USER MOD reduce.3.24.130724 H: found=0, std=0, add=920, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 918 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 116 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 117 GLN : amide:sc= 0.0102 K(o=0.01,f=-2.2) USER MOD Set 2.1: A 109 HIS : no HD1:sc= -1.59! C(o=-4.2!,f=-3.7!) USER MOD Set 2.2: A 110 GLN : amide:sc= -1.08 K(o=-4.2,f=-1.4) USER MOD Set 2.3: A 113 GLN : amide:sc= -1.53 K(o=-4.2,f=-1.4) USER MOD Set 3.1: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 47 HIS : no HD1:sc= -3.25! K(o=-3.3!,f=-1.5) USER MOD Set 4.1: A 36 SER OG : rot 89:sc= 1.45 USER MOD Set 4.2: A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 8 CYS SG : rot 133:sc= -1.34! USER MOD Set 5.2: A 34 CYS SG : rot -119:sc= -3.11! USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 13 SER OG : rot 150:sc= -0.0129 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0759 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 CYS SG : rot 86:sc= -5.94! USER MOD Single : A 21 GLN : amide:sc= -2.9 K(o=-2.9,f=-6.7!) USER MOD Single : A 25 SER OG : rot -104:sc= 0.259 USER MOD Single : A 29 TYR OH : rot 165:sc= -0.128 USER MOD Single : A 30 GLN : amide:sc= -0.713 K(o=-0.71,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 43 TYR OH : rot 120:sc= -1.02 USER MOD Single : A 45 GLN : amide:sc= -3.09! C(o=-3.1!,f=-5!) USER MOD Single : A 50 GLN : amide:sc= -0.143 K(o=-0.14,f=-0.79) USER MOD Single : A 53 CYS SG : rot -18:sc= -2.8! USER MOD Single : A 60 ASN : amide:sc= -0.527 K(o=-0.53,f=-1.2) USER MOD Single : A 62 SER OG : rot 180:sc= 0.107 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.77) USER MOD Single : A 71 CYS SG : rot 180:sc= -6.72! USER MOD Single : A 99 TYR OH : rot -9:sc= 0.554 USER MOD Single : A 100 HIS : no HE2:sc= -18.8! C(o=-18!,f=-20!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -0.0754 X(o=-0.075,f=0) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.071 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLN A 4 3.480 3.836 15.868 1.00 0.00 N ATOM 51 CA GLN A 4 4.329 3.860 14.646 1.00 0.00 C ATOM 52 C GLN A 4 3.454 3.665 13.405 1.00 0.00 C ATOM 53 O GLN A 4 2.325 3.224 13.491 1.00 0.00 O ATOM 54 CB GLN A 4 5.305 2.696 14.811 1.00 0.00 C ATOM 55 CG GLN A 4 6.120 2.895 16.091 1.00 0.00 C ATOM 56 CD GLN A 4 7.232 1.850 16.156 1.00 0.00 C ATOM 57 OE1 GLN A 4 7.329 0.995 15.299 1.00 0.00 O ATOM 58 NE2 GLN A 4 8.075 1.878 17.148 1.00 0.00 N ATOM 0 HA GLN A 4 4.855 4.807 14.522 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.760 1.753 14.857 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.969 2.639 13.949 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.547 3.898 16.110 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.473 2.807 16.964 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.993 2.597 17.867 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.818 1.181 17.206 1.00 0.00 H new ATOM 67 N ILE A 5 3.963 4.001 12.254 1.00 0.00 N ATOM 68 CA ILE A 5 3.162 3.849 11.007 1.00 0.00 C ATOM 69 C ILE A 5 3.214 2.400 10.512 1.00 0.00 C ATOM 70 O ILE A 5 4.244 1.757 10.552 1.00 0.00 O ATOM 71 CB ILE A 5 3.845 4.781 10.007 1.00 0.00 C ATOM 72 CG1 ILE A 5 3.838 6.212 10.550 1.00 0.00 C ATOM 73 CG2 ILE A 5 3.100 4.745 8.675 1.00 0.00 C ATOM 74 CD1 ILE A 5 4.857 7.053 9.776 1.00 0.00 C ATOM 0 H ILE A 5 4.902 4.376 12.122 1.00 0.00 H new ATOM 0 HA ILE A 5 2.109 4.091 11.152 1.00 0.00 H new ATOM 0 HB ILE A 5 4.873 4.451 9.857 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.843 6.645 10.452 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.082 6.211 11.612 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.591 5.411 7.965 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.106 3.728 8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.070 5.070 8.825 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.854 8.073 10.161 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.851 6.622 9.897 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.592 7.063 8.719 1.00 0.00 H new ATOM 86 N ALA A 6 2.113 1.875 10.046 1.00 0.00 N ATOM 87 CA ALA A 6 2.112 0.468 9.554 1.00 0.00 C ATOM 88 C ALA A 6 2.235 0.434 8.029 1.00 0.00 C ATOM 89 O ALA A 6 1.394 0.948 7.318 1.00 0.00 O ATOM 90 CB ALA A 6 0.764 -0.099 9.985 1.00 0.00 C ATOM 0 H ALA A 6 1.217 2.358 9.985 1.00 0.00 H new ATOM 0 HA ALA A 6 2.949 -0.105 9.954 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.685 -1.136 9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.680 -0.052 11.071 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.038 0.486 9.534 1.00 0.00 H new ATOM 96 N ILE A 7 3.268 -0.178 7.522 1.00 0.00 N ATOM 97 CA ILE A 7 3.430 -0.255 6.044 1.00 0.00 C ATOM 98 C ILE A 7 3.662 -1.702 5.621 1.00 0.00 C ATOM 99 O ILE A 7 4.592 -2.346 6.065 1.00 0.00 O ATOM 100 CB ILE A 7 4.648 0.609 5.731 1.00 0.00 C ATOM 101 CG1 ILE A 7 4.371 2.038 6.195 1.00 0.00 C ATOM 102 CG2 ILE A 7 4.925 0.598 4.223 1.00 0.00 C ATOM 103 CD1 ILE A 7 5.636 2.873 6.041 1.00 0.00 C ATOM 0 H ILE A 7 4.005 -0.627 8.065 1.00 0.00 H new ATOM 0 HA ILE A 7 2.546 0.092 5.508 1.00 0.00 H new ATOM 0 HB ILE A 7 5.521 0.213 6.250 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.561 2.472 5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.046 2.038 7.235 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.796 1.217 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.117 -0.424 3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.059 0.993 3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.441 3.893 6.371 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.433 2.441 6.647 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.940 2.883 4.994 1.00 0.00 H new ATOM 115 N CYS A 8 2.829 -2.219 4.767 1.00 0.00 N ATOM 116 CA CYS A 8 3.009 -3.630 4.326 1.00 0.00 C ATOM 117 C CYS A 8 3.525 -3.668 2.890 1.00 0.00 C ATOM 118 O CYS A 8 2.825 -3.318 1.961 1.00 0.00 O ATOM 119 CB CYS A 8 1.616 -4.252 4.409 1.00 0.00 C ATOM 120 SG CYS A 8 1.774 -6.051 4.486 1.00 0.00 S ATOM 0 H CYS A 8 2.034 -1.730 4.355 1.00 0.00 H new ATOM 0 HA CYS A 8 3.732 -4.167 4.940 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.091 -3.883 5.290 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.023 -3.964 3.541 1.00 0.00 H new ATOM 0 HG CYS A 8 1.014 -6.513 5.434 1.00 0.00 H new ATOM 126 N ILE A 9 4.744 -4.085 2.693 1.00 0.00 N ATOM 127 CA ILE A 9 5.282 -4.135 1.305 1.00 0.00 C ATOM 128 C ILE A 9 5.215 -5.551 0.755 1.00 0.00 C ATOM 129 O ILE A 9 5.409 -6.522 1.460 1.00 0.00 O ATOM 130 CB ILE A 9 6.739 -3.684 1.408 1.00 0.00 C ATOM 131 CG1 ILE A 9 7.363 -3.650 -0.007 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.510 -4.639 2.326 1.00 0.00 C ATOM 133 CD1 ILE A 9 8.160 -4.927 -0.294 1.00 0.00 C ATOM 0 H ILE A 9 5.386 -4.391 3.425 1.00 0.00 H new ATOM 0 HA ILE A 9 4.705 -3.500 0.633 1.00 0.00 H new ATOM 0 HB ILE A 9 6.791 -2.683 1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.575 -3.535 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.017 -2.782 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.548 -4.316 2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.059 -4.634 3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.472 -5.648 1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.586 -4.873 -1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.963 -5.027 0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.499 -5.791 -0.227 1.00 0.00 H new ATOM 145 N TRP A 10 4.964 -5.672 -0.510 1.00 0.00 N ATOM 146 CA TRP A 10 4.913 -7.022 -1.122 1.00 0.00 C ATOM 147 C TRP A 10 5.961 -7.095 -2.221 1.00 0.00 C ATOM 148 O TRP A 10 5.877 -6.403 -3.215 1.00 0.00 O ATOM 149 CB TRP A 10 3.512 -7.178 -1.702 1.00 0.00 C ATOM 150 CG TRP A 10 3.497 -8.404 -2.553 1.00 0.00 C ATOM 151 CD1 TRP A 10 4.316 -9.466 -2.382 1.00 0.00 C ATOM 152 CD2 TRP A 10 2.656 -8.715 -3.698 1.00 0.00 C ATOM 153 NE1 TRP A 10 4.035 -10.409 -3.350 1.00 0.00 N ATOM 154 CE2 TRP A 10 3.015 -9.994 -4.186 1.00 0.00 C ATOM 155 CE3 TRP A 10 1.627 -8.019 -4.356 1.00 0.00 C ATOM 156 CZ2 TRP A 10 2.374 -10.563 -5.287 1.00 0.00 C ATOM 157 CZ3 TRP A 10 0.981 -8.588 -5.463 1.00 0.00 C ATOM 158 CH2 TRP A 10 1.353 -9.857 -5.929 1.00 0.00 C ATOM 0 H TRP A 10 4.792 -4.896 -1.149 1.00 0.00 H new ATOM 0 HA TRP A 10 5.117 -7.814 -0.402 1.00 0.00 H new ATOM 0 HB2 TRP A 10 2.776 -7.261 -0.902 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.244 -6.302 -2.292 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.068 -9.561 -1.613 1.00 0.00 H new ATOM 0 HE1 TRP A 10 4.520 -11.302 -3.438 1.00 0.00 H new ATOM 0 HE3 TRP A 10 1.332 -7.040 -4.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 2.665 -11.541 -5.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.191 -8.045 -5.960 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.851 -10.288 -6.783 1.00 0.00 H new ATOM 169 N VAL A 11 6.960 -7.904 -2.048 1.00 0.00 N ATOM 170 CA VAL A 11 8.012 -7.980 -3.086 1.00 0.00 C ATOM 171 C VAL A 11 8.813 -9.273 -2.948 1.00 0.00 C ATOM 172 O VAL A 11 9.413 -9.545 -1.926 1.00 0.00 O ATOM 173 CB VAL A 11 8.875 -6.749 -2.821 1.00 0.00 C ATOM 174 CG1 VAL A 11 9.693 -6.964 -1.555 1.00 0.00 C ATOM 175 CG2 VAL A 11 9.814 -6.506 -3.998 1.00 0.00 C ATOM 0 H VAL A 11 7.093 -8.511 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 11 7.614 -7.992 -4.101 1.00 0.00 H new ATOM 0 HB VAL A 11 8.228 -5.881 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.309 -6.085 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.022 -7.125 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.334 -7.836 -1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.426 -5.626 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.460 -7.374 -4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.229 -6.345 -4.903 1.00 0.00 H new ATOM 185 N GLU A 12 8.820 -10.067 -3.979 1.00 0.00 N ATOM 186 CA GLU A 12 9.569 -11.352 -3.946 1.00 0.00 C ATOM 187 C GLU A 12 11.077 -11.096 -4.032 1.00 0.00 C ATOM 188 O GLU A 12 11.878 -12.009 -3.965 1.00 0.00 O ATOM 189 CB GLU A 12 9.066 -12.109 -5.173 1.00 0.00 C ATOM 190 CG GLU A 12 7.753 -12.816 -4.832 1.00 0.00 C ATOM 191 CD GLU A 12 7.220 -13.539 -6.070 1.00 0.00 C ATOM 192 OE1 GLU A 12 7.605 -13.160 -7.164 1.00 0.00 O ATOM 193 OE2 GLU A 12 6.438 -14.458 -5.902 1.00 0.00 O ATOM 0 H GLU A 12 8.332 -9.878 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 12 9.411 -11.911 -3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.915 -11.419 -6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.811 -12.837 -5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.912 -13.529 -4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.020 -12.091 -4.478 1.00 0.00 H new ATOM 200 N SER A 13 11.471 -9.858 -4.167 1.00 0.00 N ATOM 201 CA SER A 13 12.928 -9.538 -4.242 1.00 0.00 C ATOM 202 C SER A 13 13.388 -8.957 -2.902 1.00 0.00 C ATOM 203 O SER A 13 12.827 -7.999 -2.411 1.00 0.00 O ATOM 204 CB SER A 13 13.052 -8.491 -5.351 1.00 0.00 C ATOM 205 OG SER A 13 14.409 -8.406 -5.768 1.00 0.00 O ATOM 0 H SER A 13 10.847 -9.053 -4.229 1.00 0.00 H new ATOM 0 HA SER A 13 13.541 -10.415 -4.449 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.417 -8.761 -6.195 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.709 -7.521 -4.991 1.00 0.00 H new ATOM 0 HG SER A 13 14.445 -8.152 -6.714 1.00 0.00 H new ATOM 211 N THR A 14 14.390 -9.533 -2.295 1.00 0.00 N ATOM 212 CA THR A 14 14.853 -9.007 -0.977 1.00 0.00 C ATOM 213 C THR A 14 15.478 -7.615 -1.130 1.00 0.00 C ATOM 214 O THR A 14 15.193 -6.719 -0.363 1.00 0.00 O ATOM 215 CB THR A 14 15.886 -10.015 -0.477 1.00 0.00 C ATOM 216 OG1 THR A 14 15.479 -11.324 -0.850 1.00 0.00 O ATOM 217 CG2 THR A 14 15.982 -9.928 1.045 1.00 0.00 C ATOM 0 H THR A 14 14.905 -10.339 -2.650 1.00 0.00 H new ATOM 0 HA THR A 14 14.026 -8.895 -0.276 1.00 0.00 H new ATOM 0 HB THR A 14 16.859 -9.794 -0.916 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.140 -11.975 -0.533 1.00 0.00 H new ATOM 0 HG21 THR A 14 16.719 -10.646 1.405 1.00 0.00 H new ATOM 0 HG22 THR A 14 16.286 -8.922 1.333 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.010 -10.154 1.484 1.00 0.00 H new ATOM 225 N ALA A 15 16.319 -7.412 -2.111 1.00 0.00 N ATOM 226 CA ALA A 15 16.929 -6.059 -2.276 1.00 0.00 C ATOM 227 C ALA A 15 15.821 -5.010 -2.293 1.00 0.00 C ATOM 228 O ALA A 15 15.833 -4.061 -1.535 1.00 0.00 O ATOM 229 CB ALA A 15 17.646 -6.089 -3.628 1.00 0.00 C ATOM 0 H ALA A 15 16.606 -8.112 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 15 17.617 -5.813 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.117 -5.123 -3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.408 -6.868 -3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.924 -6.297 -4.418 1.00 0.00 H new ATOM 235 N ILE A 16 14.853 -5.194 -3.143 1.00 0.00 N ATOM 236 CA ILE A 16 13.723 -4.233 -3.211 1.00 0.00 C ATOM 237 C ILE A 16 13.002 -4.232 -1.865 1.00 0.00 C ATOM 238 O ILE A 16 12.702 -3.195 -1.306 1.00 0.00 O ATOM 239 CB ILE A 16 12.837 -4.775 -4.331 1.00 0.00 C ATOM 240 CG1 ILE A 16 13.635 -4.769 -5.637 1.00 0.00 C ATOM 241 CG2 ILE A 16 11.597 -3.898 -4.488 1.00 0.00 C ATOM 242 CD1 ILE A 16 12.945 -5.662 -6.670 1.00 0.00 C ATOM 0 H ILE A 16 14.796 -5.974 -3.798 1.00 0.00 H new ATOM 0 HA ILE A 16 14.022 -3.204 -3.410 1.00 0.00 H new ATOM 0 HB ILE A 16 12.522 -5.790 -4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.717 -3.751 -6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 16 14.650 -5.124 -5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.971 -4.292 -5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.033 -3.895 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.900 -2.880 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.517 -5.654 -7.598 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.886 -6.681 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.939 -5.288 -6.861 1.00 0.00 H new ATOM 254 N LEU A 17 12.759 -5.394 -1.320 