32 -9.628 -10.246 -9.320 1.00 0.00 C ATOM 437 O THR A 32 -10.847 -10.189 -9.485 1.00 0.00 O ATOM 438 CB THR A 32 -8.475 -12.230 -8.340 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.720 -13.412 -8.625 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.719 -12.597 -7.544 1.00 0.00 C ATOM 0 H THR A 32 -6.793 -11.504 -10.029 1.00 0.00 H new ATOM 0 HA THR A 32 -9.486 -12.178 -10.246 1.00 0.00 H new ATOM 0 HB THR A 32 -7.869 -11.548 -7.744 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.782 -13.172 -8.776 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.426 -13.100 -6.622 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.277 -11.692 -7.303 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.347 -13.263 -8.136 1.00 0.00 H new ATOM 448 N MET A 33 -8.913 -9.228 -8.854 1.00 0.00 N ATOM 449 CA MET A 33 -9.533 -7.956 -8.502 1.00 0.00 C ATOM 450 C MET A 33 -10.163 -7.301 -9.727 1.00 0.00 C ATOM 451 O MET A 33 -10.921 -6.339 -9.607 1.00 0.00 O ATOM 452 CB MET A 33 -8.500 -7.015 -7.880 1.00 0.00 C ATOM 453 CG MET A 33 -8.222 -7.301 -6.414 1.00 0.00 C ATOM 454 SD MET A 33 -9.713 -7.255 -5.402 1.00 0.00 S ATOM 455 CE MET A 33 -9.598 -5.610 -4.703 1.00 0.00 C ATOM 0 H MET A 33 -7.904 -9.259 -8.711 1.00 0.00 H new ATOM 0 HA MET A 33 -10.319 -8.153 -7.773 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.568 -7.091 -8.440 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.849 -5.987 -7.981 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.755 -8.282 -6.321 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.507 -6.571 -6.035 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.503 -5.391 -4.137 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.734 -5.556 -4.041 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.487 -4.881 -5.505 1.00 0.00 H new ATOM 465 N GLY A 34 -9.844 -7.828 -10.905 1.00 0.00 N ATOM 466 CA GLY A 34 -10.387 -7.281 -12.134 1.00 0.00 C ATOM 467 C GLY A 34 -9.426 -6.333 -12.822 1.00 0.00 C ATOM 468 O GLY A 34 -9.837 -5.311 -13.370 1.00 0.00 O ATOM 0 H GLY A 34 -9.219 -8.624 -11.030 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.635 -8.097 -12.813 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.316 -6.755 -11.914 1.00 0.00 H new ATOM 472 N GLU A 35 -8.140 -6.671 -12.792 1.00 0.00 N ATOM 473 CA GLU A 35 -7.117 -5.840 -13.415 1.00 0.00 C ATOM 474 C GLU A 35 -6.166 -6.687 -14.256 1.00 0.00 C ATOM 475 O GLU A 35 -5.749 -7.769 -13.842 1.00 0.00 O ATOM 476 CB GLU A 35 -6.330 -5.075 -12.349 1.00 0.00 C ATOM 477 CG GLU A 35 -7.018 -3.804 -11.880 1.00 0.00 C ATOM 478 CD GLU A 35 -7.054 -2.731 -12.950 1.00 0.00 C ATOM 479 OE1 GLU A 35 -6.822 -3.062 -14.131 1.00 0.00 O ATOM 480 OE2 GLU A 35 -7.315 -1.559 -12.606 1.00 0.00 O ATOM 0 H GLU A 35 -7.783 -7.514 -12.343 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.615 -5.125 -14.070 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.167 -5.728 -11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.348 -4.821 -12.747 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.037 -4.039 -11.572 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.501 -3.418 -11.001 1.00 0.00 H new ATOM 487 N THR A 36 -5.825 -6.186 -15.439 1.00 0.00 N ATOM 488 CA THR A 36 -4.925 -6.895 -16.339 1.00 0.00 C ATOM 489 C THR A 36 -3.484 -6.437 -16.149 1.00 0.00 C ATOM 490 O THR A 36 -3.076 -5.401 -16.675 1.00 0.00 O ATOM 491 CB THR A 36 -5.326 -6.690 -17.812 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.693 -7.071 -18.005 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.433 -7.505 -18.735 1.00 0.00 C ATOM 0 H THR A 36 -6.159 -5.291 -15.796 1.00 0.00 H new ATOM 0 HA THR A 36 -5.003 -7.954 -16.093 1.00 0.00 H new ATOM 0 HB THR A 36 -5.205 -5.634 -18.054 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.941 -6.936 -18.944 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.736 -7.344 -19.770 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.396 -7.193 -18.607 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.526 -8.563 -18.490 1.00 0.00 H new ATOM 501 N VAL A 37 -2.715 -7.215 -15.393 1.00 0.00 N ATOM 502 CA VAL A 37 -1.317 -6.890 -15.135 1.00 0.00 C ATOM 503 C VAL A 37 -0.450 -7.185 -16.353 1.00 0.00 C ATOM 504 O VAL A 37 -0.746 -8.090 -17.133 1.00 0.00 O ATOM 505 CB VAL A 37 -0.772 -7.676 -13.928 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.544 -9.133 -14.298 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.511 -7.040 -13.414 1.00 0.00 C ATOM 0 H VAL A 37 -3.037 -8.075 -14.949 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.276 -5.824 -14.914 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.513 -7.641 -13.129 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.159 -9.672 -13.433 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.487 -9.580 -14.614 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.177 -9.193 -15.113 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.882 -7.608 -12.561 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.261 -7.042 -14.205 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.311 -6.014 -13.107 1.00 0.00 H new ATOM 517 N MET A 38 0.622 -6.416 -16.510 1.00 0.00 N ATOM 518 CA MET A 38 1.534 -6.597 -17.633 1.00 0.00 C ATOM 519 C MET A 38 2.647 -7.578 -17.278 1.00 0.00 C ATOM 520 O MET A 38 2.856 -8.572 -17.973 1.00 0.00 O ATOM 521 CB MET A 38 2.137 -5.254 -18.050 1.00 0.00 C ATOM 522 CG MET A 38 1.144 -4.328 -18.734 1.00 0.00 C ATOM 523 SD MET A 38 0.514 -5.006 -20.281 1.00 0.00 S ATOM 524 CE MET A 38 -1.249 -4.796 -20.050 1.00 0.00 C ATOM 0 H MET A 38 0.880 -5.662 -15.874 1.00 0.00 H new ATOM 0 HA MET A 38 0.965 -7.007 -18.467 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.538 -4.755 -17.168 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.976 -5.435 -18.723 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.309 -4.135 -18.060 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.623 -3.369 -18.931 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.778 -5.170 -20.927 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.569 -5.351 -19.169 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.475 -3.738 -19.914 1.00 0.00 H new ATOM 534 N SER A 39 3.358 -7.292 -16.192 1.00 0.00 N ATOM 535 CA SER A 39 4.451 -8.148 -15.747 1.00 0.00 C ATOM 536 C SER A 39 4.693 -7.986 -14.249 1.00 0.00 C ATOM 537 O SER A 39 4.214 -7.035 -13.630 1.00 0.00 O ATOM 538 CB SER A 39 5.730 -7.819 -16.520 1.00 0.00 C ATOM 539 OG SER A 39 5.638 -8.252 -17.866 1.00 0.00 O ATOM 0 H SER A 39 3.197 -6.474 -15.604 1.00 0.00 H new ATOM 0 HA SER A 39 4.172 -9.183 -15.942 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.909 -6.744 -16.492 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.583 -8.297 -16.038 1.00 0.00 H new ATOM 0 HG SER A 39 4.725 -8.558 -18.050 1.00 0.00 H new ATOM 545 N VAL A 40 5.440 -8.922 -13.672 1.00 0.00 N ATOM 546 CA VAL A 40 5.747 -8.884 -12.247 1.00 0.00 C ATOM 547 C VAL A 40 7.142 -9.435 -11.971 1.00 0.00 C ATOM 548 O VAL A 40 7.547 -10.445 -12.545 1.00 0.00 O ATOM 549 CB VAL A 40 4.718 -9.687 -11.430 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.334 -10.964 -12.162 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.266 -10.001 -10.046 1.00 0.00 C ATOM 0 H VAL A 40 5.844 -9.716 -14.169 1.00 0.00 H new ATOM 0 HA VAL A 40 5.706 -7.839 -11.941 1.00 0.00 H new