USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 995 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 94 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 97 HIS : no HD1:sc= -4.41! C(o=-4.4!,f=-5.5!) USER MOD Set 1.3: A 100 LYS NZ :NH3+ -160:sc= 0.0195 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -158:sc= -0.98 USER MOD Single : A 12 SER OG : rot 104:sc= -1.75 USER MOD Single : A 13 ASN : amide:sc= -2.79! C(o=-2.8!,f=-3.9!) USER MOD Single : A 16 HIS : no HD1:sc= -6.18! C(o=-6.2!,f=-7.9!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.59) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 159:sc= -1.32! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 129:sc= -1.98 USER MOD Single : A 54 THR OG1 : rot -99:sc= 0.907 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 58 GLN : amide:sc= -1.99 K(o=-2,f=-5.8!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -150:sc= -0.428 (180deg=-2.3!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -160:sc= 0.028 USER MOD Single : A 71 SER OG : rot -115:sc= 1.18 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.0209 X(o=-0.021,f=-0.16) USER MOD Single : A 78 CYS SG : rot 60:sc= -1.86 USER MOD Single : A 87 ASN : amide:sc= -0.441 K(o=-0.44,f=-2.3!) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.143 USER MOD Single : A 90 ASN : amide:sc= -0.0694 K(o=-0.069,f=-2.1) USER MOD Single : A 91 THR OG1 : rot 160:sc= -0.746 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.523 K(o=-0.52,f=-2.5!) USER MOD Single : A 107 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0158) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.0501 K(o=-0.05,f=-0.57) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 13:sc= 0.736 USER MOD Single : A 113 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.202) USER MOD Single : A 118 THR OG1 : rot -80:sc= 0.633 USER MOD Single : A 119 HIS : no HD1:sc= -0.511 X(o=-0.51,f=-0.4) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN :FLIP amide:sc= -0.375 F(o=-2.5,f=-0.38) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PRO A 6 9.341 -7.577 1.641 1.00 0.00 N ATOM 98 CA PRO A 6 8.967 -6.434 0.826 1.00 0.00 C ATOM 99 C PRO A 6 8.219 -6.879 -0.433 1.00 0.00 C ATOM 100 O PRO A 6 8.321 -8.033 -0.844 1.00 0.00 O ATOM 101 CB PRO A 6 10.275 -5.723 0.521 1.00 0.00 C ATOM 102 CG PRO A 6 11.373 -6.742 0.779 1.00 0.00 C ATOM 103 CD PRO A 6 10.762 -7.899 1.554 1.00 0.00 C ATOM 0 HA PRO A 6 8.275 -5.763 1.335 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.299 -5.376 -0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.400 -4.845 1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.796 -7.094 -0.162 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.187 -6.291 1.346 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.922 -8.848 1.042 1.00 0.00 H new ATOM 0 HD3 PRO A 6 11.208 -7.992 2.544 1.00 0.00 H new ATOM 111 N LYS A 7 7.485 -5.938 -1.010 1.00 0.00 N ATOM 112 CA LYS A 7 6.722 -6.219 -2.213 1.00 0.00 C ATOM 113 C LYS A 7 6.711 -4.977 -3.106 1.00 0.00 C ATOM 114 O LYS A 7 7.032 -3.879 -2.653 1.00 0.00 O ATOM 115 CB LYS A 7 5.325 -6.730 -1.855 1.00 0.00 C ATOM 116 CG LYS A 7 5.386 -8.162 -1.319 1.00 0.00 C ATOM 117 CD LYS A 7 5.224 -8.186 0.202 1.00 0.00 C ATOM 118 CE LYS A 7 3.751 -8.308 0.595 1.00 0.00 C ATOM 119 NZ LYS A 7 3.624 -8.780 1.992 1.00 0.00 N ATOM 0 H LYS A 7 7.403 -4.981 -0.666 1.00 0.00 H new ATOM 0 HA LYS A 7 7.193 -7.019 -2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.875 -6.077 -1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.684 -6.695 -2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.601 -8.761 -1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.338 -8.617 -1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.785 -9.023 0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.644 -7.276 0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.258 -7.342 0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.246 -9.002 -0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.618 -8.857 2.