1.00 0.00 N ATOM 255 CA LEU A 17 12.098 -5.463 0.011 1.00 0.00 C ATOM 256 C LEU A 17 12.926 -4.659 1.002 1.00 0.00 C ATOM 257 O LEU A 17 12.412 -3.893 1.792 1.00 0.00 O ATOM 258 CB LEU A 17 12.113 -6.952 0.389 1.00 0.00 C ATOM 259 CG LEU A 17 12.005 -7.127 1.910 1.00 0.00 C ATOM 260 CD1 LEU A 17 13.393 -6.965 2.525 1.00 0.00 C ATOM 261 CD2 LEU A 17 11.051 -6.083 2.512 1.00 0.00 C ATOM 0 H LEU A 17 12.990 -6.295 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 17 11.084 -5.063 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.285 -7.465 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.032 -7.414 0.029 1.00 0.00 H new ATOM 0 HG LEU A 17 11.609 -8.119 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.328 -7.087 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.063 -7.720 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.779 -5.972 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.990 -6.226 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.426 -5.082 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.060 -6.200 2.074 1.00 0.00 H new ATOM 273 N GLN A 18 14.212 -4.834 0.953 1.00 0.00 N ATOM 274 CA GLN A 18 15.099 -4.086 1.883 1.00 0.00 C ATOM 275 C GLN A 18 15.184 -2.618 1.466 1.00 0.00 C ATOM 276 O GLN A 18 14.912 -1.729 2.245 1.00 0.00 O ATOM 277 CB GLN A 18 16.467 -4.749 1.760 1.00 0.00 C ATOM 278 CG GLN A 18 16.399 -6.170 2.319 1.00 0.00 C ATOM 279 CD GLN A 18 17.785 -6.587 2.811 1.00 0.00 C ATOM 280 OE1 GLN A 18 18.019 -6.667 4.001 1.00 0.00 O ATOM 281 NE2 GLN A 18 18.723 -6.855 1.943 1.00 0.00 N ATOM 0 H GLN A 18 14.690 -5.464 0.308 1.00 0.00 H new ATOM 0 HA GLN A 18 14.726 -4.110 2.907 1.00 0.00 H new ATOM 0 HB2 GLN A 18 16.779 -4.773 0.716 1.00 0.00 H new ATOM 0 HB3 GLN A 18 17.214 -4.169 2.302 1.00 0.00 H new ATOM 0 HG2 GLN A 18 15.681 -6.217 3.138 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.051 -6.859 1.550 1.00 0.00 H new ATOM 0 HE21 GLN A 18 18.528 -6.788 0.944 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.651 -7.131 2.264 1.00 0.00 H new ATOM 290 N ASP A 19 15.563 -2.354 0.246 1.00 0.00 N ATOM 291 CA ASP A 19 15.665 -0.938 -0.199 1.00 0.00 C ATOM 292 C ASP A 19 14.361 -0.196 0.106 1.00 0.00 C ATOM 293 O ASP A 19 14.372 0.919 0.586 1.00 0.00 O ATOM 294 CB ASP A 19 15.902 -1.006 -1.709 1.00 0.00 C ATOM 295 CG ASP A 19 17.233 -1.706 -1.988 1.00 0.00 C ATOM 296 OD1 ASP A 19 17.878 -2.112 -1.036 1.00 0.00 O ATOM 297 OD2 ASP A 19 17.586 -1.823 -3.150 1.00 0.00 O ATOM 0 H ASP A 19 15.805 -3.053 -0.457 1.00 0.00 H new ATOM 0 HA ASP A 19 16.465 -0.403 0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.087 -1.546 -2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.912 -0.001 -2.131 1.00 0.00 H new ATOM 302 N CYS A 20 13.236 -0.806 -0.159 1.00 0.00 N ATOM 303 CA CYS A 20 11.941 -0.125 0.130 1.00 0.00 C ATOM 304 C CYS A 20 11.798 0.114 1.635 1.00 0.00 C ATOM 305 O CYS A 20 11.405 1.178 2.073 1.00 0.00 O ATOM 306 CB CYS A 20 10.856 -1.093 -0.348 1.00 0.00 C ATOM 307 SG CYS A 20 10.729 -1.036 -2.152 1.00 0.00 S ATOM 0 H CYS A 20 13.158 -1.740 -0.561 1.00 0.00 H new ATOM 0 HA CYS A 20 11.872 0.843 -0.365 1.00 0.00 H new ATOM 0 HB2 CYS A 20 11.092 -2.106 -0.023 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.898 -0.830 0.101 1.00 0.00 H new ATOM 0 HG CYS A 20 11.591 -1.857 -2.674 1.00 0.00 H new ATOM 313 N GLN A 21 12.115 -0.873 2.430 1.00 0.00 N ATOM 314 CA GLN A 21 11.997 -0.710 3.906 1.00 0.00 C ATOM 315 C GLN A 21 13.163 0.121 4.436 1.00 0.00 C ATOM 316 O GLN A 21 13.018 0.888 5.368 1.00 0.00 O ATOM 317 CB GLN A 21 12.035 -2.128 4.469 1.00 0.00 C ATOM 318 CG GLN A 21 10.680 -2.800 4.235 1.00 0.00 C ATOM 319 CD GLN A 21 10.545 -4.004 5.164 1.00 0.00 C ATOM 320 OE1 GLN A 21 9.450 -4.379 5.537 1.00 0.00 O ATOM 321 NE2 GLN A 21 11.619 -4.627 5.557 1.00 0.00 N ATOM 0 H GLN A 21 12.451 -1.785 2.120 1.00 0.00 H new ATOM 0 HA GLN A 21 11.084 -0.190 4.195 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.827 -2.702 3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.262 -2.103 5.535 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.873 -2.091 4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.593 -3.117 3.196 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.536 -4.310 5.243 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.543 -5.432 6.179 1.00 0.00 H new ATOM 330 N ARG A 22 14.314 -0.011 3.838 1.00 0.00 N ATOM 331 CA ARG A 22 15.482 0.789 4.295 1.00 0.00 C ATOM 332 C ARG A 22 15.099 2.262 4.296 1.00 0.00 C ATOM 333 O ARG A 22 15.318 2.974 5.255 1.00 0.00 O ATOM 334 CB ARG A 22 16.575 0.507 3.268 1.00 0.00 C ATOM 335 CG ARG A 22 17.232 -0.839 3.585 1.00 0.00 C ATOM 336 CD ARG A 22 18.230 -1.199 2.483 1.00 0.00 C ATOM 337 NE ARG A 22 18.975 -2.379 3.010 1.00 0.00 N ATOM 338 CZ ARG A 22 20.163 -2.673 2.549 1.00 0.00 C ATOM 339 NH1 ARG A 22 20.693 -1.954 1.596 1.00 0.00 N ATOM 340 NH2 ARG A 22 20.819 -3.689 3.043 1.00 0.00 N ATOM 0 H ARG A 22 14.495 -0.638 3.054 1.00 0.00 H new ATOM 0 HA ARG A 22 15.812 0.537 5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.151 0.490 2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.321 1.302 3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.741 -0.788 4.547 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.471 -1.615 3.668 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.719 -1.439 1.550 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.904 -0.368 2.273 1.00 0.00 H new ATOM 0 HE ARG A 22 18.555 -2.961 3.735 1.00 0.00 H new ATOM 0 HH11 ARG A 22 20.180 -1.161 1.210 1.00 0.00 H new ATOM 0 HH12 ARG A 22 21.620 -2.185 1.238 1.00 0.00 H new ATOM 0 HH21 ARG A 22 20.404 -4.251 3.787 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.746 -3.920 2.685 1.00 0.00 H new ATOM 354 N ALA A 23 14.501 2.719 3.233 1.00 0.00 N ATOM 355 CA ALA A 23 14.068 4.140 3.189 1.00 0.00 C ATOM 356 C ALA A 23 13.037 4.371 4.299 1.00 0.00 C ATOM 357 O ALA A 23 13.093 5.348 5.020 1.00 0.00 O ATOM 358 CB ALA A 23 13.448 4.325 1.801 1.00 0.00 C ATOM 0 H ALA A 23 14.294 2.172 2.397 1.00 0.00 H new ATOM 0 HA ALA A 23 14.881 4.848 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.103 5.353 1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.195 4.109 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.604 3.645 1.686 1.00 0.00 H new ATOM 364 N LEU A 24 12.106 3.459 4.451 1.00 0.00 N ATOM 365 CA LEU A 24 11.074 3.595 5.521 1.00 0.00 C ATOM 366 C LEU A 24 11.615 3.037 6.840 1.00 0.00 C ATOM 367 O LEU A 24 11.043 2.141 7.428 1.00 0.00 O ATOM 368 CB LEU A 24 9.909 2.745 5.024 1.00 0.00 C ATOM 369 CG LEU A 24 9.514 3.221 3.631 1.00 0.00 C ATOM 370 CD1 LEU A 24 8.281 2.469 3.140 1.00 0.00 C ATOM 371 CD2 LEU A 24 9.186 4.698 3.702 1.00 0.00 C ATOM 0 H LEU A 24 12.019 2.622 3.875 1.00 0.00 H new ATOM 0 HA LEU A 24 10.787 4.630 5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.194 1.693 4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.063 2.829 5.706 1.00 0.00 H new ATOM 0 HG LEU A 24 10.339 3.038 2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.013 2.821 2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.497 1.401 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.451 2.646 3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.901 5.055 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.360 4.854 4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.060 5.249 4.049 1.00 0.00 H new ATOM 383 N SER A 25 12.722 3.552 7.300 1.00 0.00 N ATOM 384 CA SER A 25 13.316 3.039 8.571 1.00 0.00 C ATOM 385 C SER A 25 13.017 3.974 9.747 1.00 0.00 C ATOM 386 O SER A 25 13.391 3.690 10.867 1.00 0.00 O ATOM 387 CB SER A 25 14.822 2.980 8.312 1.00 0.00 C ATOM 388 OG SER A 25 15.283 4.264 7.912 1.00 0.00 O ATOM 0 H SER A 25 13.242 4.306 6.852 1.00 0.00 H new ATOM 0 HA SER A 25 12.900 2.068 8.839 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.345 2.658 9.213 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.040 2.245 7.537 1.00 0.00 H new ATOM 0 HG SER A 25 15.443 4.268 6.945 1.00 0.00 H new ATOM 394 N ALA A 26 12.360 5.084 9.502 1.00 0.00 N ATOM 395 CA ALA A 26 12.039 6.039 10.612 1.00 0.00 C ATOM 396 C ALA A 26 11.792 5.277 11.916 1.00 0.00 C ATOM 397 O ALA A 26 11.313 4.160 11.910 1.00 0.00 O ATOM 398 CB ALA A 26 10.761 6.759 10.164 1.00 0.00 C ATOM 0 H ALA A 26 12.032 5.370 8.580 1.00 0.00 H new ATOM 0 HA ALA A 26 12.856 6.736 10.801 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.462 7.477 10.927 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.948 7.282 9.226 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.964 6.030 10.020 1.00 0.00 H new ATOM 404 N ASP A 27 12.130 5.861 13.033 1.00 0.00 N ATOM 405 CA ASP A 27 11.925 5.157 14.332 1.00 0.00 C ATOM 406 C ASP A 27 10.444 4.823 14.550 1.00 0.00 C ATOM 407 O ASP A 27 10.099 4.087 15.453 1.00 0.00 O ATOM 408 CB ASP A 27 12.410 6.143 15.398 1.00 0.00 C ATOM 409 CG ASP A 27 13.939 6.208 15.380 1.00 0.00 C ATOM 410 OD1 ASP A 27 14.558 5.159 15.439 1.00 0.00 O ATOM 411 OD2 ASP A 27 14.465 7.308 15.312 1.00 0.00 O ATOM 0 H ASP A 27 12.538 6.793 13.103 1.00 0.00 H new ATOM 0 HA ASP A 27 12.464 4.210 14.366 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.992 7.132 15.210 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.061 5.831 16.382 1.00 0.00 H new ATOM 416 N ARG A 28 9.563 5.361 13.747 1.00 0.00 N ATOM 417 CA ARG A 28 8.113 5.069 13.947 1.00 0.00 C ATOM 418 C ARG A 28 7.539 4.234 12.794 1.00 0.00 C ATOM 419 O ARG A 28 6.350 4.256 12.550 1.00 0.00 O ATOM 420 CB ARG A 28 7.438 6.439 13.983 1.00 0.00 C ATOM 421 CG ARG A 28 7.615 7.124 12.629 1.00 0.00 C ATOM 422 CD ARG A 28 6.725 8.367 12.570 1.00 0.00 C ATOM 423 NE ARG A 28 7.399 9.284 11.607 1.00 0.00 N ATOM 424 CZ ARG A 28 7.157 10.569 11.640 1.00 0.00 C ATOM 425 NH1 ARG A 28 6.327 11.062 12.521 1.00 0.00 N ATOM 426 NH2 ARG A 28 7.743 11.363 10.785 1.00 0.00 N ATOM 0 H ARG A 28 9.782 5.984 12.969 1.00 0.00 H new ATOM 0 HA ARG A 28 7.949 4.490 14.856 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.378 6.329 14.212 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.873 7.051 14.773 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.659 7.403 12.483 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.353 6.437 11.824 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.719 8.115 12.236 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.628 8.829 13.552 1.00 0.00 H new ATOM 0 HE ARG A 28 8.052 8.908 10.919 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.864 10.444 13.187 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.142 12.065 12.542 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.388 10.981 10.093 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.556 12.365 10.809 1.00 0.00 H new ATOM 440 N TYR A 29 8.349 3.502 12.077 1.00 0.00 N ATOM 441 CA TYR A 29 7.791 2.696 10.956 1.00 0.00 C ATOM 442 C TYR A 29 7.600 1.235 11.359 1.00 0.00 C ATOM 443 O TYR A 29 8.459 0.624 11.964 1.00 0.00 O ATOM 444 CB TYR A 29 8.817 2.784 9.828 1.00 0.00 C ATOM 445 CG TYR A 29 8.489 3.931 8.898 1.00 0.00 C ATOM 446 CD1 TYR A 29 7.159 4.286 8.634 1.00 0.00 C ATOM 447 CD2 TYR A 29 9.526 4.642 8.298 1.00 0.00 C ATOM 448 CE1 TYR A 29 6.875 5.350 7.770 1.00 0.00 C ATOM 449 CE2 TYR A 29 9.244 5.705 7.435 1.00 0.00 C ATOM 450 CZ TYR A 29 7.919 6.062 7.171 1.00 0.00 C ATOM 451 OH TYR A 29 7.643 7.109 6.313 1.00 0.00 O ATOM 0 H TYR A 29 9.357 3.428 12.216 1.00 0.00 H new ATOM 0 HA TYR A 29 6.813 3.076 10.661 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.814 2.922 10.246 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.832 1.848 9.269 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.352 3.738 9.098 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.552 4.371 8.500 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.850 5.621 7.566 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.052 6.252 6.971 1.00 0.00 H new ATOM 0 HH TYR A 29 8.456 7.637 6.169 1.00 0.00 H new ATOM 461 N GLN A 30 6.491 0.664 10.985 1.00 0.00 N ATOM 462 CA GLN A 30 6.242 -0.774 11.290 1.00 0.00 C ATOM 463 C GLN A 30 6.019 -1.494 9.965 1.00 0.00 C ATOM 464 O GLN A 30 4.914 -1.584 9.471 1.00 0.00 O ATOM 465 CB GLN A 30 4.981 -0.808 12.156 1.00 0.00 C ATOM 466 CG GLN A 30 4.543 -2.260 12.359 1.00 0.00 C ATOM 467 CD GLN A 30 3.289 -2.306 13.235 1.00 0.00 C ATOM 468 OE1 GLN A 30 3.114 -3.217 14.020 1.00 0.00 O ATOM 469 NE2 GLN A 30 2.406 -1.355 13.135 1.00 0.00 N ATOM 0 H GLN A 30 5.741 1.133 10.478 1.00 0.00 H new ATOM 0 HA GLN A 30 7.068 -1.257 11.812 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.175 -0.337 13.120 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.183 -0.239 11.679 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.341 -2.727 11.395 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.346 -2.830 12.827 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.553 -0.590 12.476 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.567 -1.375 13.715 1.00 0.00 H new ATOM 478 N LEU A 31 7.074 -1.957 9.359 1.00 0.00 N ATOM 479 CA LEU A 31 6.940 -2.607 8.034 1.00 0.00 C ATOM 480 C LEU A 31 6.827 -4.126 8.129 1.00 0.00 C ATOM 481 O LEU A 31 7.587 -4.784 8.812 1.00 0.00 O ATOM 482 CB LEU A 31 8.224 -2.229 7.306 1.00 0.00 C ATOM 483 CG LEU A 31 8.438 -0.719 7.389 1.00 0.00 C ATOM 484 CD1 LEU A 31 9.896 -0.434 7.753 1.00 0.00 C ATOM 485 CD2 LEU A 31 8.117 -0.096 6.031 1.00 0.00 C ATOM 0 H LEU A 31 8.024 -1.912 9.727 1.00 0.00 H new ATOM 0 HA LEU A 31 6.031 -2.281 7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.072 -2.751 7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.167 -2.541 6.263 1.00 0.00 H new ATOM 0 HG LEU A 31 7.786 -0.292 8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.052 0.643 7.813 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.126 -0.888 8.717 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.550 -0.853 6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.267 0.982 