ATOM 0 HB VAL A 40 3.820 -9.080 -11.312 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.606 -11.518 -11.569 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.898 -10.712 -13.129 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.222 -11.578 -12.313 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.526 -10.569 -9.482 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.179 -10.589 -10.141 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.486 -9.071 -9.522 1.00 0.00 H new ATOM 561 N LYS A 41 7.872 -8.764 -11.087 1.00 0.00 N ATOM 562 CA LYS A 41 9.222 -9.186 -10.731 1.00 0.00 C ATOM 563 C LYS A 41 9.381 -9.282 -9.217 1.00 0.00 C ATOM 564 O LYS A 41 9.107 -8.324 -8.493 1.00 0.00 O ATOM 565 CB LYS A 41 10.251 -8.208 -11.302 1.00 0.00 C ATOM 566 CG LYS A 41 11.586 -8.853 -11.632 1.00 0.00 C ATOM 567 CD LYS A 41 12.699 -7.823 -11.710 1.00 0.00 C ATOM 568 CE LYS A 41 13.986 -8.432 -12.247 1.00 0.00 C ATOM 569 NZ LYS A 41 15.137 -7.496 -12.121 1.00 0.00 N ATOM 0 H LYS A 41 7.551 -7.925 -10.603 1.00 0.00 H new ATOM 0 HA LYS A 41 9.392 -10.174 -11.159 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.844 -7.752 -12.205 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.413 -7.404 -10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.829 -9.596 -10.873 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.511 -9.381 -12.582 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.389 -6.999 -12.353 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.879 -7.404 -10.720 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.206 -9.352 -11.706 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.851 -8.702 -13.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.995 -7.948 -12.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.939 -6.628 -12.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.283 -7.258 -11.119 1.00 0.00 H new ATOM 583 N ILE A 42 9.825 -10.442 -8.746 1.00 0.00 N ATOM 584 CA ILE A 42 10.023 -10.660 -7.318 1.00 0.00 C ATOM 585 C ILE A 42 11.474 -10.416 -6.920 1.00 0.00 C ATOM 586 O ILE A 42 12.381 -11.107 -7.385 1.00 0.00 O ATOM 587 CB ILE A 42 9.623 -12.090 -6.907 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.306 -12.487 -7.576 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.507 -12.193 -5.393 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.081 -11.983 -6.845 1.00 0.00 C ATOM 0 H ILE A 42 10.054 -11.245 -9.332 1.00 0.00 H new ATOM 0 HA ILE A 42 9.382 -9.948 -6.798 1.00 0.00 H new ATOM 0 HB ILE A 42 10.400 -12.779 -7.240 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.295 -12.101 -8.595 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.256 -13.574 -7.646 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.224 -13.209 -5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.466 -11.948 -4.937 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.748 -11.496 -5.038 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.184 -12.302 -7.376 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.068 -12.389 -5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.107 -10.894 -6.798 1.00 0.00 H new ATOM 602 N ILE A 43 11.687 -9.429 -6.056 1.00 0.00 N ATOM 603 CA ILE A 43 13.028 -9.095 -5.593 1.00 0.00 C ATOM 604 C ILE A 43 13.523 -10.108 -4.566 1.00 0.00 C ATOM 605 O ILE A 43 13.087 -10.104 -3.415 1.00 0.00 O ATOM 606 CB ILE A 43 13.075 -7.687 -4.972 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.573 -6.646 -5.975 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.489 -7.355 -4.518 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.245 -6.738 -7.328 1.00 0.00 C ATOM 0 H ILE A 43 10.948 -8.847 -5.663 1.00 0.00 H new ATOM 0 HA ILE A 43 13.679 -9.119 -6.467 1.00 0.00 H new ATOM 0 HB ILE A 43 12.421 -7.669 -4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.497 -6.766 -6.104 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.736 -5.649 -5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.506 -6.356 -4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.812 -8.082 -3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.163 -7.388 -5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.840 -5.971 -7.988 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.318 -6.588 -7.212 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.061 -7.722 -7.760 1.00 0.00 H new ATOM 621 N ARG A 44 14.438 -10.974 -4.991 1.00 0.00 N ATOM 622 CA ARG A 44 14.993 -11.992 -4.108 1.00 0.00 C ATOM 623 C ARG A 44 16.510 -11.857 -4.007 1.00 0.00 C ATOM 624 O ARG A 44 17.141 -11.206 -4.839 1.00 0.00 O ATOM 625 CB ARG A 44 14.628 -13.389 -4.613 1.00 0.00 C ATOM 626 CG ARG A 44 13.149 -13.558 -4.921 1.00 0.00 C ATOM 627 CD ARG A 44 12.836 -14.969 -5.395 1.00 0.00 C ATOM 628 NE ARG A 44 13.392 -15.237 -6.719 1.00 0.00 N ATOM 629 CZ ARG A 44 14.637 -15.651 -6.923 1.00 0.00 C ATOM 630 NH1 ARG A 44 15.453 -15.844 -5.895 1.00 0.00 N ATOM 631 NH2 ARG A 44 15.070 -15.874 -8.158 1.00 0.00 N ATOM 0 H ARG A 44 14.810 -10.990 -5.941 1.00 0.00 H new ATOM 0 HA ARG A 44 14.566 -11.848 -3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.205 -13.603 -5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.921 -14.125 -3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.563 -13.334 -4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.852 -12.841 -5.687 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.237 -15.689 -4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.756 -15.112 -5.420 1.00 0.00 H new ATOM 0 HE ARG A 44 12.791 -15.099 -7.531 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.125 -15.674 -4.944 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.409 -16.162 -6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.446 -15.727 -8.951 1.00 0.00 H new ATOM 0 HH22 ARG A 44 16.027 -16.192 -8.313 1.00 0.00 H new ATOM 645 N ASN A 45 17.088 -12.475 -2.983 1.00 0.00 N ATOM 646 CA ASN A 45 18.530 -12.422 -2.773 1.00 0.00 C ATOM 647 C ASN A 45 19.245 -13.446 -3.649 1.00 0.00 C ATOM 648 O ASN A 45 18.616 -14.336 -4.221 1.00 0.00 O ATOM 649 CB ASN A 45 18.861 -12.675 -1.300 1.00 0.00 C ATOM 650 CG ASN A 45 20.132 -11.970 -0.865 1.00 0.00 C ATOM 651 OD1 ASN A 45 21.235 -12.478 -1.062 1.00 0.00 O ATOM 652 ND2 ASN A 45 19.981 -10.793 -0.269 1.00 0.00 N ATOM 0 H ASN A 45 16.580 -13.019 -2.285 1.00 0.00 H new ATOM 0 HA ASN A 45 18.877 -11.427 -3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.031 -12.337 -0.680 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.968 -13.747 -1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 45 20.799 -10.272 0.046 1.00 0.00 H new ATOM 0 HD22 ASN A 45 19.047 -10.410 -0.126 1.00 0.00 H new ATOM 659 N ARG A 46 20.564 -13.313 -3.749 1.00 0.00 N ATOM 660 CA ARG A 46 21.364 -14.225 -4.556 1.00 0.00 C ATOM 661 C ARG A 46 21.950 -15.341 -3.695 1.00 0.00 C ATOM 662 O ARG A 46 22.335 -16.395 -4.204 1.00 0.00 O ATOM 663 CB ARG A 46 22.491 -13.465 -5.258 1.00 0.00 C ATOM 664 CG ARG A 46 23.264 -14.308 -6.259 1.00 0.00 C ATOM 665 CD ARG A 46 22.620 -14.268 -7.636 1.00 0.00 C ATOM 666 NE ARG A 46 23.359 -15.069 -8.609 1.00 0.00 N ATOM 667 CZ ARG A 46 23.263 -16.391 -8.696 1.00 0.00 C ATOM 668 NH1 ARG A 46 22.464 -17.057 -7.874 1.00 0.00 N ATOM 669 NH2 ARG A 46 23.967 -17.050 -9.608 1.00 0.00 N ATOM 0 H ARG A 46 21.100 -12.582 -3.281 1.00 0.00 H new ATOM 0 HA ARG A 46 20.713 -14.671 -5.307 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.070 -12.601 -5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 46 23.183 -13.083 -4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 46 24.290 -13.946 -6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 46 23.312 -15.339 -5.908 1.00 0.00 H new ATOM 0 HD2 ARG A 46 21.596 -14.634 -7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 46 22.567 -13.236 -7.982 1.00 0.00 H new ATOM 0 HE ARG A 46 23.982 -14.587 -9.257 1.00 0.00 H new ATOM 0 HH11 ARG A 46 21.921 -16.554 -7.172 1.00 0.00 H new ATOM 0 HH12 ARG A 46 22.393 -18.072 -7.943 1.00 0.00 H new ATOM 0 HH21 ARG A 46 24.582 -16.541 -10.243 1.00 0.00 H new ATOM 0 HH22 ARG A 46 23.893 -18.065 -9.674 1.00 0.00 H new ATOM 683 N LEU A 47 22.013 -15.103 -2.390 1.00 0.00 N ATOM 684 CA LEU A 47 22.552 -16.088 -1.458 1.00 0.00 C ATOM 685 C LEU A 47 21.428 -16.845 -0.756 1.00 0.00 C ATOM 686 O LEU A 47 21.439 -18.075 -0.692 1.00 0.00 O ATOM 687 CB LEU A 47 23.445 -15.403 -0.422 1.00 0.00 C ATOM 688 CG LEU A 47 24.836 -14.988 -0.905 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.669 -16.213 -1.247 1.00 0.00 C ATOM 690 CD2 LEU A 47 24.728 -14.061 -2.107 1.00 0.00 C ATOM 0 H LEU A 47 21.698 -14.237 -1.953 1.00 0.00 H new ATOM 0 HA LEU A 47 23.147 -16.803 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.929 -14.515 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.563 -16.075 0.428 1.00 0.00 H new ATOM 0 HG LEU A 47 25.334 -14.449 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.655 -15.899 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 47 25.775 -16.840 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.175 -16.780 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 47 25.727 -13.776 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.211 -14.575 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.169 -13.168 -1.828 1.00 0.00 H new ATOM 702 N THR A 48 20.458 -16.102 -0.232 1.00 0.00 N ATOM 703 CA THR A 48 19.327 -16.702 0.464 1.00 0.00 C ATOM 704 C THR A 48 18.200 -17.036 -0.506 1.00 0.00 C ATOM 705 O THR A 48 17.414 -17.952 -0.268 1.00 0.00 O ATOM 706 CB THR A 48 18.784 -15.769 1.563 1.00 0.00 C ATOM 707 OG1 THR A 48 18.588 -14.453 1.035 1.00 0.00 O ATOM 708 CG2 THR A 48 19.742 -15.710 2.743 1.00 0.00 C ATOM 0 H THR A 48 20.433 -15.083 -0.277 1.00 0.00 H new ATOM 0 HA THR A 48 19.690 -17.620 0.925 1.00 0.00 H new ATOM 0 HB THR A 48 17.830 -16.167 1.909 1.00 0.00 H new ATOM 0 HG1 THR A 48 18.241 -13.866 1.739 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.338 -15.045 3.507 1.00 0.00 H new ATOM 0 HG22 THR A 48 19.867 -16.709 3.161 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.709 -15.333 2.408 1.00 0.00 H new ATOM 716 N GLY A 49 18.126 -16.287 -1.602 1.00 0.00 N ATOM 717 CA GLY A 49 17.091 -16.520 -2.592 1.00 0.00 C ATOM 718 C GLY A 49 15.719 -16.094 -2.108 1.00 0.00 C ATOM 719 O GLY A 49 14.741 -16.165 -2.853 1.00 0.00 O ATOM 0 H GLY A 49 18.765 -15.523 -1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.336 -15.976 -3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.070 -17.579 -2.848 1.00 0.00 H new ATOM 723 N ILE A 50 15.646 -15.652 -0.857 1.00 0.00 N ATOM 724 CA ILE A 50 14.384 -15.213 -0.275 1.00 0.00 C ATOM 725 C ILE A 50 13.983 -13.839 -0.801 1.00 0.00 C ATOM 726 O ILE A 50 14.809 -12.936 -0.942 1.00 0.00 O ATOM 727 CB ILE A 50 14.461 -15.159 1.262 1.00 0.00 C ATOM 728 CG1 ILE A 50 14.779 -16.545 1.827 1.00 0.00 C ATOM 729 CG2 ILE A 50 13.156 -14.632 1.840 1.00 0.00 C ATOM 730 CD1 ILE A 50 15.098 -16.536 3.306 1.00 0.00 C ATOM 0 H ILE A 50 16.446 -15.588 -0.227 1.00 0.00 H new ATOM 0 HA ILE A 50 13.631 -15.945 -0.568 1.00 0.00 H new ATOM 0 HB ILE A 50 15.263 -14.478 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 50 13.929 -17.204 1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.626 -16.965 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.226 -14.600 2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.968 -13.628 1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.337 -15.290 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.313 -17.552 3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.967 -15.903 3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.244 -16.147 3.860 1.00 0.00 H new ATOM 742 N PRO A 51 12.686 -13.674 -1.098 1.00 0.00 N ATOM 743 CA PRO A 51 12.145 -12.412 -1.611 1.00 0.00 C ATOM 744 C PRO A 51 12.145 -11.310 -0.557 1.00 0.00 C ATOM 745 O PRO A 51 11.474 -11.420 0.468 1.00 0.00 O ATOM 746 CB PRO A 51 10.712 -12.774 -2.006 1.00 0.00 C ATOM 747 CG PRO A 51 10.366 -13.942 -1.148 1.00 0.00 C ATOM 748 CD PRO A 51 11.646 -14.707 -0.955 1.00 0.00 C ATOM 0 HA PRO A 51 12.741 -12.018 -2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.031 -11.940 -1.833 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.645 -13.026 -3.064 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.958 -13.616 -0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.607 -14.564 -1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.685 -15.184 0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.759 -15.496 -1.698 1.00 0.00 H new ATOM 756 N ALA A 52 12.902 -10.249 -0.816 1.00 0.00 N ATOM 757 CA ALA A 52 12.987 -9.126 0.109 1.00 0.00 C ATOM 758 C ALA A 52 11.650 -8.883 0.802 1.00 0.00 C ATOM 759 O ALA A 52 11.605 -8.441 1.949 1.00 0.00 O ATOM 760 CB ALA A 52 13.440 -7.872 -0.622 1.00 0.00 C ATOM 0 H ALA A 52 13.466 -10.144 -1.660 1.00 0.00 H new ATOM 0 HA ALA A 52 13.724 -9.373 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.499 -7.042 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.422 -8.043 -1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.725 -7.631 -1.408 1.00 0.00 H new ATOM 766 N GLY A 53 10.561 -9.175 0.096 1.00 0.00 N ATOM 767 CA GLY A 53 9.238 -8.981 0.659 1.00 0.00 C ATOM 768 C GLY A 53 8.387 -8.041 -0.171 1.00 0.00 C ATOM 769 O GLY A 53 7.336 -7.583 0.278 1.00 0.00 O ATOM 0 H GLY A 53 10.572 -9.542 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.736 -9.945 0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.331 -8.585 1.670 1.00 0.00 H new ATOM 773 N TYR A 54 8.842 -7.749 -1.385 1.00 0.00 N ATOM 774 CA TYR A 54 8.118 -6.853 -2.278 1.00 0.00 C ATOM 775 C TYR A 54 8.400 -7.195 -3.738 1.00 0.00 C ATOM 776 O TYR A 54 9.434 -7.780 -4.062 1.00 0.00 O ATOM 777 CB TYR A 54 8.502 -5.400 -1.999 1.00 0.00 C ATOM 778 CG TYR A 54 9.929 -5.068 -2.373 1.00 0.00 C ATOM 779 CD1 TYR A 54 10.980 -5.366 -1.515 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.227 -4.457 -3.585 1.00 0.00 C ATOM 781 CE1 TYR A 54 12.286 -5.065 -1.852 1.00 0.00 C ATOM 782 CE2 TYR A 54 11.529 -4.153 -3.931 1.00 0.00 C ATOM 783 CZ TYR A 54 12.555 -4.459 -3.061 1.00 0.00 C ATOM 784 OH TYR A 54 13.854 -4.157 -3.402 1.00 0.00 O ATOM 0 H TYR A 54 9.709 -8.120 -1.773 1.00 0.00 H new ATOM 0 HA TYR A 54 7.051 -6.981 -2.093 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.829 -4.743 -2.550 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.355 -5.191 -0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.773 -5.841 -0.568 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.426 -4.216 -4.268 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.091 -5.303 -1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.743 -3.678 -4.877 1.00 0.00 H new