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.077 -9.712 2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.089 -8.103 2.631 1.00 0.00 H new ATOM 133 N LEU A 8 6.338 -5.191 -4.360 1.00 0.00 N ATOM 134 CA LEU A 8 6.282 -4.102 -5.320 1.00 0.00 C ATOM 135 C LEU A 8 4.823 -3.693 -5.535 1.00 0.00 C ATOM 136 O LEU A 8 3.937 -4.544 -5.591 1.00 0.00 O ATOM 137 CB LEU A 8 7.009 -4.488 -6.610 1.00 0.00 C ATOM 138 CG LEU A 8 8.474 -4.902 -6.457 1.00 0.00 C ATOM 139 CD1 LEU A 8 9.098 -4.258 -5.217 1.00 0.00 C ATOM 140 CD2 LEU A 8 8.615 -6.425 -6.445 1.00 0.00 C ATOM 0 H LEU A 8 6.072 -6.102 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 8 6.806 -3.227 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.467 -5.310 -7.077 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.961 -3.643 -7.297 1.00 0.00 H new ATOM 0 HG LEU A 8 9.026 -4.535 -7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.139 -4.568 -5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.049 -3.173 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.551 -4.574 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.666 -6.692 -6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.047 -6.836 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.233 -6.833 -7.381 1.00 0.00 H new ATOM 152 N LEU A 9 4.619 -2.389 -5.650 1.00 0.00 N ATOM 153 CA LEU A 9 3.283 -1.856 -5.857 1.00 0.00 C ATOM 154 C LEU A 9 3.025 -1.710 -7.358 1.00 0.00 C ATOM 155 O LEU A 9 3.535 -0.787 -7.992 1.00 0.00 O ATOM 156 CB LEU A 9 3.097 -0.556 -5.072 1.00 0.00 C ATOM 157 CG LEU A 9 3.289 -0.655 -3.557 1.00 0.00 C ATOM 158 CD1 LEU A 9 2.409 -1.756 -2.963 1.00 0.00 C ATOM 159 CD2 LEU A 9 4.765 -0.847 -3.202 1.00 0.00 C ATOM 0 H LEU A 9 5.356 -1.686 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 9 2.533 -2.545 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.798 0.183 -5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.094 -0.177 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 9 2.971 0.287 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.565 -1.805 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.362 -1.535 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.672 -2.714 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.873 -0.914 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.133 -1.764 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.342 0.001 -3.572 1.00 0.00 H new ATOM 171 N TYR A 10 2.233 -2.633 -7.882 1.00 0.00 N ATOM 172 CA TYR A 10 1.900 -2.619 -9.297 1.00 0.00 C ATOM 173 C TYR A 10 0.814 -1.583 -9.594 1.00 0.00 C ATOM 174 O TYR A 10 -0.040 -1.314 -8.750 1.00 0.00 O ATOM 175 CB TYR A 10 1.359 -4.014 -9.617 1.00 0.00 C ATOM 176 CG TYR A 10 1.162 -4.277 -11.111 1.00 0.00 C ATOM 177 CD1 TYR A 10 2.236 -4.195 -11.973 1.00 0.00 C ATOM 178 CD2 TYR A 10 -0.090 -4.595 -11.597 1.00 0.00 C ATOM 179 CE1 TYR A 10 2.051 -4.443 -13.380 1.00 0.00 C ATOM 180 CE2 TYR A 10 -0.276 -4.843 -13.003 1.00 0.00 C ATOM 181 CZ TYR A 10 0.804 -4.755 -13.825 1.00 0.00 C ATOM 182 OH TYR A 10 0.629 -4.988 -15.154 1.00 0.00 O ATOM 0 H TYR A 10 1.812 -3.396 -7.352 1.00 0.00 H new ATOM 0 HA TYR A 10 2.775 -2.363 -9.895 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.045 -4.760 -9.215 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.406 -4.149 -9.106 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.216 -3.945 -11.593 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.931 -4.658 -10.922 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.883 -4.383 -14.066 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.250 -5.093 -13.396 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.312 -5.200 -15.328 1.00 0.00 H new ATOM 192 N CYS A 11 0.882 -1.029 -10.796 1.00 0.00 N ATOM 193 CA