6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.775 -0.519 5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.080 -0.306 5.770 1.00 0.00 H new ATOM 497 N GLN A 32 5.902 -4.680 7.397 1.00 0.00 N ATOM 498 CA GLN A 32 5.739 -6.155 7.370 1.00 0.00 C ATOM 499 C GLN A 32 6.100 -6.637 5.966 1.00 0.00 C ATOM 500 O GLN A 32 5.700 -6.047 4.982 1.00 0.00 O ATOM 501 CB GLN A 32 4.267 -6.415 7.673 1.00 0.00 C ATOM 502 CG GLN A 32 4.015 -7.924 7.665 1.00 0.00 C ATOM 503 CD GLN A 32 4.696 -8.561 8.880 1.00 0.00 C ATOM 504 OE1 GLN A 32 4.373 -8.243 10.008 1.00 0.00 O ATOM 505 NE2 GLN A 32 5.631 -9.452 8.697 1.00 0.00 N ATOM 0 H GLN A 32 5.245 -4.165 6.810 1.00 0.00 H new ATOM 0 HA GLN A 32 6.373 -6.675 8.089 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.002 -5.994 8.643 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.638 -5.924 6.931 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.944 -8.125 7.688 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.402 -8.363 6.746 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.903 -9.719 7.751 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.091 -9.881 9.500 1.00 0.00 H new ATOM 514 N VAL A 33 6.878 -7.671 5.855 1.00 0.00 N ATOM 515 CA VAL A 33 7.281 -8.136 4.497 1.00 0.00 C ATOM 516 C VAL A 33 6.530 -9.397 4.084 1.00 0.00 C ATOM 517 O VAL A 33 6.471 -10.371 4.808 1.00 0.00 O ATOM 518 CB VAL A 33 8.772 -8.420 4.616 1.00 0.00 C ATOM 519 CG1 VAL A 33 9.339 -8.717 3.229 1.00 0.00 C ATOM 520 CG2 VAL A 33 9.469 -7.193 5.212 1.00 0.00 C ATOM 0 H VAL A 33 7.251 -8.212 6.635 1.00 0.00 H new ATOM 0 HA VAL A 33 7.051 -7.391 3.735 1.00 0.00 H new ATOM 0 HB VAL A 33 8.938 -9.281 5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.407 -8.921 3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.834 -9.586 2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.182 -7.856 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.538 -7.389 5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.310 -6.333 4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.056 -6.983 6.199 1.00 0.00 H new ATOM 530 N CYS A 34 5.970 -9.391 2.907 1.00 0.00 N ATOM 531 CA CYS A 34 5.236 -10.597 2.430 1.00 0.00 C ATOM 532 C CYS A 34 5.900 -11.139 1.158 1.00 0.00 C ATOM 533 O CYS A 34 6.045 -10.441 0.175 1.00 0.00 O ATOM 534 CB CYS A 34 3.818 -10.111 2.137 1.00 0.00 C ATOM 535 SG CYS A 34 3.041 -9.569 3.680 1.00 0.00 S ATOM 0 H CYS A 34 5.988 -8.606 2.256 1.00 0.00 H new ATOM 0 HA CYS A 34 5.239 -11.405 3.162 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.843 -9.290 1.421 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.233 -10.911 1.683 1.00 0.00 H new ATOM 0 HG CYS A 34 1.985 -10.291 3.911 1.00 0.00 H new ATOM 541 N GLU A 35 6.314 -12.379 1.175 1.00 0.00 N ATOM 542 CA GLU A 35 6.977 -12.964 -0.027 1.00 0.00 C ATOM 543 C GLU A 35 5.937 -13.437 -1.046 1.00 0.00 C ATOM 544 O GLU A 35 6.274 -13.949 -2.096 1.00 0.00 O ATOM 545 CB GLU A 35 7.783 -14.150 0.504 1.00 0.00 C ATOM 546 CG GLU A 35 8.996 -13.644 1.290 1.00 0.00 C ATOM 547 CD GLU A 35 9.899 -14.826 1.647 1.00 0.00 C ATOM 548 OE1 GLU A 35 9.414 -15.946 1.618 1.00 0.00 O ATOM 549 OE2 GLU A 35 11.060 -14.595 1.942 1.00 0.00 O ATOM 0 H GLU A 35 6.221 -13.012 1.970 1.00 0.00 H new ATOM 0 HA GLU A 35 7.605 -12.235 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.156 -14.770 1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.111 -14.778 -0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.549 -12.916 0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.669 -13.135 2.197 1.00 0.00 H new ATOM 556 N SER A 36 4.679 -13.274 -0.748 1.00 0.00 N ATOM 557 CA SER A 36 3.624 -13.715 -1.705 1.00 0.00 C ATOM 558 C SER A 36 2.561 -12.622 -1.847 1.00 0.00 C ATOM 559 O SER A 36 2.660 -11.572 -1.244 1.00 0.00 O ATOM 560 CB SER A 36 3.032 -14.979 -1.082 1.00 0.00 C ATOM 561 OG SER A 36 4.090 -15.825 -0.646 1.00 0.00 O ATOM 0 H SER A 36 4.335 -12.855 0.116 1.00 0.00 H new ATOM 0 HA SER A 36 4.015 -13.906 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.389 -14.718 -0.241 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.410 -15.500 -1.809 1.00 0.00 H new ATOM 0 HG SER A 36 4.335 -15.594 0.274 1.00 0.00 H new ATOM 567 N GLY A 37 1.532 -12.864 -2.613 1.00 0.00 N ATOM 568 CA GLY A 37 0.463 -11.843 -2.759 1.00 0.00 C ATOM 569 C GLY A 37 -0.656 -12.252 -1.822 1.00 0.00 C ATOM 570 O GLY A 37 -1.404 -11.441 -1.313 1.00 0.00 O ATOM 0 H GLY A 37 1.388 -13.724 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.837 -10.851 -2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.109 -11.797 -3.789 1.00 0.00 H new ATOM 574 N GLU A 38 -0.738 -13.524 -1.574 1.00 0.00 N ATOM 575 CA GLU A 38 -1.756 -14.051 -0.650 1.00 0.00 C ATOM 576 C GLU A 38 -1.335 -13.720 0.776 1.00 0.00 C ATOM 577 O GLU A 38 -2.150 -13.487 1.646 1.00 0.00 O ATOM 578 CB GLU A 38 -1.718 -15.554 -0.900 1.00 0.00 C ATOM 579 CG GLU A 38 -2.359 -15.867 -2.254 1.00 0.00 C ATOM 580 CD GLU A 38 -2.509 -17.381 -2.409 1.00 0.00 C ATOM 581 OE1 GLU A 38 -1.617 -18.093 -1.977 1.00 0.00 O ATOM 582 OE2 GLU A 38 -3.514 -17.803 -2.956 1.00 0.00 O ATOM 0 H GLU A 38 -0.127 -14.230 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.754 -13.638 -0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.688 -15.909 -0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.249 -16.078 -0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.334 -15.385 -2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.744 -15.467 -3.061 1.00 0.00 H new ATOM 589 N MET A 39 -0.052 -13.680 1.003 1.00 0.00 N ATOM 590 CA MET A 39 0.460 -13.343 2.356 1.00 0.00 C ATOM 591 C MET A 39 0.176 -11.875 2.652 1.00 0.00 C ATOM 592 O MET A 39 -0.275 -11.517 3.723 1.00 0.00 O ATOM 593 CB MET A 39 1.960 -13.612 2.276 1.00 0.00 C ATOM 594 CG MET A 39 2.202 -15.108 2.455 1.00 0.00 C ATOM 595 SD MET A 39 3.971 -15.461 2.347 1.00 0.00 S ATOM 596 CE MET A 39 3.833 -17.257 2.508 1.00 0.00 C ATOM 0 H MET A 39 0.667 -13.868 0.304 1.00 0.00 H new ATOM 0 HA MET A 39 -0.008 -13.922 3.152 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.352 -13.279 1.315 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.486 -13.050 3.048 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.815 -15.435 3.420 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.663 -15.667 1.690 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.827 -17.703 2.468 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.363 -17.502 3.461 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.226 -17.650 1.692 1.00 0.00 H new ATOM 606 N LEU A 40 0.415 -11.024 1.696 1.00 0.00 N ATOM 607 CA LEU A 40 0.139 -9.579 1.896 1.00 0.00 C ATOM 608 C LEU A 40 -1.324 -9.407 2.302 1.00 0.00 C ATOM 609 O LEU A 40 -1.646 -8.697 3.236 1.00 0.00 O ATOM 610 CB LEU A 40 0.406 -8.952 0.524 1.00 0.00 C ATOM 611 CG LEU A 40 0.616 -7.446 0.661 1.00 0.00 C ATOM 612 CD1 LEU A 40 -0.475 -6.857 1.552 1.00 0.00 C ATOM 613 CD2 LEU A 40 1.986 -7.189 1.286 1.00 0.00 C ATOM 0 H LEU A 40 0.792 -11.270 0.781 1.00 0.00 H new ATOM 0 HA LEU A 40 0.747 -9.119 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.287 -9.409 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.433 -9.150 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 40 0.567 -6.976 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.324 -5.782 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.451 -7.048 1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.429 -7.320 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.144 -6.115 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.031 -7.657 2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.762 -7.611 0.648 1.00 0.00 H new ATOM 625 N LEU A 41 -2.214 -10.072 1.617 1.00 0.00 N ATOM 626 CA LEU A 41 -3.655 -9.963 1.967 1.00 0.00 C ATOM 627 C LEU A 41 -3.870 -10.407 3.410 1.00 0.00 C ATOM 628 O LEU A 41 -4.650 -9.829 4.138 1.00 0.00 O ATOM 629 CB LEU A 41 -4.367 -10.922 1.019 1.00 0.00 C ATOM 630 CG LEU A 41 -4.119 -10.499 -0.427 1.00 0.00 C ATOM 631 CD1 LEU A 41 -4.673 -11.570 -1.364 1.00 0.00 C ATOM 632 CD2 LEU A 41 -4.830 -9.175 -0.693 1.00 0.00 C ATOM 0 H LEU A 41 -2.003 -10.686 0.830 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.026 -8.942 1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.007 -11.939 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.437 -10.927 1.228 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.049 -10.379 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.499 -11.274 -2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.172 -12.518 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.744 -11.683 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.656 -8.869 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.900 -9.297 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.443 -8.412 -0.018 1.00 0.00 H new ATOM 644 N GLU A 42 -3.192 -11.439 3.825 1.00 0.00 N ATOM 645 CA GLU A 42 -3.366 -11.926 5.223 1.00 0.00 C ATOM 646 C GLU A 42 -3.055 -10.810 6.220 1.00 0.00 C ATOM 647 O GLU A 42 -3.747 -10.638 7.204 1.00 0.00 O ATOM 648 CB GLU A 42 -2.359 -13.064 5.390 1.00 0.00 C ATOM 649 CG GLU A 42 -2.573 -13.723 6.756 1.00 0.00 C ATOM 650 CD GLU A 42 -1.385 -14.625 7.086 1.00 0.00 C ATOM 651 OE1 GLU A 42 -1.175 -15.585 6.363 1.00 0.00 O ATOM 652 OE2 GLU A 42 -0.704 -14.341 8.058 1.00 0.00 O ATOM 0 H GLU A 42 -2.526 -11.966 3.260 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.389 -12.253 5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.485 -13.798 4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.342 -12.681 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.686 -12.959 7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.494 -14.307 6.749 1.00 0.00 H new ATOM 659 N TYR A 43 -2.022 -10.050 5.982 1.00 0.00 N ATOM 660 CA TYR A 43 -1.684 -8.953 6.931 1.00 0.00 C ATOM 661 C TYR A 43 -2.757 -7.865 6.881 1.00 0.00 C ATOM 662 O TYR A 43 -3.132 -7.301 7.889 1.00 0.00 O ATOM 663 CB TYR A 43 -0.342 -8.399 6.450 1.00 0.00 C ATOM 664 CG TYR A 43 -0.083 -7.078 7.129 1.00 0.00 C ATOM 665 CD1 TYR A 43 0.476 -7.046 8.410 1.00 0.00 C ATOM 666 CD2 TYR A 43 -0.404 -5.886 6.473 1.00 0.00 C ATOM 667 CE1 TYR A 43 0.715 -5.819 9.036 1.00 0.00 C ATOM 668 CE2 TYR A 43 -0.166 -4.659 7.097 1.00 0.00 C ATOM 669 CZ TYR A 43 0.394 -4.624 8.379 1.00 0.00 C ATOM 670 OH TYR A 43 0.630 -3.412 8.995 1.00 0.00 O ATOM 0 H TYR A 43 -1.401 -10.140 5.178 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.630 -9.306 7.961 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.459 -9.102 6.678 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.354 -8.270 5.368 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.723 -7.968 8.915 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.836 -5.914 5.484 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.147 -5.792 10.026 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.414 -3.738 6.590 1.00 0.00 H new ATOM 0 HH TYR A 43 1.251 -2.884 8.451 1.00 0.00 H new ATOM 680 N ALA A 44 -3.245 -7.563 5.711 1.00 0.00 N ATOM 681 CA ALA A 44 -4.284 -6.503 5.588 1.00 0.00 C ATOM 682 C ALA A 44 -5.685 -7.071 5.830 1.00 0.00 C ATOM 683 O ALA A 44 -6.561 -6.382 6.298 1.00 0.00 O ATOM 684 CB ALA A 44 -4.152 -5.984 4.156 1.00 0.00 C ATOM 0 H ALA A 44 -2.969 -8.004 4.834 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.145 -5.714 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.886 -5.197 3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.149 -5.584 4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.326 -6.801 3.455 1.00 0.00 H new ATOM 690 N GLN A 45 -5.911 -8.321 5.523 1.00 0.00 N ATOM 691 CA GLN A 45 -7.269 -8.909 5.742 1.00 0.00 C ATOM 692 C GLN A 45 -7.734 -8.689 7.177 1.00 0.00 C ATOM 693 O GLN A 45 -8.898 -8.840 7.491 1.00 0.00 O ATOM 694 CB GLN A 45 -7.106 -10.403 5.465 1.00 0.00 C ATOM 695 CG GLN A 45 -7.241 -10.637 3.969 1.00 0.00 C ATOM 696 CD GLN A 45 -6.729 -12.029 3.601 1.00 0.00 C ATOM 697 OE1 GLN A 45 -6.285 -12.774 4.450 1.00 0.00 O ATOM 698 NE2 GLN A 45 -6.770 -12.406 2.352 1.00 0.00 N ATOM 0 H GLN A 45 -5.218 -8.959 5.132 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.015 -8.446 5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.134 -10.749 5.816 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.861 -10.973 6.007 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.285 -10.536 3.671 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.679 -9.879 3.423 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.144 -11.777 1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.428 -13.330 2.087 1.00 0.00 H new ATOM 707 N THR A 46 -6.840 -8.357 8.054 1.00 0.00 N ATOM 708 CA THR A 46 -7.236 -8.157 9.471 1.00 0.00 C ATOM 709 C THR A 46 -6.815 -6.760 9.931 1.00 0.00 C ATOM 710 O THR A 46 -7.085 -6.348 11.041 1.00 0.00 O ATOM 711 CB THR A 46 -6.474 -9.255 10.214 1.00 0.00 C ATOM 712 OG1 THR A 46 -5.120 -8.859 10.385 1.00 0.00 O ATOM 713 CG2 THR A 46 -6.532 -10.550 9.384 1.00 0.00 C ATOM 0 H THR A 46 -5.850 -8.215 7.854 1.00 0.00 H new ATOM 0 HA THR A 46 -8.310 -8.219 9.644 1.00 0.00 H new ATOM 0 HB THR A 46 -6.925 -9.423 11.192 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.632 -9.562 10.863 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.991 -11.340 9.905 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.571 -10.849 9.249 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.074 -10.379 8.410 1.00 0.00 H new ATOM 721 N HIS A 47 -6.159 -6.034 9.070 1.00 0.00 N ATOM 722 CA HIS A 47 -5.711 -4.661 9.419 1.00 0.00 C ATOM 723 C HIS A 47 -5.871 -3.756 8.192 1.00 0.00 C ATOM 724 O HIS A 47 -5.057 -2.895 7.931 1.00 0.00 O ATOM 725 CB HIS A 47 -4.235 -4.829 9.794 1.00 0.00 C ATOM 726 CG HIS A 47 -4.132 -5.473 11.152 1.00 0.00 C ATOM 727 ND1 HIS A 47 -3.037 -6.236 11.533 1.00 0.00 N ATOM 728 CD2 HIS A 47 -4.982 -5.475 12.232 1.00 0.00 C ATOM 729 CE1 HIS A 47 -3.256 -6.661 12.792 1.00 0.00 C ATOM 730 NE2 HIS A 