ATOM 0 HH TYR A 54 13.870 -3.734 -4.286 1.00 0.00 H new ATOM 794 N CYS A 55 7.473 -6.824 -4.615 1.00 0.00 N ATOM 795 CA CYS A 55 7.620 -7.090 -6.042 1.00 0.00 C ATOM 796 C CYS A 55 7.143 -5.901 -6.869 1.00 0.00 C ATOM 797 O CYS A 55 6.319 -5.106 -6.415 1.00 0.00 O ATOM 798 CB CYS A 55 6.837 -8.345 -6.431 1.00 0.00 C ATOM 799 SG CYS A 55 5.093 -8.041 -6.800 1.00 0.00 S ATOM 0 H CYS A 55 6.612 -6.338 -4.363 1.00 0.00 H new ATOM 0 HA CYS A 55 8.678 -7.252 -6.249 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.308 -8.799 -7.303 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.905 -9.069 -5.619 1.00 0.00 H new ATOM 0 HG CYS A 55 4.980 -7.573 -8.007 1.00 0.00 H new ATOM 805 N PHE A 56 7.667 -5.783 -8.084 1.00 0.00 N ATOM 806 CA PHE A 56 7.297 -4.689 -8.974 1.00 0.00 C ATOM 807 C PHE A 56 6.322 -5.166 -10.046 1.00 0.00 C ATOM 808 O PHE A 56 6.471 -6.258 -10.596 1.00 0.00 O ATOM 809 CB PHE A 56 8.544 -4.094 -9.631 1.00 0.00 C ATOM 810 CG PHE A 56 9.444 -3.374 -8.668 1.00 0.00 C ATOM 811 CD1 PHE A 56 9.019 -2.216 -8.037 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.714 -3.854 -8.394 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.844 -1.551 -7.149 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.543 -3.193 -7.508 1.00 0.00 C ATOM 815 CZ PHE A 56 11.108 -2.040 -6.885 1.00 0.00 C ATOM 0 H PHE A 56 8.350 -6.432 -8.475 1.00 0.00 H new ATOM 0 HA PHE A 56 6.806 -3.919 -8.378 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.107 -4.893 -10.114 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.237 -3.402 -10.415 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.032 -1.828 -8.241 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.060 -4.755 -8.878 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.500 -0.650 -6.662 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.531 -3.578 -7.303 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.755 -1.522 -6.193 1.00 0.00 H new ATOM 825 N VAL A 57 5.322 -4.340 -10.338 1.00 0.00 N ATOM 826 CA VAL A 57 4.322 -4.676 -11.344 1.00 0.00 C ATOM 827 C VAL A 57 4.292 -3.636 -12.458 1.00 0.00 C ATOM 828 O VAL A 57 4.293 -2.434 -12.197 1.00 0.00 O ATOM 829 CB VAL A 57 2.917 -4.788 -10.723 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.621 -6.227 -10.327 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.789 -3.860 -9.525 1.00 0.00 C ATOM 0 H VAL A 57 5.183 -3.433 -9.892 1.00 0.00 H new ATOM 0 HA VAL A 57 4.605 -5.643 -11.761 1.00 0.00 H new ATOM 0 HB VAL A 57 2.183 -4.484 -11.470 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.624 -6.286 -9.890 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.669 -6.865 -11.210 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.358 -6.562 -9.597 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.790 -3.952 -9.099 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.531 -4.131 -8.774 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.954 -2.831 -9.843 1.00 0.00 H new ATOM 841 N GLU A 58 4.265 -4.108 -13.701 1.00 0.00 N ATOM 842 CA GLU A 58 4.236 -3.218 -14.855 1.00 0.00 C ATOM 843 C GLU A 58 2.814 -3.065 -15.387 1.00 0.00 C ATOM 844 O GLU A 58 1.972 -3.944 -15.203 1.00 0.00 O ATOM 845 CB GLU A 58 5.151 -3.748 -15.960 1.00 0.00 C ATOM 846 CG GLU A 58 5.581 -2.685 -16.957 1.00 0.00 C ATOM 847 CD GLU A 58 6.930 -2.982 -17.582 1.00 0.00 C ATOM 848 OE1 GLU A 58 7.134 -4.125 -18.039 1.00 0.00 O ATOM 849 OE2 GLU A 58 7.782 -2.069 -17.613 1.00 0.00 O ATOM 0 H GLU A 58 4.263 -5.101 -13.934 1.00 0.00 H new ATOM 0 HA GLU A 58 4.594 -2.239 -14.536 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.039 -4.188 -15.505 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.637 -4.548 -16.493 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.830 -2.605 -17.743 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.622 -1.718 -16.456 1.00 0.00 H new ATOM 856 N PHE A 59 2.554 -1.942 -16.049 1.00 0.00 N ATOM 857 CA PHE A 59 1.234 -1.671 -16.607 1.00 0.00 C ATOM 858 C PHE A 59 1.346 -0.918 -17.929 1.00 0.00 C ATOM 859 O PHE A 59 2.440 -0.548 -18.354 1.00 0.00 O ATOM 860 CB PHE A 59 0.393 -0.863 -15.616 1.00 0.00 C ATOM 861 CG PHE A 59 -0.068 -1.661 -14.431 1.00 0.00 C ATOM 862 CD1 PHE A 59 0.724 -1.766 -13.299 1.00 0.00 C ATOM 863 CD2 PHE A 59 -1.295 -2.305 -14.448 1.00 0.00 C ATOM 864 CE1 PHE A 59 0.302 -2.500 -12.206 1.00 0.00 C ATOM 865 CE2 PHE A 59 -1.722 -3.039 -13.358 1.00 0.00 C ATOM 866 CZ PHE A 59 -0.922 -3.138 -12.236 1.00 0.00 C ATOM 0 H PHE A 59 3.240 -1.205 -16.212 1.00 0.00 H new ATOM 0 HA PHE A 59 0.744 -2.626 -16.794 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.977 -0.012 -15.266 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.478 -0.461 -16.134 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.682 -1.269 -13.270 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.924 -2.232 -15.323 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.929 -2.574 -11.330 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.681 -3.535 -13.383 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.253 -3.713 -11.384 1.00 0.00 H new ATOM 876 N ALA A 60 0.207 -0.696 -18.576 1.00 0.00 N ATOM 877 CA ALA A 60 0.176 0.014 -19.849 1.00 0.00 C ATOM 878 C ALA A 60 0.909 1.347 -19.751 1.00 0.00 C ATOM 879 O ALA A 60 1.820 1.624 -20.532 1.00 0.00 O ATOM 880 CB ALA A 60 -1.261 0.230 -20.298 1.00 0.00 C ATOM 0 H ALA A 60 -0.707 -0.998 -18.239 1.00 0.00 H new ATOM 0 HA ALA A 60 0.688 -0.598 -20.592 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.269 0.761 -21.250 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.754 -0.735 -20.417 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.791 0.819 -19.550 1.00 0.00 H new ATOM 886 N ASP A 61 0.505 2.170 -18.789 1.00 0.00 N ATOM 887 CA ASP A 61 1.124 3.475 -18.590 1.00 0.00 C ATOM 888 C ASP A 61 0.909 3.966 -17.162 1.00 0.00 C ATOM 889 O ASP A 61 0.235 3.313 -16.364 1.00 0.00 O ATOM 890 CB ASP A 61 0.554 4.490 -19.582 1.00 0.00 C ATOM 891 CG ASP A 61 -0.927 4.288 -19.831 1.00 0.00 C ATOM 892 OD1 ASP A 61 -1.723 4.522 -18.898 1.00 0.00 O ATOM 893 OD2 ASP A 61 -1.292 3.895 -20.960 1.00 0.00 O ATOM 0 H ASP A 61 -0.248 1.956 -18.135 1.00 0.00 H new ATOM 0 HA ASP A 61 2.195 3.372 -18.763 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.721 5.498 -19.202 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.092 4.412 -20.527 1.00 0.00 H new ATOM 898 N LEU A 62 1.486 5.120 -16.845 1.00 0.00 N ATOM 899 CA LEU A 62 1.359 5.698 -15.512 1.00 0.00 C ATOM 900 C LEU A 62 -0.107 5.920 -15.152 1.00 0.00 C ATOM 901 O LEU A 62 -0.561 5.520 -14.081 1.00 0.00 O ATOM 902 CB LEU A 62 2.121 7.022 -15.434 1.00 0.00 C ATOM 903 CG LEU A 62 2.020 7.778 -14.108 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.793 7.050 -13.019 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.532 9.202 -14.266 1.00 0.00 C ATOM 0 H LEU A 62 2.046 5.674 -17.493 1.00 0.00 H new ATOM 0 HA LEU A 62 1.788 4.996 -14.796 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.174 6.825 -15.638 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.759 7.674 -16.229 1.00 0.00 H new ATOM 0 HG LEU A 62 0.971 7.821 -13.815 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.710 7.602 -12.083 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.381 6.049 -12.888 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.842 