47 -4.428 -6.225 13.266 1.00 0.00 N ATOM 0 H HIS A 47 -5.912 -6.339 8.128 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.282 -4.207 10.229 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.727 -5.442 9.050 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.738 -3.859 9.801 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.936 -4.971 12.273 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.569 -7.279 13.351 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.829 -6.403 14.187 1.00 0.00 H new ATOM 738 N ARG A 48 -6.909 -3.973 7.425 1.00 0.00 N ATOM 739 CA ARG A 48 -7.115 -3.154 6.181 1.00 0.00 C ATOM 740 C ARG A 48 -6.957 -1.667 6.487 1.00 0.00 C ATOM 741 O ARG A 48 -6.153 -0.971 5.896 1.00 0.00 O ATOM 742 CB ARG A 48 -8.568 -3.384 5.712 1.00 0.00 C ATOM 743 CG ARG A 48 -9.097 -4.763 6.117 1.00 0.00 C ATOM 744 CD ARG A 48 -10.331 -5.096 5.273 1.00 0.00 C ATOM 745 NE ARG A 48 -10.881 -6.363 5.844 1.00 0.00 N ATOM 746 CZ ARG A 48 -12.157 -6.651 5.723 1.00 0.00 C ATOM 747 NH1 ARG A 48 -12.988 -5.796 5.184 1.00 0.00 N ATOM 748 NH2 ARG A 48 -12.605 -7.802 6.144 1.00 0.00 N ATOM 0 H ARG A 48 -7.624 -4.679 7.602 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.385 -3.446 5.426 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.211 -2.612 6.135 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.618 -3.282 4.628 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.326 -5.519 5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.353 -4.771 7.176 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.067 -4.293 5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.065 -5.222 4.223 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.261 -7.009 6.332 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.647 -4.894 4.852 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.976 -6.032 5.096 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.965 -8.475 6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.595 -8.029 6.051 1.00 0.00 H new ATOM 762 N ASP A 49 -7.741 -1.179 7.399 1.00 0.00 N ATOM 763 CA ASP A 49 -7.679 0.270 7.754 1.00 0.00 C ATOM 764 C ASP A 49 -6.538 0.543 8.736 1.00 0.00 C ATOM 765 O ASP A 49 -6.267 1.675 9.084 1.00 0.00 O ATOM 766 CB ASP A 49 -9.029 0.561 8.403 1.00 0.00 C ATOM 767 CG ASP A 49 -9.235 -0.389 9.583 1.00 0.00 C ATOM 768 OD1 ASP A 49 -9.618 -1.523 9.347 1.00 0.00 O ATOM 769 OD2 ASP A 49 -9.000 0.032 10.704 1.00 0.00 O ATOM 0 H ASP A 49 -8.429 -1.721 7.921 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.490 0.900 6.885 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.067 1.596 8.743 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.831 0.435 7.675 1.00 0.00 H new ATOM 774 N GLN A 50 -5.866 -0.480 9.183 1.00 0.00 N ATOM 775 CA GLN A 50 -4.742 -0.266 10.136 1.00 0.00 C ATOM 776 C GLN A 50 -3.422 -0.111 9.381 1.00 0.00 C ATOM 777 O GLN A 50 -2.392 0.156 9.965 1.00 0.00 O ATOM 778 CB GLN A 50 -4.723 -1.510 11.020 1.00 0.00 C ATOM 779 CG GLN A 50 -5.941 -1.487 11.947 1.00 0.00 C ATOM 780 CD GLN A 50 -5.941 -0.185 12.751 1.00 0.00 C ATOM 781 OE1 GLN A 50 -4.908 0.249 13.226 1.00 0.00 O ATOM 782 NE2 GLN A 50 -7.062 0.460 12.933 1.00 0.00 N ATOM 0 H GLN A 50 -6.045 -1.452 8.931 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.870 0.643 10.724 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.737 -2.409 10.404 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.805 -1.540 11.607 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.858 -1.567 11.363 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.916 -2.344 12.621 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.929 0.098 12.536 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.071 1.326 13.472 1.00 0.00 H new ATOM 791 N ILE A 51 -3.443 -0.263 8.084 1.00 0.00 N ATOM 792 CA ILE A 51 -2.181 -0.109 7.302 1.00 0.00 C ATOM 793 C ILE A 51 -1.976 1.366 6.938 1.00 0.00 C ATOM 794 O ILE A 51 -2.846 1.999 6.374 1.00 0.00 O ATOM 795 CB ILE A 51 -2.371 -0.950 6.033 1.00 0.00 C ATOM 796 CG1 ILE A 51 -2.733 -2.409 6.372 1.00 0.00 C ATOM 797 CG2 ILE A 51 -1.074 -0.932 5.225 1.00 0.00 C ATOM 798 CD1 ILE A 51 -2.213 -2.799 7.762 1.00 0.00 C ATOM 0 H ILE A 51 -4.273 -0.486 7.535 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.307 -0.434 7.867 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.191 -0.520 5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.815 -2.536 6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.309 -3.076 5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.200 -1.528 4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.830 0.095 4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.266 -1.350 5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.483 -3.833 7.974 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.128 -2.695 7.787 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.658 -2.146 8.513 1.00 0.00 H new ATOM 810 N ASP A 52 -0.837 1.923 7.261 1.00 0.00 N ATOM 811 CA ASP A 52 -0.591 3.360 6.939 1.00 0.00 C ATOM 812 C ASP A 52 0.021 3.515 5.544 1.00 0.00 C ATOM 813 O ASP A 52 0.038 4.598 4.995 1.00 0.00 O ATOM 814 CB ASP A 52 0.388 3.846 8.001 1.00 0.00 C ATOM 815 CG ASP A 52 -0.386 4.360 9.216 1.00 0.00 C ATOM 816 OD1 ASP A 52 -1.595 4.203 9.234 1.00 0.00 O ATOM 817 OD2 ASP A 52 0.245 4.908 10.105 1.00 0.00 O ATOM 0 H ASP A 52 -0.069 1.446 7.733 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.518 3.933 6.937 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.052 3.034 8.297 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.016 4.639 7.595 1.00 0.00 H new ATOM 822 N CYS A 53 0.536 2.457 4.969 1.00 0.00 N ATOM 823 CA CYS A 53 1.144 2.581 3.608 1.00 0.00 C ATOM 824 C CYS A 53 1.515 1.204 3.035 1.00 0.00 C ATOM 825 O CYS A 53 2.374 0.517 3.549 1.00 0.00 O ATOM 826 CB CYS A 53 2.400 3.423 3.821 1.00 0.00 C ATOM 827 SG CYS A 53 2.350 4.855 2.720 1.00 0.00 S ATOM 0 H CYS A 53 0.562 1.523 5.377 1.00 0.00 H new ATOM 0 HA CYS A 53 0.452 3.031 2.896 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.462 3.750 4.859 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.290 2.827 3.621 1.00 0.00 H new ATOM 0 HG CYS A 53 1.488 4.642 1.770 1.00 0.00 H new ATOM 833 N LEU A 54 0.885 0.793 1.963 1.00 0.00 N ATOM 834 CA LEU A 54 1.236 -0.536 1.372 1.00 0.00 C ATOM 835 C LEU A 54 2.178 -0.354 0.173 1.00 0.00 C ATOM 836 O LEU A 54 1.989 0.514 -0.651 1.00 0.00 O ATOM 837 CB LEU A 54 -0.096 -1.136 0.922 1.00 0.00 C ATOM 838 CG LEU A 54 0.040 -2.656 0.812 1.00 0.00 C ATOM 839 CD1 LEU A 54 -1.348 -3.293 0.854 1.00 0.00 C ATOM 840 CD2 LEU A 54 0.721 -3.020 -0.508 1.00 0.00 C ATOM 0 H LEU A 54 0.153 1.311 1.477 1.00 0.00 H new ATOM 0 HA LEU A 54 1.752 -1.179 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.881 -0.881 1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.390 -0.716 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 54 0.641 -3.024 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.254 -4.376 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.837 -3.038 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.945 -2.920 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.816 -4.103 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.122 -2.650 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.711 -2.566 -0.544 1.00 0.00 H new ATOM 852 N ILE A 55 3.192 -1.165 0.054 1.00 0.00 N ATOM 853 CA ILE A 55 4.115 -1.011 -1.110 1.00 0.00 C ATOM 854 C ILE A 55 3.851 -2.127 -2.114 1.00 0.00 C ATOM 855 O ILE A 55 3.588 -3.256 -1.746 1.00 0.00 O ATOM 856 CB ILE A 55 5.526 -1.131 -0.546 1.00 0.00 C ATOM 857 CG1 ILE A 55 5.759 -0.045 0.502 1.00 0.00 C ATOM 858 CG2 ILE A 55 6.540 -0.967 -1.682 1.00 0.00 C ATOM 859 CD1 ILE A 55 6.996 -0.404 1.322 1.00 0.00 C ATOM 0 H ILE A 55 3.422 -1.919 0.702 1.00 0.00 H new ATOM 0 HA ILE A 55 3.975 -0.059 -1.621 1.00 0.00 H new ATOM 0 HB ILE A 55 5.647 -2.110 -0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.895 0.922 0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.889 0.044 1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.551 -1.052 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.378 -1.744 -2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.414 0.012 -2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.171 0.366 2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.840 -1.363 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.862 -0.471 0.664 1.00 0.00 H new ATOM 871 N LEU A 56 3.906 -1.833 -3.379 1.00 0.00 N ATOM 872 CA LEU A 56 3.643 -2.896 -4.379 1.00 0.00 C ATOM 873 C LEU A 56 4.592 -2.783 -5.563 1.00 0.00 C ATOM 874 O LEU A 56 5.090 -1.723 -5.885 1.00 0.00 O ATOM 875 CB LEU A 56 2.201 -2.671 -4.814 1.00 0.00 C ATOM 876 CG LEU A 56 1.277 -3.082 -3.671 1.00 0.00 C ATOM 877 CD1 LEU A 56 -0.169 -2.786 -4.052 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.441 -4.578 -3.403 1.00 0.00 C ATOM 0 H LEU A 56 4.120 -0.912 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 56 3.798 -3.893 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.042 -1.624 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.980 -3.255 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 56 1.534 -2.520 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.828 -3.080 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.283 -1.719 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.431 -3.347 -4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.783 -4.876 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.182 -5.139 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.475 -4.787 -3.130 1.00 0.00 H new ATOM 890 N VAL A 57 4.834 -3.882 -6.217 1.00 0.00 N ATOM 891 CA VAL A 57 5.743 -3.868 -7.394 1.00 0.00 C ATOM 892 C VAL A 57 4.948 -4.199 -8.654 1.00 0.00 C ATOM 893 O VAL A 57 4.376 -5.264 -8.772 1.00 0.00 O ATOM 894 CB VAL A 57 6.770 -4.968 -7.127 1.00 0.00 C ATOM 895 CG1 VAL A 57 7.879 -4.897 -8.181 1.00 0.00 C ATOM 896 CG2 VAL A 57 7.374 -4.788 -5.731 1.00 0.00 C ATOM 0 H VAL A 57 4.439 -4.794 -5.986 1.00 0.00 H new ATOM 0 HA VAL A 57 6.216 -2.896 -7.538 1.00 0.00 H new ATOM 0 HB VAL A 57 6.279 -5.940 -7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.612 -5.681 -7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.448 -5.035 -9.173 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.367 -3.924 -8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.105 -5.575 -5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.864 -3.816 -5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.584 -4.845 -4.983 1.00 0.00 H new ATOM 906 N ALA A 58 4.905 -3.310 -9.601 1.00 0.00 N ATOM 907 CA ALA A 58 4.142 -3.606 -10.842 1.00 0.00 C ATOM 908 C ALA A 58 4.942 -4.556 -11.735 1.00 0.00 C ATOM 909 O ALA A 58 4.505 -4.934 -12.804 1.00 0.00 O ATOM 910 CB ALA A 58 3.952 -2.259 -11.521 1.00 0.00 C ATOM 0 H ALA A 58 5.361 -2.398 -9.572 1.00 0.00 H new ATOM 0 HA ALA A 58 3.188 -4.092 -10.637 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.395 -2.394 -12.448 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.399 -1.593 -10.859 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.926 -1.823 -11.743 1.00 0.00 H new ATOM 916 N ALA A 59 6.107 -4.949 -11.302 1.00 0.00 N ATOM 917 CA ALA A 59 6.925 -5.882 -12.123 1.00 0.00 C ATOM 918 C ALA A 59 6.408 -7.311 -11.946 1.00 0.00 C ATOM 919 O ALA A 59 6.796 -8.218 -12.655 1.00 0.00 O ATOM 920 CB ALA A 59 8.346 -5.752 -11.580 1.00 0.00 C ATOM 0 H ALA A 59 6.527 -4.665 -10.417 1.00 0.00 H new ATOM 0 HA ALA A 59 6.880 -5.651 -13.187 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.010 -6.412 -12.137 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.684 -4.721 -11.689 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.359 -6.029 -10.526 1.00 0.00 H new ATOM 926 N ASN A 60 5.527 -7.514 -11.003 1.00 0.00 N ATOM 927 CA ASN A 60 4.975 -8.879 -10.775 1.00 0.00 C ATOM 928 C ASN A 60 3.898 -9.196 -11.820 1.00 0.00 C ATOM 929 O ASN A 60 3.307 -8.304 -12.396 1.00 0.00 O ATOM 930 CB ASN A 60 4.376 -8.826 -9.371 1.00 0.00 C ATOM 931 CG ASN A 60 5.438 -9.233 -8.347 1.00 0.00 C ATOM 932 OD1 ASN A 60 5.849 -8.433 -7.531 1.00 0.00 O ATOM 933 ND2 ASN A 60 5.899 -10.455 -8.351 1.00 0.00 N ATOM 0 H ASN A 60 5.166 -6.791 -10.380 1.00 0.00 H new ATOM 0 HA ASN A 60 5.732 -9.658 -10.864 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.015 -7.820 -9.156 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.517 -9.494 -9.305 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.603 -10.737 -7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.555 -11.128 -9.036 1.00 0.00 H new ATOM 940 N PRO A 61 3.699 -10.466 -12.042 1.00 0.00 N ATOM 941 CA PRO A 61 2.702 -10.929 -13.042 1.00 0.00 C ATOM 942 C PRO A 61 1.272 -10.858 -12.492 1.00 0.00 C ATOM 943 O PRO A 61 0.411 -10.215 -13.056 1.00 0.00 O ATOM 944 CB PRO A 61 3.101 -12.379 -13.290 1.00 0.00 C ATOM 945 CG PRO A 61 3.810 -12.814 -12.045 1.00 0.00 C ATOM 946 CD PRO A 61 4.386 -11.584 -11.389 1.00 0.00 C ATOM 0 HA PRO A 61 2.702 -10.314 -13.942 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.226 -13.000 -13.481 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.750 -12.465 -14.162 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.120 -13.320 -11.369 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.601 -13.525 -12.284 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.207 -11.587 -10.314 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.465 -11.526 -11.533 1.00 0.00 H new ATOM 954 N SER A 62 1.011 -11.534 -11.408 1.00 0.00 N ATOM 955 CA SER A 62 -0.369 -11.527 -10.834 1.00 0.00 C ATOM 956 C SER A 62 -0.564 -10.347 -9.882 1.00 0.00 C ATOM 957 O SER A 62 -1.615 -10.178 -9.301 1.00 0.00 O ATOM 958 CB SER A 62 -0.487 -12.843 -10.070 1.00 0.00 C ATOM 959 OG SER A 62 0.727 -13.088 -9.373 1.00 0.00 O ATOM 0 H SER A 62 1.692 -12.092 -10.893 1.00 0.00 H new ATOM 0 HA SER A 62 -1.125 -11.427 -11.612 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.320 -12.797 -9.369 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.696 -13.661 -10.760 1.00 0.00 H new ATOM 0 HG SER A 62 0.656 -13.931 -8.879 1.00 0.00 H new ATOM 965 N PHE A 63 0.434 -9.527 -9.719 1.00 0.00 N ATOM 966 CA PHE A 63 0.290 -8.363 -8.801 1.00 0.00 C ATOM 967 C PHE A 63 -1.053 -7.666 -9.055 1.00 0.00 C ATOM 968 O PHE A 63 -1.822 -7.437 -8.145 1.00 0.00 O ATOM 969 CB PHE A 63 1.470 -7.461 -9.159 1.00 0.00 C ATOM 970 CG PHE A 63 1.161 -6.020 -8.829 1.00 0.00 C ATOM 971 CD1 PHE A 63 0.817 -5.654 -7.522 1.00 0.00 C ATOM 972 CD2 PHE A 63 1.223 -5.046 -9.834 1.00 0.00 C ATOM 973 CE1 PHE A 63 0.534 -4.317 -7.221 1.00 0.00 C ATOM 974 CE2 PHE A 63 0.942 -3.710 -9.533 1.00 0.00 C ATOM 975 CZ PHE A 63 0.598 -3.344 -8.227 1.00 0.00 C ATOM 0 H PHE A 63 1.340 -9.611 -10.179 1.00 0.00 H new ATOM 0 HA PHE A 63 0.297 -8.636 -7.746 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.358 -7.782 -8.614 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.697 -7.555 -10.221 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.770 -6.404 -6.746 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.488 -5.328 -10.842 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.266 -4.035 -6.213 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.990 -2.960 -10.309 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.382 -2.312 -7.995 1.00 0.00 H new ATOM 985 N ARG A 64 -1.352 -7.350 -10.283 1.00 0.00 N ATOM 986 CA ARG A 64 -2.654 -6.690 -10.577 1.00 0.00 C ATOM 987 C ARG A 64 -3.768 -7.461 -9.876 1.00 0.00 C ATOM 988 O ARG A 64 -4.598 -6.903 -9.187 1.00 0.00 O ATOM 989 CB ARG A 64 -2.835 -6.808 -12.095 1.00 0.00 C ATOM 990 CG ARG A 64 -1.673 -6.141 -12.836 1.00 0.00 C ATOM 991 CD ARG A 64 -1.613 -4.661 -12.470 1.00 0.00 C ATOM 992 NE ARG A 64 -1.079 -3.984 -13.687 1.00 0.00 N ATOM 993 CZ ARG A 64 0.174 -4.134 -14.028 1.00 0.00 C ATOM 994 NH1 ARG A 64 0.963 -4.884 -13.312 1.00 0.00 N ATOM 995 NH2 ARG A 64 0.637 -3.537 -15.092 1.00 0.00 N ATOM 0 H ARG A 64 -0.755 -7.519 -11.092 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.680 -5.654 -10.240 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.897 -7.859 -12.378 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.775 -6.343 -12.391 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.734 -6.629 -12.574 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.802 -6.255 -13.912 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.599 -4.279 -12.207 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.966 -4.493 -11.609 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.694 -3.402 -14.255 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.603 -5.356 -12.483 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.940 -4.999 -13.581 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.021 -2.953 -15.658 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.615 -3.654 -15.358 1.00 0.00 H new ATOM 1009 N ALA A 65 -3.779 -8.750 -10.053 1.00 0.00 N ATOM 1010 CA ALA A 65 -4.824 -9.595 -9.407 1.00 0.00 C ATOM 1011 C ALA A 65 -4.760 -9.442 -7.890 1.00 0.00 C ATOM 1012 O ALA A 65 -5.757 -9.265 -7.229 1.00 0.00 O ATOM 1013 CB ALA A 65 -4.472 -11.030 -9.809 1.00 0.00 C ATOM 0 H ALA A 65 -3.104 -9.261 -10.622 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.831 -9.315 -9.716 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.196 -11.718 -9.372 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.495 -11.120 -10.895 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.474 -11.275 -9.446 1.00 0.00 H new ATOM 1019 N VAL A 66 -3.593 -9.513 -7.329 1.00 0.00 N ATOM 1020 CA VAL A 66 -3.476 -9.377 -5.855 1.00 0.00 C ATOM 1021 C VAL A 66 -4.053 -8.036 -5.392 1.00 0.00 C ATOM 1022 O VAL A 66 -4.607 -7.934 -4.315 1.00 0.00 O ATOM 1023 CB VAL A 66 -1.978 -9.447 -5.584 1.00 0.00 C ATOM 1024 CG1 VAL A 66 -1.702 -9.167 -4.104 1.00 0.00 C ATOM 1025 CG2 VAL A 66 -1.474 -10.845 -5.941 1.00 0.00 C ATOM 0 H VAL A 66 -2.714 -9.659 -7.825 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.028 -10.149 -5.319 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.463 -8.700 -6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.629 -9.219 -3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.067 -8.173 -3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.213 -9.910 -3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.402 -10.905 -5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.993 -11.585 -5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.667 -11.043 -6.995 1.00 0.00 H new ATOM 1035 N VAL A 67 -3.930 -7.002 -6.184 1.00 0.00 N ATOM 1036 CA VAL A 67 -4.478 -5.684 -5.753 1.00 0.00 C ATOM 1037 C VAL A 67 -6.008 -5.729 -5.729 1.00 0.00 C ATOM 1038 O VAL A 67 -6.629 -5.298 -4.776 1.00 0.00 O ATOM 1039 CB VAL A 67 -3.976 -4.678 -6.782 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -4.449 -3.274 -6.394 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -2.446 -4.711 -6.811 1.00 0.00 C ATOM 0 H VAL A 67 -3.479 -7.013 -7.099 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.157 -5.415 -4.747 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.367 -4.933 -7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.091 -2.553 -7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.538 -3.252 -6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.055 -3.016 -5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.080 -3.993 -7.545 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.058 -4.452 -5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.109 -5.711 -7.082 1.00 0.00 H new ATOM 1051 N GLN A 68 -6.630 -6.255 -6.751 1.00 0.00 N ATOM 1052 CA GLN A 68 -8.114 -6.315 -6.727 1.00 0.00 C ATOM 1053 C GLN A 68 -8.546 -7.126 -5.504 1.00 0.00 C ATOM 1054 O GLN A 68 -9.587 -6.885 -4.929 1.00 0.00 O ATOM 1055 CB GLN A 68 -8.542 -6.995 -8.035 1.00 0.00 C ATOM 1056 CG GLN A 68 -7.996 -8.419 -8.086 1.00 0.00 C ATOM 1057 CD GLN A 68 -9.056 -9.359 -8.658 1.00 0.00 C ATOM 1058 OE1 GLN A 68 -9.858 -9.904 -7.925 1.00 0.00 O ATOM 1059 NE2 GLN A 68 -9.093 -9.582 -9.943 1.00 0.00 N ATOM 0 H GLN A 68 -6.183 -6.638 -7.584 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.576 -5.330 -6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.629 -7.011 -8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.174 -6.425 -8.888 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.097 -8.452 -8.702 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.709 -8.745 -7.086 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.421 -9.125 -10.559 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.794 -10.213 -10.331 1.00 0.00 H new ATOM 1068 N GLN A 69 -7.740 -8.066 -5.076 1.00 0.00 N ATOM 1069 CA GLN A 69 -8.111 -8.848 -3.869 1.00 0.00 C ATOM 1070 C GLN A 69 -8.147 -7.899 -2.677 1.00 0.00 C ATOM 1071 O GLN A 69 -9.074 -7.905 -1.890 1.00 0.00 O ATOM 1072 CB GLN A 69 -7.018 -9.907 -3.703 1.00 0.00 C ATOM 1073 CG GLN A 69 -7.445 -10.905 -2.624 1.00 0.00 C ATOM 1074 CD GLN A 69 -8.774 -11.553 -3.025 1.00 0.00 C ATOM 1075 OE1 GLN A 69 -8.858 -12.210 -4.042 1.00 0.00 O ATOM 1076 NE2 GLN A 69 -9.824 -11.389 -2.266 1.00 0.00 N ATOM 0 H GLN A 69 -6.852 -8.320 -5.508 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.088 -9.324 -3.950 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.849 -10.424 -4.648 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.076 -9.434 -3.426 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.679 -11.670 -2.497 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.550 -10.397 -1.665 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.754 -10.837 -1.411 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.714 -11.813 -2.528 1.00 0.00 H new ATOM 1085 N LEU A 70 -7.159 -7.049 -2.562 1.00 0.00 N ATOM 1086 CA LEU A 70 -7.163 -6.070 -1.446 1.00 0.00 C ATOM 1087 C LEU A 70 -8.456 -5.260 -1.537 1.00 0.00 C ATOM 1088 O LEU A 70 -9.257 -5.236 -0.623 1.00 0.00 O ATOM 1089 CB LEU A 70 -5.936 -5.183 -1.689 1.00 0.00 C ATOM 1090 CG LEU A 70 -4.719 -5.791 -0.986 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -3.476 -5.632 -1.868 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -4.491 -5.070 0.344 1.00 0.00 C ATOM 0 H LEU A 70 -6.357 -6.994 -3.190 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.119 -6.528 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.745 -5.094 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.121 -4.177 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.899 -6.851 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.613 -6.066 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.636 -6.143 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.294 -4.573 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.625 -5.500 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.313 -4.011 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.372 -5.185 0.976 1.00 0.00 H new ATOM 1104 N CYS A 71 -8.679 -4.625 -2.657 1.00 0.00 N ATOM 1105 CA CYS A 71 -9.936 -3.848 -2.840 1.00 0.00 C ATOM 1106 C CYS A 71 -11.140 -4.784 -2.705 1.00 0.00 C ATOM 1107 O CYS A 71 -12.170 -4.421 -2.172 1.00 0.00 O ATOM 1108 CB CYS A 71 -9.855 -3.296 -4.262 1.00 0.00 C ATOM 1109 SG CYS A 71 -8.510 -2.094 -4.370 1.00 0.00 S ATOM 0 H CYS A 71 -8.042 -4.612 -3.454 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.050 -3.055 -2.101 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.688 -4.108 -4.969 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.800 -2.825 -4.535 1.00 0.00 H new ATOM 0 HG CYS A 71 -8.441 -1.627 -5.581 1.00 0.00 H new ATOM 1115 N PHE A 72 -11.008 -5.989 -3.188 1.00 0.00 N ATOM 1116 CA PHE A 72 -12.129 -6.964 -3.096 1.00 0.00 C ATOM 1117 C PHE A 72 -12.555 -7.125 -1.640 1.00 0.00 C ATOM 1118 O PHE A 72 -13.723 -7.237 -1.328 1.00 0.00 O ATOM 1119 CB PHE A 72 -11.553 -8.273 -3.637 1.00 0.00 C ATOM 1120 CG PHE A 72 -12.615 -9.338 -3.617 1.00 0.00 C ATOM 1121 CD1 PHE A 72 -13.600 -9.356 -4.608 1.00 0.00 C ATOM 1122 CD2 PHE A 72 -12.612 -10.308 -2.609 1.00 0.00 C ATOM 1123 CE1 PHE A 72 -14.588 -10.346 -4.592 1.00 0.00 C ATOM 1124 CE2 PHE A 72 -13.601 -11.300 -2.590 1.00 0.00 C ATOM 1125 CZ PHE A 72 -14.589 -11.319 -3.582 1.00 0.00 C ATOM 0 H PHE A 72 -10.167 -6.341 -3.645 1.00 0.00 H new ATOM 0 HA PHE A 72 -13.010 -6.646 -3.654 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.188 -8.129 -4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -10.700 -8.584 -3.033 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -13.598 -8.606 -5.385 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -11.848 -10.292 -1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -15.350 -10.361 -5.357 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -13.601 -12.049 -1.812 1.00 0.00 H new ATOM 0 HZ PHE A 72 -15.352 -12.083 -3.569 1.00 0.00 H new ATOM 1135 N GLU A 73 -11.609 -7.135 -0.748 1.00 0.00 N ATOM 1136 CA GLU A 73 -11.941 -7.286 0.696 1.00 0.00 C ATOM 1137 C GLU A 73 -12.193 -5.912 1.317 1.00 0.00 C ATOM 1138 O GLU A 73 -12.389 -5.784 2.509 1.00 0.00 O ATOM 1139 CB GLU A 73 -10.703 -7.918 1.330 1.00 0.00 C ATOM 1140 CG GLU A 73 -10.233 -9.114 0.497 1.00 0.00 C ATOM 1141 CD GLU A 73 -10.915 -10.386 1.002 1.00 0.00 C ATOM 1142 OE1 GLU A 73 -12.030 -10.286 1.485 1.00 0.00 O ATOM 1143 OE2 GLU A 73 -10.309 -11.440 0.897 1.00 0.00 O ATOM 0 H GLU A 73 -10.614 -7.045 -0.956 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.835 -7.890 0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.905 -7.179 1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.930 -8.240 2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.471 -8.954 -0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.150 -9.217 0.567 1.00 0.00 H new ATOM 1150 N GLY A 74 -12.172 -4.879 0.519 1.00 0.00 N ATOM 1151 CA GLY A 74 -12.391 -3.517 1.065 1.00 0.00 C ATOM 1152 C GLY A 74 -11.100 -3.033 1.722 1.00 0.00 C ATOM 1153 O GLY A 74 -11.118 -2.231 2.635 1.00 0.00 O ATOM 0 H GLY A 74 -12.012 -4.923 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.687 -2.835 0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.203 -3.529 1.792 1.00 0.00 H new ATOM 1157 N VAL A 75 -9.972 -3.513 1.264 1.00 0.00 N ATOM 1158 CA VAL A 75 -8.686 -3.070 1.865 1.00 0.00 C ATOM 1159 C VAL A 75 -8.071 -1.964 1.016 1.00 0.00 C ATOM 1160 O VAL A 75 -7.293 -2.218 0.118 1.00 0.00 O ATOM 1161 CB VAL A 75 -7.775 -4.296 1.848 1.00 0.00 C ATOM 1162 CG1 VAL A 75 -6.497 -3.967 2.617 1.00 0.00 C ATOM 1163 CG2 VAL A 75 -8.479 -5.481 2.508 1.00 0.00 C ATOM 0 H VAL A 75 -9.889 -4.188 0.504 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.826 -2.681 2.874 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.535 -4.560 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.837 -4.834 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.993 -3.125 2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.748 -3.707 3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.822 -6.350 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.723 -5.230 3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.396 -5.709 1.964 1.00 0.00 H new ATOM 1173 N VAL A 76 -8.402 -0.742 1.288 1.00 0.00 N ATOM 1174 CA VAL A 76 -7.817 0.362 0.490 1.00 0.00 C ATOM 1175 C VAL A 76 -6.843 1.152 1.361 1.00 0.00 C ATOM 1176 O VAL A 76 -7.180 1.592 2.443 1.00 0.00 O ATOM 1177 CB VAL A 76 -9.002 1.225 0.067 1.00 0.00 C ATOM 1178 CG1 VAL A 76 -8.576 2.121 -1.094 1.00 0.00 C ATOM 1179 CG2 VAL A 76 -10.161 0.329 -0.383 1.00 0.00 C ATOM 0 H VAL A 76 -9.049 -0.458 2.024 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.260 0.009 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.327 1.836 0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.417 2.741 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.751 2.760 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.255 1.502 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.005 0.950 -0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.841 -0.283 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.462 -0.318 0.441 1.00 0.00 H new ATOM 1189 N VAL A 77 -5.633 1.315 0.908 1.00 0.00 N ATOM 1190 CA VAL A 77 -4.630 2.056 1.721 1.00 0.00 C ATOM 1191 C VAL A 77 -3.705 2.883 0.831 1.00 0.00 C ATOM 1192 O VAL A 77 -3.614 2.651 -0.354 1.00 0.00 O ATOM 1193 CB VAL A 77 -3.822 0.964 2.416 1.00 0.00 C ATOM 1194 CG1 VAL A 77 -4.652 0.349 3.536 1.00 0.00 C ATOM 1195 CG2 VAL A 77 -3.451 -0.123 1.399 1.00 0.00 C ATOM 0 H VAL A 77 -5.295 0.968 0.011 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.106 2.749 2.415 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.913 1.397 2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.074 -0.431 4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.915 1.121 4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.562 -0.083 3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.874 -0.903 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.360 -0.555 0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.855 0.316 0.599 1.00 0.00 H new ATOM 1205 N PRO A 78 -3.013 3.798 1.453 1.00 0.00 N ATOM 1206 CA PRO A 78 -2.034 4.654 0.728 1.00 0.00 C ATOM 1207 C PRO A 78 -0.907 3.755 0.222 1.00 0.00 C ATOM 1208 O PRO A 78 0.095 3.557 0.881 1.00 0.00 O ATOM 1209 CB PRO A 78 -1.545 5.624 1.805 1.00 0.00 C ATOM 1210 CG PRO A 78 -1.800 4.907 3.090 1.00 0.00 C ATOM 1211 CD PRO A 78 -3.058 4.114 2.881 1.00 0.00 C ATOM 0 HA PRO A 78 -2.435 5.185 -0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.487 5.855 1.682 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.085 6.570 1.763 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.965 4.254 3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.916 5.612 3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.074 3.213 3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.946 4.690 3.139 1.00 0.00 H new ATOM 1219 N ALA A 79 -1.099 3.158 -0.917 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.088 2.208 -1.443 1.00 0.00 C ATOM 1221 C ALA A 79 0.892 2.855 -2.434 1.00 0.00 C ATOM 1222 O ALA A 79 0.504 3.543 -3.357 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.934 1.147 -2.146 1.00 0.00 C ATOM 0 H ALA A 79 -1.919 3.289 -1.510 1.00 0.00 H new ATOM 0 HA ALA A 79 0.546 1.818 -0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.281 0.387 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.607 0.682 -1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.518 1.614 -2.939 1.00 0.00 H new ATOM 1229 N ILE A 80 2.167 2.592 -2.264 1.00 0.00 N ATOM 1230 CA ILE A 80 3.192 3.134 -3.203 1.00 0.00 C ATOM 1231 C ILE A 80 3.555 2.029 -4.207 1.00 0.00 C ATOM 1232 O ILE A 80 3.781 0.895 -3.831 1.00 0.00 O ATOM 1233 CB ILE A 80 4.390 3.492 -2.316 1.00 0.00 C ATOM 1234 CG1 ILE A 80 3.939 4.462 -1.215 1.00 0.00 C ATOM 1235 CG2 ILE A 80 5.469 4.158 -3.167 1.00 0.00 C ATOM 1236 CD1 ILE A 80 4.963 4.456 -0.076 1.00 0.00 C ATOM 0 H ILE A 80 2.541 2.020 -1.507 1.00 0.00 H new ATOM 0 HA ILE A 80 2.854 4.002 -3.770 1.00 0.00 H new ATOM 0 HB ILE A 80 4.790 2.586 -1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.838 5.468 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.959 4.170 -0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.322 4.414 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.789 3.472 -3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.067 5.065 -3.620 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.642 5.145 0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.042 3.450 0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.935 4.768 -0.459 1.00 0.00 H new ATOM 1248 N VAL A 81 3.573 2.335 -5.479 1.00 0.00 N ATOM 1249 CA VAL A 81 3.874 1.281 -6.504 1.00 0.00 C ATOM 1250 C VAL A 81 5.296 1.436 -7.070 1.00 0.00 C ATOM 1251 O VAL A 81 5.850 2.517 -7.092 1.00 0.00 O ATOM 1252 CB VAL A 81 2.819 1.507 -7.586 1.00 0.00 C ATOM 1253 CG1 VAL A 81 2.877 0.374 -8.614 1.00 0.00 C ATOM 1254 CG2 VAL A 81 1.434 1.537 -6.929 1.00 0.00 C ATOM 0 H VAL A 81 3.393 3.266 -5.855 1.00 0.00 H new ATOM 0 HA VAL A 81 3.839 0.274 -6.088 1.00 0.00 H new ATOM 0 HB VAL A 81 3.010 2.453 -8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.122 0.541 -9.383 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.865 0.351 -9.074 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.685 -0.577 -8.118 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.673 1.698 -7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.249 0.588 -6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.394 2.347 -6.201 1.00 0.00 H new ATOM 1264 N VAL A 82 5.898 0.354 -7.515 1.00 0.00 N ATOM 1265 CA VAL A 82 7.293 0.436 -8.061 1.00 0.00 C ATOM 1266 C VAL A 82 7.357 -0.021 -9.527 1.00 0.00 C ATOM 1267 O VAL A 82 6.608 -0.875 -9.962 1.00 0.00 O ATOM 1268 CB VAL A 82 8.113 -0.505 -7.179 1.00 0.00 C ATOM 1269 CG1 VAL A 82 9.606 -0.298 -7.451 1.00 0.00 C ATOM 1270 CG2 VAL A 82 7.813 -0.204 -5.709 1.00 0.00 C ATOM 0 H VAL A 82 5.484 -0.578 -7.523 1.00 0.00 H new ATOM 0 HA VAL A 82 7.665 1.460 -8.047 1.00 0.00 H new ATOM 0 HB VAL A 82 7.849 -1.538 -7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.187 -0.971 -6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.818 -0.510 -8.499 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.877 0.734 -7.227 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.395 -0.872 -5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.079 0.830 -5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.751 -0.355 -5.516 1.00 0.00 H new ATOM 1280 N GLY A 83 8.261 0.548 -10.285 1.00 0.00 N ATOM 1281 CA GLY A 83 8.406 0.170 -11.723 1.00 0.00 C ATOM 1282 C GLY A 83 7.571 1.119 -12.590 1.00 0.00 C ATOM 1283 O GLY A 83 7.849 2.299 -12.680 1.00 0.00 O ATOM 0 H GLY A 83 8.911 1.266 -9.965 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.454 0.218 -12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.080 -0.859 -11.874 1.00 0.00 H new ATOM 1492 N LEU A 98 -3.073 -0.271 -11.253 1.00 0.00 N ATOM 1493 CA LEU A 98 -2.351 -1.202 -10.343 1.00 0.00 C ATOM 1494 C LEU A 98 -3.076 -1.253 -9.007 1.00 0.00 C ATOM 1495 O LEU A 98 -3.183 -2.285 -8.377 1.00 0.00 O ATOM 1496 CB LEU A 98 -0.957 -0.590 -10.183 1.00 0.00 C ATOM 1497 CG LEU A 98 -0.278 -0.489 -11.551 1.00 0.00 C ATOM 1498 CD1 LEU A 98 1.193 -0.121 -11.359 1.00 0.00 C ATOM 1499 CD2 LEU A 98 -0.380 -1.833 -12.276 1.00 0.00 C ATOM 0 HA LEU A 98 -2.299 -2.221 -10.725 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.033 0.399 -9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.355 -1.203 -9.512 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.772 0.279 -12.147 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.680 -0.048 -12.332 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.264 0.838 -10.845 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.686 -0.890 -10.763 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.104 -1.759 -13.250 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.113 -2.604 -11.684 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.429 -2.095 -12.412 1.00 0.00 H new ATOM 1511 N TYR A 99 -3.584 -0.135 -8.584 1.00 0.00 N ATOM 1512 CA TYR A 99 -4.325 -0.079 -7.296 1.00 0.00 C ATOM 1513 C TYR A 99 -5.382 1.024 -7.383 1.00 0.00 C ATOM 1514 O TYR A 99 -6.048 1.169 -8.387 1.00 0.00 O ATOM 1515 CB TYR A 99 -3.262 0.251 -6.241 1.00 0.00 C ATOM 1516 CG TYR A 99 -3.682 -0.279 -4.887 1.00 0.00 C ATOM 1517 CD1 TYR A 99 -5.028 -0.566 -4.631 1.00 0.00 C ATOM 1518 CD2 TYR A 99 -2.721 -0.481 -3.885 1.00 0.00 C ATOM 1519 CE1 TYR A 99 -5.413 -1.055 -3.376 1.00 0.00 C ATOM 1520 CE2 TYR A 99 -3.106 -0.972 -2.629 1.00 0.00 C ATOM 1521 CZ TYR A 99 -4.454 -1.258 -2.376 1.00 0.00 C ATOM 1522 OH TYR A 99 -4.837 -1.742 -1.142 1.00 0.00 O ATOM 0 H TYR A 99 -3.518 0.754 -9.080 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.842 -1.007 -7.053 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.306 -0.186 -6.529 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.116 1.330 -6.187 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -5.769 -0.410 -5.401 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.683 -0.258 -4.081 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.452 -1.276 -3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.365 -1.129 -1.859 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.815 -1.755 -1.085 1.00 0.00 H new ATOM 1532 N HIS A 100 -5.534 1.814 -6.360 1.00 0.00 N ATOM 1533 CA HIS A 100 -6.543 2.913 -6.434 1.00 0.00 C ATOM 1534 C HIS A 100 -5.857 4.218 -6.833 1.00 0.00 C ATOM 1535 O HIS A 100 -4.659 4.271 -7.028 1.00 0.00 O ATOM 1536 CB HIS A 100 -7.165 3.047 -5.039 1.00 0.00 C ATOM 1537 CG HIS A 100 -6.117 2.860 -3.983 1.00 0.00 C ATOM 1538 ND1 HIS A 100 -5.974 1.658 -3.281 1.00 0.00 N ATOM 1539 CD2 HIS A 100 -5.127 3.689 -3.515 1.00 0.00 C ATOM 1540 CE1 HIS A 100 -4.930 1.798 -2.443 1.00 0.00 C ATOM 1541 NE2 HIS A 100 -4.402 3.004 -2.564 1.00 0.00 N ATOM 0 H HIS A 100 -5.013 1.752 -5.485 1.00 0.00 H new ATOM 0 HA HIS A 100 -7.309 2.693 -7.178 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -7.628 4.028 -4.932 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -7.955 2.306 -4.913 1.00 0.00 H new ATOM 0 HD1 HIS A 100 -6.555 0.826 -3.385 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -4.947 4.704 -3.837 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -4.574 1.034 -1.768 1.00 0.00 H new ATOM 1549 N SER A 101 -6.611 5.267 -6.961 1.00 0.00 N ATOM 1550 CA SER A 101 -6.012 6.573 -7.350 1.00 0.00 C ATOM 1551 C SER A 101 -5.181 7.144 -6.194 1.00 0.00 C ATOM 1552 O SER A 101 -4.402 8.059 -6.374 1.00 0.00 O ATOM 1553 CB SER A 101 -7.211 7.463 -7.657 1.00 0.00 C ATOM 1554 OG SER A 101 -7.250 7.727 -9.052 1.00 0.00 O ATOM 0 H SER A 101 -7.620 5.280 -6.813 1.00 0.00 H new ATOM 0 HA SER A 101 -5.335 6.491 -8.201 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.133 6.974 -7.341 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.138 8.397 -7.100 1.00 0.00 H new ATOM 0 HG SER A 101 -8.020 8.298 -9.256 1.00 0.00 H new ATOM 1560 N ALA A 102 -5.338 6.612 -5.013 1.00 0.00 N ATOM 1561 CA ALA A 102 -4.551 7.132 -3.857 1.00 0.00 C ATOM 1562 C ALA A 102 -3.153 6.510 -3.845 1.00 0.00 C ATOM 1563 O ALA A 102 -2.250 6.997 -3.195 1.00 0.00 O ATOM 1564 CB ALA A 102 -5.335 6.697 -2.618 1.00 0.00 C ATOM 0 H ALA A 102 -5.974 5.844 -4.798 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.419 8.213 -3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.820 7.042 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.335 7.129 -2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.409 5.610 -2.598 1.00 0.00 H new ATOM 1570 N GLU A 103 -2.971 5.429 -4.553 1.00 0.00 N ATOM 1571 CA GLU A 103 -1.641 4.765 -4.575 1.00 0.00 C ATOM 1572 C GLU A 103 -0.579 5.693 -5.173 1.00 0.00 C ATOM 1573 O GLU A 103 -0.793 6.335 -6.182 1.00 0.00 O ATOM 1574 CB GLU A 103 -1.833 3.526 -5.457 1.00 0.00 C ATOM 1575 CG GLU A 103 -1.783 3.924 -6.937 1.00 0.00 C ATOM 1576 CD GLU A 103 -2.171 2.724 -7.803 1.00 0.00 C ATOM 1577 OE1 GLU A 103 -1.555 1.682 -7.648 1.00 0.00 O ATOM 1578 OE2 GLU A 103 -3.079 2.866 -8.605 1.00 0.00 O ATOM 0 H GLU A 103 -3.690 4.977 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.297 4.508 -3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.056 2.793 -5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.789 3.053 -5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.463 4.755 -7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.782 4.266 -7.199 1.00 0.00 H new ATOM 1585 N LEU A 104 0.572 5.753 -4.565 1.00 0.00 N ATOM 1586 CA LEU A 104 1.656 6.619 -5.104 1.00 0.00 C ATOM 1587 C LEU A 104 2.615 5.773 -5.944 1.00 0.00 C ATOM 1588 O LEU A 104 2.684 4.571 -5.791 1.00 0.00 O ATOM 1589 CB LEU A 104 2.363 7.183 -3.876 1.00 0.00 C ATOM 1590 CG LEU A 104 1.921 8.632 -3.657 1.00 0.00 C ATOM 1591 CD1 LEU A 104 0.478 8.659 -3.154 1.00 0.00 C ATOM 1592 CD2 LEU A 104 2.830 9.297 -2.621 1.00 0.00 C ATOM 0 H LEU A 104 0.809 5.239 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 104 1.279 7.415 -5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.126 6.582 -2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.444 7.137 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 104 1.988 9.173 -4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.166 9.692 -2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.173 8.190 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.411 8.114 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.513 10.328 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.766 8.753 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.860 9.284 -2.978 1.00 0.00 H new ATOM 1604 N HIS A 105 3.346 6.385 -6.834 1.00 0.00 N ATOM 1605 CA HIS A 105 4.292 5.602 -7.688 1.00 0.00 C ATOM 1606 C HIS A 105 5.742 5.874 -7.272 1.00 0.00 C ATOM 1607 O HIS A 105 6.055 6.914 -6.724 1.00 0.00 O ATOM 1608 CB HIS A 105 4.045 6.101 -9.114 1.00 0.00 C ATOM 1609 CG HIS A 105 2.626 5.805 -9.529 1.00 0.00 C ATOM 1610 ND1 HIS A 105 2.006 6.478 -10.573 1.00 0.00 N ATOM 1611 CD2 HIS A 105 1.696 4.909 -9.059 1.00 0.00 C ATOM 1612 CE1 HIS A 105 0.761 5.983 -10.694 1.00 0.00 C ATOM 1613 NE2 HIS A 105 0.519 5.023 -9.797 1.00 0.00 N ATOM 0 H HIS A 105 3.332 7.390 -7.009 1.00 0.00 H new ATOM 0 HA HIS A 105 4.133 4.528 -7.595 1.00 0.00 H new ATOM 0 HB2 HIS A 105 4.232 7.173 -9.170 1.00 0.00 H new ATOM 0 HB3 HIS A 105 4.741 5.620 -9.801 1.00 0.00 H new ATOM 0 HD2 HIS A 105 1.853 4.221 -8.242 1.00 0.00 H new ATOM 0 HE1 HIS A 105 0.044 6.321 -11.428 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -0.342 4.489 -9.678 1.00 0.00 H new ATOM 1621 N LEU A 106 6.633 4.952 -7.523 1.00 0.00 N ATOM 1622 CA LEU A 106 8.053 5.182 -7.133 1.00 0.00 C ATOM 1623 C LEU A 106 9.017 4.637 -8.189 1.00 0.00 C ATOM 1624 O LEU A 106 8.757 3.641 -8.835 1.00 0.00 O ATOM 1625 CB LEU A 106 8.237 4.433 -5.821 1.00 0.00 C ATOM 1626 CG LEU A 106 9.708 