6.976 -13.305 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.453 9.725 -13.313 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.575 9.181 -14.583 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.936 9.722 -15.016 1.00 0.00 H new ATOM 917 N ALA A 63 -0.842 6.560 -16.056 1.00 0.00 N ATOM 918 CA ALA A 63 -2.257 6.831 -15.836 1.00 0.00 C ATOM 919 C ALA A 63 -2.978 5.595 -15.311 1.00 0.00 C ATOM 920 O ALA A 63 -3.564 5.617 -14.228 1.00 0.00 O ATOM 921 CB ALA A 63 -2.908 7.317 -17.123 1.00 0.00 C ATOM 0 H ALA A 63 -0.481 6.900 -16.947 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.338 7.614 -15.082 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.965 7.515 -16.944 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.418 8.232 -17.455 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.808 6.552 -17.893 1.00 0.00 H new ATOM 927 N THR A 64 -2.933 4.515 -16.085 1.00 0.00 N ATOM 928 CA THR A 64 -3.583 3.269 -15.699 1.00 0.00 C ATOM 929 C THR A 64 -3.104 2.801 -14.329 1.00 0.00 C ATOM 930 O THR A 64 -3.899 2.354 -13.503 1.00 0.00 O ATOM 931 CB THR A 64 -3.322 2.156 -16.730 1.00 0.00 C ATOM 932 OG1 THR A 64 -3.962 2.476 -17.970 1.00 0.00 O ATOM 933 CG2 THR A 64 -3.832 0.816 -16.221 1.00 0.00 C ATOM 0 H THR A 64 -2.452 4.478 -16.984 1.00 0.00 H new ATOM 0 HA THR A 64 -4.653 3.470 -15.657 1.00 0.00 H new ATOM 0 HB THR A 64 -2.246 2.082 -16.886 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.413 3.119 -18.465 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.636 0.045 -16.967 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.321 0.561 -15.293 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.905 0.880 -16.039 1.00 0.00 H new ATOM 941 N ALA A 65 -1.800 2.907 -14.095 1.00 0.00 N ATOM 942 CA ALA A 65 -1.216 2.496 -12.825 1.00 0.00 C ATOM 943 C ALA A 65 -1.890 3.208 -11.656 1.00 0.00 C ATOM 944 O ALA A 65 -2.147 2.603 -10.615 1.00 0.00 O ATOM 945 CB ALA A 65 0.280 2.769 -12.819 1.00 0.00 C ATOM 0 H ALA A 65 -1.128 3.274 -14.769 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.379 1.425 -12.708 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.703 2.457 -11.864 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.755 2.211 -13.626 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.456 3.835 -12.963 1.00 0.00 H new ATOM 951 N GLU A 66 -2.172 4.494 -11.835 1.00 0.00 N ATOM 952 CA GLU A 66 -2.814 5.287 -10.793 1.00 0.00 C ATOM 953 C GLU A 66 -4.190 4.724 -10.452 1.00 0.00 C ATOM 954 O GLU A 66 -4.412 4.219 -9.351 1.00 0.00 O ATOM 955 CB GLU A 66 -2.943 6.746 -11.238 1.00 0.00 C ATOM 956 CG GLU A 66 -1.741 7.602 -10.876 1.00 0.00 C ATOM 957 CD GLU A 66 -1.616 8.833 -11.753 1.00 0.00 C ATOM 958 OE1 GLU A 66 -1.033 8.721 -12.852 1.00 0.00 O ATOM 959 OE2 GLU A 66 -2.100 9.907 -11.340 1.00 0.00 O ATOM 0 H GLU A 66 -1.966 5.009 -12.691 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.190 5.241 -9.900 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.088 6.776 -12.318 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.835 7.178 -10.785 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.820 7.910 -9.833 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.834 7.004 -10.964 1.00 0.00 H new ATOM 966 N LYS A 67 -5.113 4.816 -11.403 1.00 0.00 N ATOM 967 CA LYS A 67 -6.469 4.316 -11.206 1.00 0.00 C ATOM 968 C LYS A 67 -6.451 2.860 -10.752 1.00 0.00 C ATOM 969 O LYS A 67 -7.337 2.417 -10.020 1.00 0.00 O ATOM 970 CB LYS A 67 -7.277 4.449 -12.499 1.00 0.00 C ATOM 971 CG LYS A 67 -7.566 5.888 -12.890 1.00 0.00 C ATOM 972 CD LYS A 67 -6.457 6.465 -13.752 1.00 0.00 C ATOM 973 CE LYS A 67 -6.966 7.598 -14.631 1.00 0.00 C ATOM 974 NZ LYS A 67 -7.128 8.864 -13.864 1.00 0.00 N ATOM 0 H LYS A 67 -4.947 5.233 -12.319 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.941 4.915 -10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.733 3.963 -13.309 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.221 3.916 -12.384 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.511 5.936 -13.431 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.682 6.494 -11.991 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.652 6.831 -13.114 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.035 5.679 -14.378 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.271 7.759 -15.455 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.922 7.315 -15.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.476 9.612 -14.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.810 8.718 -13.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.211 9.148 -13.465 1.00 0.00 H new ATOM 988 N CYS A 68 -5.437 2.121 -11.190 1.00 0.00 N ATOM 989 CA CYS A 68 -5.304 0.715 -10.828 1.00 0.00 C ATOM 990 C CYS A 68 -4.679 0.566 -9.444 1.00 0.00 C ATOM 991 O CYS A 68 -4.747 -0.501 -8.832 1.00 0.00 O ATOM 992 CB CYS A 68 -4.455 -0.022 -11.865 1.00 0.00 C ATOM 993 SG CYS A 68 -4.529 -1.824 -11.734 1.00 0.00 S ATOM 0 H CYS A 68 -4.696 2.473 -11.796 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.301 0.276 -10.806 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.782 0.273 -12.862 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.418 0.297 -11.762 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.497 -2.345 -12.329 1.00 0.00 H new ATOM 999 N LEU A 69 -4.070 1.642 -8.957 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.432 1.631 -7.645 1.00 0.00 C ATOM 1001 C LEU A 69 -4.391 2.129 -6.569 1.00 0.00 C ATOM 1002 O LEU A 69 -4.296 1.734 -5.407 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.172 2.498 -7.663 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.741 3.083 -6.318 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -0.899 2.081 -5.544 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.974 4.381 -6.522 1.00 0.00 C ATOM 0 H LEU A 69 -4.005 2.532 -9.450 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.155 0.603 -7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.350 1.901 -8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.331 3.321 -8.360 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.636 3.300 -5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.602 2.516 -4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.482 1.177 -5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.009 1.831 -6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.675 4.783 -5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.086 4.188 -7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.610 5.103 -7.034 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.316 2.999 -6.964 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.294 3.549 -6.033 1.00 0.00 C ATOM 1020 C HIS A 70 -7.504 2.628 -5.909 1.00 0.00 C ATOM 1021 O HIS A 70 -8.324 2.781 -5.003 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.741 4.938 -6.492 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.661 5.972 -6.410 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.337 6.630 -5.242 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.828 6.459 -7.359 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.352 7.479 -5.477 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -4.024 7.394 -6.754 1.00 0.00 N ATOM 0 H HIS A 70 -5.408 3.338 -7.922 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.821 3.632 -5.055 