4.501 -5.412 1.00 0.00 C ATOM 1627 CD1 LEU A 106 10.093 5.953 -5.119 1.00 0.00 C ATOM 1628 CD2 LEU A 106 9.920 3.661 -4.157 1.00 0.00 C ATOM 0 H LEU A 106 6.441 4.059 -7.976 1.00 0.00 H new ATOM 0 HA LEU A 106 8.267 6.246 -7.038 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.610 4.872 -5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.925 3.395 -5.933 1.00 0.00 H new ATOM 0 HG LEU A 106 10.328 4.118 -6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.142 5.999 -4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.937 6.558 -6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.474 6.337 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.968 3.707 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.298 4.049 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.645 2.626 -4.361 1.00 0.00 H new ATOM 1640 N GLY A 107 10.138 5.283 -8.358 1.00 0.00 N ATOM 1641 CA GLY A 107 11.130 4.805 -9.360 1.00 0.00 C ATOM 1642 C GLY A 107 11.883 3.598 -8.797 1.00 0.00 C ATOM 1643 O GLY A 107 12.274 3.581 -7.645 1.00 0.00 O ATOM 0 H GLY A 107 10.409 6.122 -7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.624 4.532 -10.286 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.831 5.603 -9.603 1.00 0.00 H new ATOM 1647 N ILE A 108 12.100 2.594 -9.600 1.00 0.00 N ATOM 1648 CA ILE A 108 12.832 1.398 -9.126 1.00 0.00 C ATOM 1649 C ILE A 108 14.206 1.813 -8.603 1.00 0.00 C ATOM 1650 O ILE A 108 14.622 1.416 -7.533 1.00 0.00 O ATOM 1651 CB ILE A 108 12.956 0.548 -10.383 1.00 0.00 C ATOM 1652 CG1 ILE A 108 11.560 0.170 -10.884 1.00 0.00 C ATOM 1653 CG2 ILE A 108 13.740 -0.709 -10.067 1.00 0.00 C ATOM 1654 CD1 ILE A 108 11.685 -0.661 -12.161 1.00 0.00 C ATOM 0 H ILE A 108 11.796 2.555 -10.573 1.00 0.00 H new ATOM 0 HA ILE A 108 12.339 0.869 -8.311 1.00 0.00 H new ATOM 0 HB ILE A 108 13.476 1.115 -11.155 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.028 -0.396 -10.119 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.976 1.069 -11.078 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.829 -1.318 -10.967 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.734 -0.438 -9.712 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.221 -1.277 -9.294 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.691 -0.931 -12.518 1.00 0.00 H new ATOM 0 HD12 ILE A 108 12.200 -0.079 -12.925 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.253 -1.567 -11.951 1.00 0.00 H new ATOM 1666 N HIS A 109 14.900 2.632 -9.342 1.00 0.00 N ATOM 1667 CA HIS A 109 16.231 3.101 -8.877 1.00 0.00 C ATOM 1668 C HIS A 109 16.039 4.312 -7.958 1.00 0.00 C ATOM 1669 O HIS A 109 16.984 4.941 -7.528 1.00 0.00 O ATOM 1670 CB HIS A 109 16.989 3.487 -10.150 1.00 0.00 C ATOM 1671 CG HIS A 109 16.456 4.787 -10.689 1.00 0.00 C ATOM 1672 ND1 HIS A 109 15.260 4.865 -11.386 1.00 0.00 N ATOM 1673 CD2 HIS A 109 16.945 6.070 -10.639 1.00 0.00 C ATOM 1674 CE1 HIS A 109 15.072 6.154 -11.725 1.00 0.00 C ATOM 1675 NE2 HIS A 109 16.069 6.932 -11.295 1.00 0.00 N ATOM 0 H HIS A 109 14.602 2.996 -10.247 1.00 0.00 H new ATOM 0 HA HIS A 109 16.777 2.346 -8.311 1.00 0.00 H new ATOM 0 HB2 HIS A 109 18.053 3.581 -9.935 1.00 0.00 H new ATOM 0 HB3 HIS A 109 16.883 2.702 -10.899 1.00 0.00 H new ATOM 0 HD2 HIS A 109 17.868 6.365 -10.163 1.00 0.00 H new ATOM 0 HE1 HIS A 109 14.218 6.516 -12.278 1.00 0.00 H new ATOM 0 HE2 HIS A 109 16.168 7.940 -11.420 1.00 0.00 H new ATOM 1683 N GLN A 110 14.807 4.633 -7.652 1.00 0.00 N ATOM 1684 CA GLN A 110 14.522 5.789 -6.761 1.00 0.00 C ATOM 1685 C GLN A 110 14.051 5.271 -5.398 1.00 0.00 C ATOM 1686 O GLN A 110 13.241 5.881 -4.727 1.00 0.00 O ATOM 1687 CB GLN A 110 13.424 6.580 -7.487 1.00 0.00 C ATOM 1688 CG GLN A 110 14.047 7.280 -8.702 1.00 0.00 C ATOM 1689 CD GLN A 110 13.012 8.163 -9.411 1.00 0.00 C ATOM 1690 OE1 GLN A 110 13.252 8.628 -10.508 1.00 0.00 O ATOM 1691 NE2 GLN A 110 11.869 8.418 -8.835 1.00 0.00 N ATOM 0 H GLN A 110 13.982 4.136 -7.987 1.00 0.00 H new ATOM 0 HA GLN A 110 15.392 6.418 -6.570 1.00 0.00 H new ATOM 0 HB2 GLN A 110 12.624 5.912 -7.805 1.00 0.00 H new ATOM 0 HB3 GLN A 110 12.979 7.314 -6.815 1.00 0.00 H new ATOM 0 HG2 GLN A 110 14.893 7.888 -8.383 1.00 0.00 H new ATOM 0 HG3 GLN A 110 14.434 6.535 -9.398 1.00 0.00 H new ATOM 0 HE21 GLN A 110 11.664 8.030 -7.914 1.00 0.00 H new ATOM 0 HE22 GLN A 110 11.181 9.006 -9.305 1.00 0.00 H new ATOM 1700 N LEU A 111 14.562 4.138 -4.993 1.00 0.00 N ATOM 1701 CA LEU A 111 14.165 3.546 -3.681 1.00 0.00 C ATOM 1702 C LEU A 111 14.659 4.414 -2.528 1.00 0.00 C ATOM 1703 O LEU A 111 15.406 3.984 -1.671 1.00 0.00 O ATOM 1704 CB LEU A 111 14.829 2.170 -3.656 1.00 0.00 C ATOM 1705 CG LEU A 111 13.883 1.102 -4.230 1.00 0.00 C ATOM 1706 CD1 LEU A 111 13.103 0.468 -3.087 1.00 0.00 C ATOM 1707 CD2 LEU A 111 12.890 1.712 -5.229 1.00 0.00 C ATOM 0 H LEU A 111 15.244 3.592 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 111 13.083 3.477 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 111 15.752 2.195 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 111 15.102 1.910 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 111 14.483 0.357 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.429 -0.291 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.797 0.006 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.524 1.235 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.236 0.930 -5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 111 12.290 2.472 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.438 2.168 -6.054 1.00 0.00 H new ATOM 1719 N GLU A 112 14.226 5.630 -2.511 1.00 0.00 N ATOM 1720 CA GLU A 112 14.623 6.574 -1.425 1.00 0.00 C ATOM 1721 C GLU A 112 13.470 7.543 -1.136 1.00 0.00 C ATOM 1722 O GLU A 112 13.530 8.346 -0.226 1.00 0.00 O ATOM 1723 CB GLU A 112 15.832 7.336 -1.971 1.00 0.00 C ATOM 1724 CG GLU A 112 16.860 6.349 -2.525 1.00 0.00 C ATOM 1725 CD GLU A 112 18.037 7.125 -3.115 1.00 0.00 C ATOM 1726 OE1 GLU A 112 18.685 7.839 -2.370 1.00 0.00 O ATOM 1727 OE2 GLU A 112 18.266 6.996 -4.306 1.00 0.00 O ATOM 0 H GLU A 112 13.601 6.027 -3.213 1.00 0.00 H new ATOM 0 HA GLU A 112 14.859 6.057 -0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.516 8.024 -2.755 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.281 7.938 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.207 5.685 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.403 5.721 -3.290 1.00 0.00 H new ATOM 1734 N GLN A 113 12.420 7.475 -1.917 1.00 0.00 N ATOM 1735 CA GLN A 113 11.261 8.382 -1.713 1.00 0.00 C ATOM 1736 C GLN A 113 10.162 7.663 -0.935 1.00 0.00 C ATOM 1737 O GLN A 113 9.209 8.262 -0.499 1.00 0.00 O ATOM 1738 CB GLN A 113 10.806 8.722 -3.128 1.00 0.00 C ATOM 1739 CG GLN A 113 11.735 9.800 -3.681 1.00 0.00 C ATOM 1740 CD GLN A 113 12.146 9.461 -5.112 1.00 0.00 C ATOM 1741 OE1 GLN A 113 11.335 9.488 -6.017 1.00 0.00 O ATOM 1742 NE2 GLN A 113 13.386 9.141 -5.353 1.00 0.00 N ATOM 0 H GLN A 113 12.321 6.821 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 113 11.508 9.273 -1.136 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.835 7.835 -3.760 1.00 0.00 H new ATOM 0 HB3 GLN A 113 9.775 9.075 -3.121 1.00 0.00 H new ATOM 0 HG2 GLN A 113 11.234 10.768 -3.659 1.00 0.00 H new ATOM 0 HG3 GLN A 113 12.621 9.885 -3.051 1.00 0.00 H new ATOM 0 HE21 GLN A 113 14.064 9.119 -4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 113 13.678 8.912 -6.303 1.00 0.00 H new ATOM 1751 N LEU A 114 10.294 6.380 -0.740 1.00 0.00 N ATOM 1752 CA LEU A 114 9.254 5.644 0.029 1.00 0.00 C ATOM 1753 C LEU A 114 8.880 6.399 1.308 1.00 0.00 C ATOM 1754 O LEU A 114 7.716 6.538 1.603 1.00 0.00 O ATOM 1755 CB LEU A 114 9.878 4.294 0.380 1.00 0.00 C ATOM 1756 CG LEU A 114 9.897 3.407 -0.863 1.00 0.00 C ATOM 1757 CD1 LEU A 114 11.323 3.322 -1.403 1.00 0.00 C ATOM 1758 CD2 LEU A 114 9.403 2.002 -0.507 1.00 0.00 C ATOM 0 H LEU A 114 11.072 5.813 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 114 8.339 5.534 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.892 4.436 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.308 3.813 1.175 1.00 0.00 H new ATOM 0 HG LEU A 114 9.242 3.836 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 114 11.339 2.689 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 114 11.674 4.321 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 114 11.976 2.895 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 114 9.419 1.374 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 114 10.053 1.570 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.385 2.061 -0.123 1.00 0.00 H new ATOM 1770 N PRO A 115 9.862 6.860 2.046 1.00 0.00 N ATOM 1771 CA PRO A 115 9.554 7.588 3.305 1.00 0.00 C ATOM 1772 C PRO A 115 8.788 8.870 2.987 1.00 0.00 C ATOM 1773 O PRO A 115 7.689 9.078 3.464 1.00 0.00 O ATOM 1774 CB PRO A 115 10.931 7.864 3.905 1.00 0.00 C ATOM 1775 CG PRO A 115 11.858 7.828 2.736 1.00 0.00 C ATOM 1776 CD PRO A 115 11.310 6.775 1.811 1.00 0.00 C ATOM 0 HA PRO A 115 8.920 7.034 3.997 1.00 0.00 H new ATOM 0 HB2 PRO A 115 10.960 8.832 4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 115 11.199 7.113 4.648 1.00 0.00 H new ATOM 0 HG2 PRO A 115 11.902 8.798 2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 115 12.873 7.584 3.049 1.00 0.00 H new ATOM 0 HD2 PRO A 115 11.564 6.978 0.771 1.00 0.00 H new ATOM 0 HD3 PRO A 115 11.701 5.785 2.047 1.00 0.00 H new ATOM 1784 N TYR A 116 9.337 9.715 2.164 1.00 0.00 N ATOM 1785 CA TYR A 116 8.605 10.956 1.796 1.00 0.00 C ATOM 1786 C TYR A 116 7.313 10.542 1.082 1.00 0.00 C ATOM 1787 O TYR A 116 6.258 11.105 1.294 1.00 0.00 O ATOM 1788 CB TYR A 116 9.588 11.732 0.899 1.00 0.00 C ATOM 1789 CG TYR A 116 8.996 12.040 -0.459 1.00 0.00 C ATOM 1790 CD1 TYR A 116 8.173 13.159 -0.627 1.00 0.00 C ATOM 1791 CD2 TYR A 116 9.294 11.217 -1.551 1.00 0.00 C ATOM 1792 CE1 TYR A 116 7.648 13.453 -1.891 1.00 0.00 C ATOM 1793 CE2 TYR A 116 8.767 11.508 -2.813 1.00 0.00 C ATOM 1794 CZ TYR A 116 7.944 12.629 -2.984 1.00 0.00 C ATOM 1795 OH TYR A 116 7.426 12.928 -4.228 1.00 0.00 O ATOM 0 H TYR A 116 10.254 9.602 1.733 1.00 0.00 H new ATOM 0 HA TYR A 116 8.304 11.585 2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 116 9.870 12.663 1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 116 10.501 11.149 0.773 1.00 0.00 H new ATOM 0 HD1 TYR A 116 7.943 13.794 0.216 1.00 0.00 H new ATOM 0 HD2 TYR A 116 9.932 10.356 -1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 116 7.014 14.317 -2.023 1.00 0.00 H new ATOM 0 HE2 TYR A 116 8.994 10.870 -3.654 1.00 0.00 H new ATOM 0 HH TYR A 116 7.727 12.259 -4.877 1.00 0.00 H new ATOM 1805 N GLN A 117 7.399 9.528 0.270 1.00 0.00 N ATOM 1806 CA GLN A 117 6.197 9.016 -0.441 1.00 0.00 C ATOM 1807 C GLN A 117 5.202 8.469 0.576 1.00 0.00 C ATOM 1808 O GLN A 117 4.012 8.672 0.471 1.00 0.00 O ATOM 1809 CB GLN A 117 6.712 7.879 -1.324 1.00 0.00 C ATOM 1810 CG GLN A 117 7.460 8.451 -2.526 1.00 0.00 C ATOM 1811 CD GLN A 117 6.510 8.529 -3.720 1.00 0.00 C ATOM 1812 OE1 GLN A 117 5.825 7.572 -4.029 1.00 0.00 O ATOM 1813 NE2 GLN A 117 6.436 9.633 -4.406 1.00 0.00 N ATOM 0 H GLN A 117 8.263 9.025 0.066 1.00 0.00 H new ATOM 0 HA GLN A 117 5.694 9.790 -1.021 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.373 7.231 -0.748 1.00 0.00 H new ATOM 0 HB3 GLN A 117 5.878 7.264 -1.663 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.848 9.442 -2.290 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.317 7.823 -2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.011 10.435 -4.146 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.803 9.696 -5.204 1.00 0.00 H new ATOM 1822 N VAL A 118 5.687 7.773 1.563 1.00 0.00 N ATOM 1823 CA VAL A 118 4.773 7.212 2.590 1.00 0.00 C ATOM 1824 C VAL A 118 4.004 8.356 3.253 1.00 0.00 C ATOM 1825 O VAL A 118 2.797 8.311 3.375 1.00 0.00 O ATOM 1826 CB VAL A 118 5.685 6.484 3.588 1.00 0.00 C ATOM 1827 CG1 VAL A 118 4.993 6.369 4.946 1.00 0.00 C ATOM 1828 CG2 VAL A 118 5.987 5.072 3.072 1.00 0.00 C ATOM 0 H VAL A 118 6.677 7.569 1.702 1.00 0.00 H new ATOM 0 HA VAL A 118 4.031 6.528 2.179 1.00 0.00 H new ATOM 0 HB VAL A 118 6.609 7.052 3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.649 5.851 5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.771 7.366 5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 118 4.065 5.808 4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 118 6.634 4.556 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 118 5.055 4.518 2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 118 6.487 5.137 2.105 1.00 0.00 H new ATOM 1838 N ASP A 119 4.684 9.393 3.659 1.00 0.00 N ATOM 1839 CA ASP A 119 3.968 10.539 4.283 1.00 0.00 C ATOM 1840 C ASP A 119 3.031 11.177 3.250 1.00 0.00 C ATOM 1841 O ASP A 119 1.886 11.495 3.530 1.00 0.00 O ATOM 1842 CB ASP A 119 5.068 11.522 4.690 1.00 0.00 C ATOM 1843 CG ASP A 119 5.819 10.987 5.913 1.00 0.00 C ATOM 1844 OD1 ASP A 119 5.522 9.880 6.331 1.00 0.00 O ATOM 1845 OD2 ASP A 119 6.677 11.696 6.410 1.00 0.00 O ATOM 0 H ASP A 119 5.696 9.496 3.586 1.00 0.00 H new ATOM 0 HA ASP A 119 3.360 10.241 5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.762 11.668 3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.632 12.495 4.917 1.00 0.00 H new ATOM 1850 N ALA A 120 3.510 11.357 2.048 1.00 0.00 N ATOM 1851 CA ALA A 120 2.659 11.965 0.989 1.00 0.00 C ATOM 1852 C ALA A 120 1.544 10.993 0.599 1.00 0.00 C ATOM 1853 O ALA A 120 0.414 11.385 0.386 1.00 0.00 O ATOM 1854 CB ALA A 120 3.602 12.217 -0.189 1.00 0.00 C ATOM 0 H ALA A 120 4.455 11.108 1.755 1.00 0.00 H new ATOM 0 HA ALA A 120 2.178 12.886 1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.045 12.666 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.399 12.893 0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.035 11.272 -0.517 1.00 0.00 H new ATOM 1860 N ALA A 121 1.852 9.728 0.517 1.00 0.00 N ATOM 1861 CA ALA A 121 0.804 8.734 0.159 1.00 0.00 C ATOM 1862 C ALA A 121 -0.308 