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.095 4.875 -7.521 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.586 5.258 -5.883 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.801 6.167 -8.398 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.893 8.131 -4.749 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.293 7.935 -7.216 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.610 1.672 -6.825 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.719 0.725 -6.819 1.00 0.00 C ATOM 1037 C LYS A 71 -8.412 -0.466 -5.916 1.00 0.00 C ATOM 1038 O LYS A 71 -9.314 -1.208 -5.524 1.00 0.00 O ATOM 1039 CB LYS A 71 -9.009 0.239 -8.241 1.00 0.00 C ATOM 1040 CG LYS A 71 -7.882 -0.580 -8.846 1.00 0.00 C ATOM 1041 CD LYS A 71 -8.036 -2.059 -8.531 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.288 -2.638 -9.173 1.00 0.00 C ATOM 1043 NZ LYS A 71 -10.457 -2.587 -8.252 1.00 0.00 N ATOM 0 H LYS A 71 -6.941 1.532 -7.582 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.599 1.237 -6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.919 -0.361 -8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.202 1.102 -8.878 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.866 -0.437 -9.926 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.926 -0.223 -8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.160 -2.601 -8.886 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.081 -2.199 -7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.518 -2.085 -10.083 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.101 -3.671 -9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.860 -3.540 -8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.151 -2.239 -7.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.178 -1.947 -8.641 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.137 -0.642 -5.589 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.713 -1.741 -4.730 1.00 0.00 C ATOM 1059 C ILE A 72 -5.903 -1.230 -3.544 1.00 0.00 C ATOM 1060 O ILE A 72 -5.560 -1.991 -2.640 1.00 0.00 O ATOM 1061 CB ILE A 72 -5.872 -2.770 -5.507 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.119 -2.087 -6.651 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.759 -3.885 -6.041 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.404 -3.056 -7.567 1.00 0.00 C ATOM 0 H ILE A 72 -6.379 -0.038 -5.906 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.619 -2.225 -4.366 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.142 -3.208 -4.827 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.823 -1.497 -7.238 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.392 -1.391 -6.232 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.150 -4.604 -6.588 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.253 -4.387 -5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.510 -3.464 -6.709 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.892 -2.502 -8.354 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.675 -3.629 -6.993 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.129 -3.736 -8.014 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.602 0.064 -3.553 1.00 0.00 N ATOM 1077 CA ASN A 73 -4.833 0.678 -2.476 1.00 0.00 C ATOM 1078 C ASN A 73 -5.584 0.587 -1.151 1.00 0.00 C ATOM 1079 O ASN A 73 -6.270 1.526 -0.749 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.532 2.141 -2.806 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.355 2.989 -1.561 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -5.253 3.735 -1.172 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -3.191 2.879 -0.931 1.00 0.00 N ATOM 0 H ASN A 73 -5.879 0.708 -4.294 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.893 0.134 -2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.627 2.196 -3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.344 2.549 -3.408 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.013 3.426 -0.089 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.475 2.247 -1.290 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.448 -0.550 -0.476 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.119 -0.743 0.796 1.00 0.00 C ATOM 1092 C GLY A 74 -7.134 -1.867 0.752 1.00 0.00 C ATOM 1093 O GLY A 74 -7.559 -2.371 1.792 1.00 0.00 O ATOM 0 H GLY A 74 -4.885 -1.341 -0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.377 -0.957 1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.618 0.182 1.084 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.527 -2.261 -0.454 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.499 -3.333 -0.631 1.00 0.00 C ATOM 1099 C LYS A 75 -7.921 -4.671 -0.184 1.00 0.00 C ATOM 1100 O LYS A 75 -6.706 -4.864 -0.131 1.00 0.00 O ATOM 1101 CB LYS A 75 -8.935 -3.417 -2.096 1.00 0.00 C ATOM 1102 CG LYS A 75 -9.972 -2.377 -2.483 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.385 -2.892 -2.266 1.00 0.00 C ATOM 1104 CE LYS A 75 -11.869 -2.613 -0.851 1.00 0.00 C ATOM 1105 NZ LYS A 75 -13.349 -2.462 -0.790 1.00 0.00 N ATOM 0 H LYS A 75 -7.187 -1.853 -1.325 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.368 -3.108 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.059 -3.299 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.339 -4.411 -2.290 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.819 -1.472 -1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.840 -2.102 -3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.059 -2.421 -2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.416 -3.965 -2.457 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.560 -3.426 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.396 -1.705 -0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.639 -2.273 0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.642 -1.670 -1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.801 -3.338 -1.122 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.810 -5.620 0.146 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.411 -6.958 0.593 1.00 0.00 C ATOM 1121 C PRO A 76 -7.797 -7.786 -0.532 1.00 0.00 C ATOM 1122 O PRO A 76 -8.376 -7.912 -1.611 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.728 -7.584 1.059 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.782 -6.863 0.293 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.273 -5.460 0.107 1.00 0.00 C ATOM 0 HA PRO A 76 -7.645 -6.917 1.367 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.752 -8.654 0.854 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.866 -7.462 2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.963 -7.343 -0.669 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.728 -6.866 0.834 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.606 -5.034 -0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.626 -4.797 0.897 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.622 -8.348 -0.272 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.929 -9.165 -1.262 1.00 0.00 C ATOM 1135 C LEU A 77 -6.528 -10.566 -1.328 1.00 0.00 C ATOM 1136 O LEU A 77 -6.567 -11.298 -0.339 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.439 -9.250 -0.929 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.673 -10.410 -1.568 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.802 -10.364 -3.083 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -2.209 -10.375 -1.154 1.00 0.00 C