8.778 1.206 1.00 0.00 C ATOM 1863 O ALA A 121 -1.476 8.650 0.896 1.00 0.00 O ATOM 1864 CB ALA A 121 1.519 7.381 0.175 1.00 0.00 C ATOM 0 H ALA A 121 2.781 9.341 0.682 1.00 0.00 H new ATOM 0 HA ALA A 121 0.345 8.928 -0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.811 6.592 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 121 2.330 7.390 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.926 7.196 1.169 1.00 0.00 H new ATOM 1870 N LEU A 122 0.048 8.969 2.449 1.00 0.00 N ATOM 1871 CA LEU A 122 -0.985 9.034 3.518 1.00 0.00 C ATOM 1872 C LEU A 122 -1.942 10.197 3.247 1.00 0.00 C ATOM 1873 O LEU A 122 -3.144 10.022 3.200 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.201 9.276 4.810 1.00 0.00 C ATOM 1875 CG LEU A 122 0.592 8.021 5.180 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.787 8.409 6.053 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.305 7.059 5.962 1.00 0.00 C ATOM 0 H LEU A 122 1.010 9.083 2.768 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.588 8.127 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.476 10.120 4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.885 9.536 5.618 1.00 0.00 H new ATOM 0 HG LEU A 122 0.943 7.538 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.351 7.514 6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.431 9.096 5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.431 8.894 6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.261 6.166 6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.656 7.547 6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.161 6.778 5.348 1.00 0.00 H new ATOM 1889 N ALA A 123 -1.421 11.381 3.062 1.00 0.00 N ATOM 1890 CA ALA A 123 -2.314 12.542 2.786 1.00 0.00 C ATOM 1891 C ALA A 123 -3.114 12.293 1.506 1.00 0.00 C ATOM 1892 O ALA A 123 -4.286 12.602 1.421 1.00 0.00 O ATOM 1893 CB ALA A 123 -1.381 13.742 2.611 1.00 0.00 C ATOM 0 H ALA A 123 -0.424 11.593 3.090 1.00 0.00 H new ATOM 0 HA ALA A 123 -3.033 12.707 3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -1.971 14.635 2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.805 13.891 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.701 13.556 1.779 1.00 0.00 H new ATOM 1899 N GLU A 124 -2.486 11.735 0.508 1.00 0.00 N ATOM 1900 CA GLU A 124 -3.204 11.461 -0.768 1.00 0.00 C ATOM 1901 C GLU A 124 -4.336 10.456 -0.541 1.00 0.00 C ATOM 1902 O GLU A 124 -5.381 10.536 -1.157 1.00 0.00 O ATOM 1903 CB GLU A 124 -2.143 10.879 -1.704 1.00 0.00 C ATOM 1904 CG GLU A 124 -2.776 10.537 -3.056 1.00 0.00 C ATOM 1905 CD GLU A 124 -3.352 11.802 -3.690 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -3.108 12.872 -3.156 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -4.027 11.681 -4.699 1.00 0.00 O ATOM 0 H GLU A 124 -1.505 11.457 0.521 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.663 12.359 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.334 11.596 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -1.705 9.985 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -2.030 10.095 -3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.563 9.795 -2.923 1.00 0.00 H new ATOM 1914 N PHE A 125 -4.134 9.502 0.330 1.00 0.00 N ATOM 1915 CA PHE A 125 -5.197 8.489 0.578 1.00 0.00 C ATOM 1916 C PHE A 125 -6.369 9.090 1.359 1.00 0.00 C ATOM 1917 O PHE A 125 -7.508 8.712 1.172 1.00 0.00 O ATOM 1918 CB PHE A 125 -4.532 7.385 1.397 1.00 0.00 C ATOM 1919 CG PHE A 125 -5.504 6.248 1.525 1.00 0.00 C ATOM 1920 CD1 PHE A 125 -6.441 6.245 2.562 1.00 0.00 C ATOM 1921 CD2 PHE A 125 -5.484 5.206 0.592 1.00 0.00 C ATOM 1922 CE1 PHE A 125 -7.362 5.199 2.667 1.00 0.00 C ATOM 1923 CE2 PHE A 125 -6.403 4.157 0.698 1.00 0.00 C ATOM 1924 CZ PHE A 125 -7.343 4.155 1.735 1.00 0.00 C ATOM 0 H PHE A 125 -3.282 9.382 0.877 1.00 0.00 H new ATOM 0 HA PHE A 125 -5.607 8.116 -0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.616 7.050 0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -4.251 7.758 2.382 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -6.453 7.050 3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -4.760 5.211 -0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -8.088 5.196 3.467 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.387 3.350 -0.019 1.00 0.00 H new ATOM 0 HZ PHE A 125 -8.055 3.347 1.816 1.00 0.00 H new ATOM 1934 N LEU A 126 -6.102 10.004 2.247 1.00 0.00 N ATOM 1935 CA LEU A 126 -7.205 10.607 3.048 1.00 0.00 C ATOM 1936 C LEU A 126 -8.057 11.548 2.191 1.00 0.00 C ATOM 1937 O LEU A 126 -9.264 11.590 2.313 1.00 0.00 O ATOM 1938 CB LEU A 126 -6.493 11.370 4.161 1.00 0.00 C ATOM 1939 CG LEU A 126 -5.668 10.382 4.984 1.00 0.00 C ATOM 1940 CD1 LEU A 126 -4.832 11.138 6.016 1.00 0.00 C ATOM 1941 CD2 LEU A 126 -6.611 9.414 5.700 1.00 0.00 C ATOM 0 H LEU A 126 -5.169 10.361 2.454 1.00 0.00 H new ATOM 0 HA LEU A 126 -7.893 9.856 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.848 12.140 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.220 11.876 4.796 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.002 9.827 4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.246 10.428 6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.161 11.829 5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.492 11.697 6.680 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.028 8.706 6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.275 9.973 6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.203 8.871 4.963 1.00 0.00 H new ATOM 1953 N ARG A 127 -7.440 12.305 1.329 1.00 0.00 N ATOM 1954 CA ARG A 127 -8.226 13.240 0.472 1.00 0.00 C ATOM 1955 C ARG A 127 -9.195 12.459 -0.420 1.00 0.00 C ATOM 1956 O ARG A 127 -10.315 12.872 -0.641 1.00 0.00 O ATOM 1957 CB ARG A 127 -7.190 13.987 -0.365 1.00 0.00 C ATOM 1958 CG ARG A 127 -6.239 14.743 0.566 1.00 0.00 C ATOM 1959 CD ARG A 127 -6.229 16.230 0.198 1.00 0.00 C ATOM 1960 NE ARG A 127 -6.059 16.251 -1.281 1.00 0.00 N ATOM 1961 CZ ARG A 127 -6.345 17.328 -1.960 1.00 0.00 C ATOM 1962 NH1 ARG A 127 -6.733 18.411 -1.345 1.00 0.00 N ATOM 1963 NH2 ARG A 127 -6.231 17.324 -3.259 1.00 0.00 N ATOM 0 H ARG A 127 -6.431 12.319 1.179 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.833 13.927 1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.631 13.285 -0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -7.685 14.683 -1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.553 14.617 1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -5.233 14.332 0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -7.156 16.718 0.497 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -5.416 16.756 0.698 1.00 0.00 H new ATOM 0 HE ARG A 127 -5.718 15.421 -1.765 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -6.814 18.419 -0.328 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -6.955 19.250 -1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -5.919 16.481 -3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -6.454 18.164 -3.793 1.00 0.00 H new ATOM 1977 N LEU A 128 -8.784 11.328 -0.924 1.00 0.00 N ATOM 1978 CA LEU A 128 -9.703 10.534 -1.784 1.00 0.00 C ATOM 1979 C LEU A 128 -10.397 9.471 -0.954 1.00 0.00 C ATOM 1980 O LEU A 128 -11.327 8.837 -1.402 1.00 0.00 O ATOM 1981 CB LEU A 128 -8.830 9.903 -2.861 1.00 0.00 C ATOM 1982 CG LEU A 128 -8.834 10.831 -4.071 1.00 0.00 C ATOM 1983 CD1 LEU A 128 -7.926 12.024 -3.784 1.00 0.00 C ATOM 1984 CD2 LEU A 128 -8.335 10.085 -5.310 1.00 0.00 C ATOM 0 H LEU A 128 -7.859 10.923 -0.779 1.00 0.00 H new ATOM 0 HA LEU A 128 -10.483 11.152 -2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -7.814 9.760 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -9.212 8.919 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.850 11.177 -4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -7.922 12.694 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -8.294 12.559 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -6.912 11.672 -3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -8.342 10.758 -6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -7.319 9.730 -5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -8.987 9.235 -5.510 1.00 0.00 H new ATOM 1996 N ALA A 129 -9.956 9.276 0.257 1.00 0.00 N ATOM 1997 CA ALA A 129 -10.596 8.251 1.118 1.00 0.00 C ATOM 1998 C ALA A 129 -12.089 8.553 1.267 1.00 0.00 C ATOM 1999 O ALA A 129 -12.452 9.627 1.709 1.00 0.00 O ATOM 2000 CB ALA A 129 -9.917 8.374 2.476 1.00 0.00 C ATOM 0 H ALA A 129 -9.181 9.783 0.685 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.494 7.251 0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.343 7.643 3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.848 8.189 2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -10.073 9.378 2.871 1.00 0.00 H new ATOM 2006 N PRO A 130 -12.916 7.602 0.909 1.00 0.00 N ATOM 2007 CA PRO A 130 -12.435 6.304 0.375 1.00 0.00 C ATOM 2008 C PRO A 130 -12.070 6.441 -1.111 1.00 0.00 C ATOM 2009 O PRO A 130 -12.922 6.649 -1.952 1.00 0.00 O ATOM 2010 CB PRO A 130 -13.629 5.382 0.565 1.00 0.00 C ATOM 2011 CG PRO A 130 -14.828 6.278 0.594 1.00 0.00 C ATOM 2012 CD PRO A 130 -14.375 7.660 0.984 1.00 0.00 C ATOM 0 HA PRO A 130 -11.537 5.936 0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -13.699 4.659 -0.248 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -13.542 4.813 1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -15.311 6.298 -0.383 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -15.564 5.905 1.306 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -14.777 8.415 0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -14.711 7.919 1.988 1.00 0.00 H new ATOM 2020 N VAL A 131 -10.807 6.334 -1.438 1.00 0.00 N ATOM 2021 CA VAL A 131 -10.394 6.465 -2.867 1.00 0.00 C ATOM 2022 C VAL A 131 -11.137 5.440 -3.724 1.00 0.00 C ATOM 2023 O VAL A 131 -11.610 4.435 -3.232 1.00 0.00 O ATOM 2024 CB VAL A 131 -8.891 6.182 -2.888 1.00 0.00 C ATOM 2025 CG1 VAL A 131 -8.155 7.201 -2.014 1.00 0.00 C ATOM 2026 CG2 VAL A 131 -8.633 4.768 -2.360 1.00 0.00 C ATOM 0 H VAL A 131 -10.047 6.162 -0.780 1.00 0.00 H new ATOM 0 HA VAL A 131 -10.624 7.452 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.524 6.262 -3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.085 6.992 -2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -8.336 8.206 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -8.519 7.131 -0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.562 4.564 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -9.004 4.688 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -9.149 4.044 -2.991 1.00 0.00 H new ATOM 2036 N GLU A 132 -11.243 5.682 -4.999 1.00 0.00 N ATOM 2037 CA GLU A 132 -11.959 4.712 -5.875 1.00 0.00 C ATOM 2038 C GLU A 132 -11.051 3.524 -6.204 1.00 0.00 C ATOM 2039 O GLU A 132 -10.006 3.676 -6.804 1.00 0.00 O ATOM 2040 CB GLU A 132 -12.295 5.500 -7.142 1.00 0.00 C ATOM 2041 CG GLU A 132 -13.347 6.563 -6.816 1.00 0.00 C ATOM 2042 CD GLU A 132 -13.747 7.302 -8.093 1.00 0.00 C ATOM 2043 OE1 GLU A 132 -14.436 6.708 -8.905 1.00 0.00 O ATOM 2044 OE2 GLU A 132 -13.362 8.451 -8.237 1.00 0.00 O ATOM 0 H GLU A 132 -10.868 6.504 -5.472 1.00 0.00 H new ATOM 0 HA GLU A 132 -12.851 4.304 -5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -11.396 5.972 -7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.669 4.827 -7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -14.223 6.096 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -12.951 7.268 -6.085 1.00 0.00 H new ATOM 2051 N THR A 133 -11.444 2.340 -5.819 1.00 0.00 N ATOM 2052 CA THR A 133 -10.607 1.144 -6.117 1.00 0.00 C ATOM 2053 C THR A 133 -11.239 0.334 -7.251 1.00 0.00 C ATOM 2054 O THR A 133 -12.250 -0.317 -7.074 1.00 0.00 O ATOM 2055 CB THR A 133 -10.585 0.334 -4.817 1.00 0.00 C ATOM 2056 OG1 THR A 133 -11.774 0.585 -4.080 1.00 0.00 O ATOM 2057 CG2 THR A 133 -9.360 0.726 -3.985 1.00 0.00 C ATOM 0 H THR A 133 -12.308 2.150 -5.311 1.00 0.00 H new ATOM 0 HA THR A 133 -9.601 1.412 -6.439 1.00 0.00 H new ATOM 0 HB THR A 133 -10.528 -0.729 -5.053 1.00 0.00 H new ATOM 0 HG1 THR A 133 -11.760 0.065 -3.249 1.00 0.00 H new ATOM 0 HG21 THR A 133 -9.348 0.148 -3.061 1.00 0.00 H new ATOM 0 HG22 THR A 133 -8.453 0.521 -4.554 1.00 0.00 H new ATOM 0 HG23 THR A 133 -9.406 1.789 -3.747 1.00 0.00 H new ATOM 2065 N MET A 134 -10.653 0.370 -8.418 1.00 0.00 N ATOM 2066 CA MET A 134 -11.225 -0.397 -9.561 1.00 0.00 C ATOM 2067 C MET A 134 -10.833 -1.873 -9.447 1.00 0.00 C ATOM 2068 O MET A 134 -11.256 -2.700 -10.231 1.00 0.00 O ATOM 2069 CB MET A 134 -10.613 0.242 -10.809 1.00 0.00 C ATOM 2070 CG MET A 134 -10.966 1.727 -10.835 1.00 0.00 C ATOM 2071 SD MET A 134 -10.445 2.448 -12.411 1.00 0.00 S ATOM 2072 CE MET A 134 -10.137 4.120 -11.792 1.00 0.00 C ATOM 0 H MET A 134 -9.805 0.896 -8.628 1.00 0.00 H new ATOM 0 HA MET A 134 -12.314 -0.364 -9.588 1.00 0.00 H new ATOM 0 HB2 MET A 134 -9.531 0.113 -10.805 1.00 0.00 H new ATOM 0 HB3 MET A 134 -10.989 -0.250 -11.706 1.00 0.00 H new ATOM 0 HG2 MET A 134 -12.040 1.858 -10.701 1.00 0.00 H new ATOM 0 HG3 MET A 134 -10.476 2.242 -10.008 1.00 0.00 H new ATOM 0 HE1 MET A 134 -9.798 4.754 -12.611 1.00 0.00 H new ATOM 0 HE2 MET A 134 -11.057 4.528 -11.373 1.00 0.00 H new ATOM 0 HE3 MET A 134 -9.370 4.086 -11.018 1.00 0.00 H new ATOM 2082 N ALA A 135 -10.035 -2.208 -8.471 1.00 0.00 N ATOM 2083 CA ALA A 135 -9.624 -3.629 -8.299 1.00 0.00 C ATOM 2084 C ALA A 135 -9.209 -4.229 -9.646 1.00 0.00 C ATOM 2085 O ALA A 135 -8.219 -3.775 -10.194 1.00 0.00 O ATOM 2086 CB ALA A 135 -10.868 -4.335 -7.756 1.00 0.00 C ATOM 2087 OXT ALA A 135 -9.894 -5.127 -10.107 1.00 0.00 O ATOM 0 H ALA A 135 -9.650 -1.559 -7.785 1.00 0.00 H new ATOM 0 HA ALA A 135 -8.769 -3.735 -7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -10.648 -5.391 -7.601 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -11.159 -3.882 -6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -11.684 -4.235 -8.471 1.00 0.00 H new