ATOM 0 H LEU A 77 -6.129 -8.253 0.616 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.051 -8.692 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.965 -8.317 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.333 -9.323 0.153 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.107 -11.345 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.251 -11.196 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.853 -10.439 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.394 -9.424 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.680 -11.207 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.762 -9.435 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.135 -10.457 -0.070 1.00 0.00 H new ATOM 1152 N PRO A 78 -7.005 -10.951 -2.521 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.608 -12.268 -2.745 1.00 0.00 C ATOM 1154 C PRO A 78 -6.582 -13.394 -2.683 1.00 0.00 C ATOM 1155 O PRO A 78 -5.440 -13.231 -3.112 1.00 0.00 O ATOM 1156 CB PRO A 78 -8.192 -12.155 -4.156 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.372 -11.105 -4.823 1.00 0.00 C ATOM 1158 CD PRO A 78 -6.991 -10.130 -3.744 1.00 0.00 C ATOM 0 HA PRO A 78 -8.346 -12.513 -1.981 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.128 -13.104 -4.688 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.245 -11.876 -4.127 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.486 -11.538 -5.288 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.938 -10.611 -5.613 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.008 -9.695 -3.925 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.699 -9.303 -3.681 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.996 -14.537 -2.144 1.00 0.00 N ATOM 1167 CA GLY A 79 -6.100 -15.673 -2.036 1.00 0.00 C ATOM 1168 C GLY A 79 -5.373 -15.714 -0.706 1.00 0.00 C ATOM 1169 O GLY A 79 -5.334 -16.750 -0.044 1.00 0.00 O ATOM 0 H GLY A 79 -7.936 -14.696 -1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.669 -16.594 -2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.370 -15.634 -2.845 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.795 -14.583 -0.315 1.00 0.00 N ATOM 1174 CA ALA A 80 -4.066 -14.494 0.944 1.00 0.00 C ATOM 1175 C ALA A 80 -4.880 -15.081 2.092 1.00 0.00 C ATOM 1176 O ALA A 80 -6.091 -14.877 2.177 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.700 -13.047 1.241 1.00 0.00 C ATOM 0 H ALA A 80 -4.817 -13.716 -0.852 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.150 -15.077 0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.156 -12.996 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.073 -12.658 0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.609 -12.449 1.313 1.00 0.00 H new ATOM 1183 N THR A 81 -4.207 -15.814 2.975 1.00 0.00 N ATOM 1184 CA THR A 81 -4.868 -16.433 4.117 1.00 0.00 C ATOM 1185 C THR A 81 -4.175 -16.059 5.422 1.00 0.00 C ATOM 1186 O THR A 81 -2.948 -16.038 5.517 1.00 0.00 O ATOM 1187 CB THR A 81 -4.897 -17.967 3.985 1.00 0.00 C ATOM 1188 OG1 THR A 81 -5.634 -18.345 2.817 1.00 0.00 O ATOM 1189 CG2 THR A 81 -5.525 -18.604 5.215 1.00 0.00 C ATOM 0 H THR A 81 -3.204 -15.993 2.920 1.00 0.00 H new ATOM 0 HA THR A 81 -5.891 -16.058 4.132 1.00 0.00 H new ATOM 0 HB THR A 81 -3.870 -18.321 3.896 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.646 -19.322 2.740 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.535 -19.688 5.099 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.944 -18.339 6.099 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.547 -18.243 5.330 1.00 0.00 H new ATOM 1197 N PRO A 82 -4.977 -15.757 6.454 1.00 0.00 N ATOM 1198 CA PRO A 82 -6.440 -15.779 6.352 1.00 0.00 C ATOM 1199 C PRO A 82 -6.976 -14.651 5.477 1.00 0.00 C ATOM 1200 O PRO A 82 -7.821 -14.873 4.610 1.00 0.00 O ATOM 1201 CB PRO A 82 -6.899 -15.597 7.801 1.00 0.00 C ATOM 1202 CG PRO A 82 -5.774 -14.884 8.468 1.00 0.00 C ATOM 1203 CD PRO A 82 -4.519 -15.372 7.799 1.00 0.00 C ATOM 0 HA PRO A 82 -6.803 -16.696 5.888 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.821 -15.019 7.854 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.097 -16.557 8.277 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.878 -13.804 8.361 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.755 -15.098 9.537 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.757 -14.593 7.757 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.082 -16.217 8.332 1.00 0.00 H new ATOM 1211 N ALA A 83 -6.481 -13.440 5.711 1.00 0.00 N ATOM 1212 CA ALA A 83 -6.909 -12.278 4.943 1.00 0.00 C ATOM 1213 C ALA A 83 -5.818 -11.212 4.906 1.00 0.00 C ATOM 1214 O ALA A 83 -5.428 -10.672 5.940 1.00 0.00 O ATOM 1215 CB ALA A 83 -8.191 -11.703 5.527 1.00 0.00 C ATOM 0 H ALA A 83 -5.783 -13.238 6.427 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.101 -12.600 3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.499 -10.835 4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.976 -12.459 5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.017 -11.402 6.560 1.00 0.00 H new ATOM 1221 N LYS A 84 -5.330 -10.915 3.706 1.00 0.00 N ATOM 1222 CA LYS A 84 -4.284 -9.914 3.533 1.00 0.00 C ATOM 1223 C LYS A 84 -4.839 -8.656 2.872 1.00 0.00 C ATOM 1224 O LYS A 84 -5.941 -8.667 2.323 1.00 0.00 O ATOM 1225 CB LYS A 84 -3.140 -10.482 2.690 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.957 -9.539 2.556 1.00 0.00 C ATOM 1227 CD LYS A 84 -0.663 -10.298 2.315 1.00 0.00 C ATOM 1228 CE LYS A 84 0.372 -9.430 1.616 1.00 0.00 C ATOM 1229 NZ LYS A 84 -0.042 -9.085 0.227 1.00 0.00 N ATOM 0 H LYS A 84 -5.642 -11.353 2.839 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.904 -9.648 4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.800 -11.417 3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.517 -10.722 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.133 -8.848 1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.865 -8.939 3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.263 -10.648 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.866 -11.182 1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.524 -8.515 2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.328 -9.953 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.609 -8.373 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.016 -9.939 -0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.009 -8.701 0.238 1.00 0.00 H new ATOM 1243 N ARG A 85 -4.069 -7.575 2.927 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.485 -6.309 2.334 1.00 0.00 C ATOM 1245 C ARG A 85 -3.617 -5.965 1.127 1.00 0.00 C ATOM 1246 O ARG A 85 -2.527 -6.511 0.956 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.406 -5.186 3.369 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.094 -3.904 2.930 1.00 0.00 C ATOM 1249 CD ARG A 85 -5.608 -3.111 4.121 1.00 0.00 C ATOM 1250 NE ARG A 85 -4.576 -2.250 4.692 1.00 0.00 N ATOM 1251 CZ ARG A 85 -4.828 -1.276 5.560 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -6.072 -1.042 5.955 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -3.835 -0.535 6.035 1.00 0.00 N ATOM 0 H ARG A 85 -3.154 -7.550 3.376 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.517 -6.414 2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.856 -5.529 4.300 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.359 -4.972 3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.396 -3.293 2.359 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.924 -4.144 2.266 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.458 -2.502 3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.970 -3.799 4.885 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.608 -2.405 4.409 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.838 -1.610 5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.263 -0.294 6.621 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.877 -0.713 5.734 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.030 0.212 6.701 1.00 0.00 H new ATOM 1267 N PHE A 86 -4.109 -5.055 0.292 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.380 -4.638 -0.900 1.00 0.00 C ATOM 1269 C PHE A 86 -2.480 -3.444 -0.598 1.00 0.00 C ATOM 1270 O PHE A 86 -2.944 -2.306 -0.518 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.357 -4.283 -2.023 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.661 -5.433 -2.940 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.652 -6.034 -3.677 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -5.954 -5.915 -3.065 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -3.929 -7.092 -4.522 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.236 -6.973 -3.908 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.222 -7.563 -4.636 1.00 0.00 C ATOM 0 H PHE A 86 -5.009 -4.593 0.419 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.754 -5.470 -1.222 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.288 -3.923 -1.584 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.943 -3.462 -2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.638 -5.671 -3.590 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.751 -5.458 -2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.135 -7.550 -5.093 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.249 -7.338 -3.997 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.440 -8.392 -5.294 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.189 -3.711 -0.430 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.222 -2.660 -0.136 1.00 0.00 C ATOM 1289 C LYS A 87 0.484 -2.201 -1.408 1.00 0.00 C ATOM 1290 O LYS A 87 1.423 -2.846 -1.876 1.00 0.00 O ATOM 1291 CB LYS A 87 0.808 -3.157 0.881 1.00 0.00 C ATOM 1292 CG LYS A 87 1.491 -2.039 1.650 1.00 0.00 C ATOM 1293 CD LYS A 87 1.928 -2.498 3.031 1.00 0.00 C ATOM 1294 CE LYS A 87 2.583 -1.369 3.812 1.00 0.00 C ATOM 1295 NZ LYS A 87 3.972 -1.105 3.347 1.00 0.00 N ATOM 0 H LYS A 87 -0.788 -4.647 -0.493 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.760 -1.812 0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.315 -3.825 1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.565 -3.745 0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.358 -1.689 1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.810 -1.193 1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.064 -2.870 3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.627 -3.329 2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.987 -0.462 3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.597 -1.622 4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.533 -0.717 4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.403 -1.993 3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.952 -0.420 2.565 1.00 0.00 H new ATOM 1309 N LEU A 88 0.029 -1.082 -1.960 1.00 0.00 N ATOM 1310 CA LEU A 88 0.619 -0.535 -3.177 1.00 0.00 C ATOM 1311 C LEU A 88 1.067 0.908 -2.965 1.00 0.00 C ATOM 1312 O LEU A 88 0.397 1.681 -2.282 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.385 -0.605 -4.330 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.082 -1.951 -4.532 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.098 -1.861 -5.660 1.00 0.00 C ATOM 1316 CD2 LEU A 88 -0.061 -3.042 -4.818 1.00 0.00 C ATOM 0 H LEU A 88 -0.746 -0.536 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 88 1.494 -1.134 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.148 0.156 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.133 -0.345 -5.253 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.610 -2.207 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.584 -2.828 -5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.847 -1.108 -5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.592 -1.583 -6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.575 -3.993 -4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.495 -2.792 -5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.629 -3.124 -3.978 1.00 0.00 H new ATOM 1328 N ASN A 89 2.203 1.262 -3.556 1.00 0.00 N ATOM 1329 CA ASN A 89 2.739 2.613 -3.432 1.00 0.00 C ATOM 1330 C ASN A 89 3.533 2.999 -4.677 1.00 0.00 C ATOM 1331 O ASN A 89 3.982 2.136 -5.432 1.00 0.00 O ATOM 1332 CB ASN A 89 3.630 2.719 -2.192 1.00 0.00 C ATOM 1333 CG ASN A 89 2.851 3.119 -0.954 1.00 0.00 C ATOM 1334 OD1 ASN A 89 2.696 2.330 -0.022 1.00 0.00 O ATOM 1335 ND2 ASN A 89 2.357 4.352 -0.940 1.00 0.00 N ATOM 0 H ASN A 89 2.770 0.633 -4.125 1.00 0.00 H new ATOM 0 HA ASN A 89 1.901 3.302 -3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.119 1.761 -2.016 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.417 3.450 -2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.824 4.679 -0.134 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.510 4.972 -1.735 1.00 0.00 H new ATOM 1342 N TYR A 90 3.703 4.300 -4.883 1.00 0.00 N ATOM 1343 CA TYR A 90 4.441 4.801 -6.037 1.00 0.00 C ATOM 1344 C TYR A 90 5.845 4.206 -6.085 1.00 0.00 C ATOM 1345 O TYR A 90 6.561 4.192 -5.084 1.00 0.00 O ATOM 1346 CB TYR A 90 4.524 6.327 -5.992 1.00 0.00 C ATOM 1347 CG TYR A 90 3.264 7.016 -6.466 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.607 6.592 -7.615 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.730 8.090 -5.765 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.456 7.218 -8.052 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.578 8.721 -6.194 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.945 8.282 -7.338 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.201 8.909 -7.770 1.00 0.00 O ATOM 0 H TYR A 90 3.340 5.027 -4.266 1.00 0.00 H new ATOM 0 HA TYR A 90 3.906 4.499 -6.938 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.737 6.641 -4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.361 6.655 -6.608 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.003 5.759 -8.176 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.224 8.438 -4.870 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.959 6.876 -8.948 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.175 9.554 -5.636 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.427 9.637 -7.155 1.00 0.00 H new ATOM 1363 N ALA A 91 6.233 3.715 -7.258 1.00 0.00 N ATOM 1364 CA ALA A 91 7.551 3.121 -7.439 1.00 0.00 C ATOM 1365 C ALA A 91 8.639 4.006 -6.842 1.00 0.00 C ATOM 1366 O ALA A 91 9.748 3.546 -6.567 1.00 0.00 O ATOM 1367 CB ALA A 91 7.820 2.874 -8.917 1.00 0.00 C ATOM 0 H ALA A 91 5.653 3.717 -8.097 1.00 0.00 H new ATOM 0 HA ALA A 91 7.567 2.166 -6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.808 2.430 -9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.066 2.195 -9.316 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.779 3.820 -9.457 1.00 0.00 H new