CYS A 11 -0.084 -0.029 -11.215 1.00 0.00 C ATOM 194 C CYS A 11 -0.548 -0.373 -12.632 1.00 0.00 C ATOM 195 O CYS A 11 -0.128 0.261 -13.598 1.00 0.00 O ATOM 196 CB CYS A 11 0.493 1.386 -11.132 1.00 0.00 C ATOM 197 SG CYS A 11 -0.795 2.614 -11.558 1.00 0.00 S ATOM 0 H CYS A 11 1.592 -1.254 -11.493 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.940 -0.042 -10.540 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.869 1.576 -10.127 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.339 1.483 -11.813 1.00 0.00 H new ATOM 0 HG CYS A 11 -0.230 3.723 -11.933 1.00 0.00 H new ATOM 203 N SER A 12 -1.410 -1.377 -12.710 1.00 0.00 N ATOM 204 CA SER A 12 -1.936 -1.813 -13.993 1.00 0.00 C ATOM 205 C SER A 12 -2.160 -0.605 -14.905 1.00 0.00 C ATOM 206 O SER A 12 -2.009 -0.705 -16.121 1.00 0.00 O ATOM 207 CB SER A 12 -3.240 -2.594 -13.816 1.00 0.00 C ATOM 208 OG SER A 12 -4.258 -2.139 -14.703 1.00 0.00 O ATOM 0 H SER A 12 -1.757 -1.901 -11.906 1.00 0.00 H new ATOM 0 HA SER A 12 -1.206 -2.477 -14.455 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.054 -3.654 -13.990 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.585 -2.495 -12.787 1.00 0.00 H new ATOM 0 HG SER A 12 -4.360 -2.778 -15.439 1.00 0.00 H new ATOM 214 N ASN A 13 -2.516 0.509 -14.281 1.00 0.00 N ATOM 215 CA ASN A 13 -2.762 1.735 -15.022 1.00 0.00 C ATOM 216 C ASN A 13 -1.658 1.927 -16.063 1.00 0.00 C ATOM 217 O ASN A 13 -1.940 2.166 -17.236 1.00 0.00 O ATOM 218 CB ASN A 13 -2.753 2.950 -14.093 1.00 0.00 C ATOM 219 CG ASN A 13 -3.829 3.959 -14.500 1.00 0.00 C ATOM 220 OD1 ASN A 13 -4.762 3.653 -15.224 1.00 0.00 O ATOM 221 ND2 ASN A 13 -3.648 5.176 -13.995 1.00 0.00 N ATOM 0 H ASN A 13 -2.640 0.588 -13.272 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.739 1.652 -15.498 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.921 2.628 -13.065 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.773 3.427 -14.121 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.312 5.920 -14.207 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.845 5.365 -13.395 1.00 0.00 H new ATOM 228 N GLY A 14 -0.423 1.816 -15.596 1.00 0.00 N ATOM 229 CA GLY A 14 0.726 1.975 -16.472 1.00 0.00 C ATOM 230 C GLY A 14 1.627 0.739 -16.424 1.00 0.00 C ATOM 231 O GLY A 14 2.192 0.339 -17.441 1.00 0.00 O ATOM 0 H GLY A 14 -0.193 1.618 -14.622 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.388 2.143 -17.494 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.295 2.856 -16.175 1.00 0.00 H new ATOM 235 N GLY A 15 1.733 0.169 -15.233 1.00 0.00 N ATOM 236 CA GLY A 15 2.555 -1.013 -15.040 1.00 0.00 C ATOM 237 C GLY A 15 3.959 -0.632 -14.565 1.00 0.00 C ATOM 238 O GLY A 15 4.921 -0.719 -15.327 1.00 0.00 O ATOM 0 H GLY A 15 1.263 0.504 -14.392 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.086 -1.671 -14.309 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.622 -1.571 -15.974 1.00 0.00 H new ATOM 242 N HIS A 16 4.033 -0.219 -13.309 1.00 0.00 N ATOM 243 CA HIS A 16 5.303 0.175 -12.724 1.00 0.00 C ATOM 244 C HIS A 16 5.249 -0.011 -11.206 1.00 0.00 C ATOM 245 O HIS A 16 4.171 -0.165 -10.634 1.00 0.00 O ATOM 246 CB HIS A 16 5.670 1.603 -13.133 1.00 0.00 C ATOM 247 CG HIS A 16 5.740 1.815 -14.626 1.00 0.00 C ATOM 248 ND1 HIS A 16 4.614 1.872 -15.429 1.00 0.00 N ATOM 249 CD2 HIS A 16 6.812 1.984 -15.453 1.00 0.00 C ATOM 250 CE1 HIS A 16 5.003 2.066 -16.681 1.00 0.00 C ATOM 251 NE2 HIS A 16 6.365 2.135 -16.694 1.00 0.00 N ATOM 0 H HIS A 16 3.234 -0.149 -12.680 1.00 0.00 H new ATOM 0 HA HIS A 16 6.097 -0.466 -13.106 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.936 2.290 -12.713 1.00 0.00 H new ATOM 0 HB3 HIS A 16 6.634 1.859 -12.694 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.848 1.993 -15.150 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.355 2.154 -17.540 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.945 2.279 -17.521 1.00 0.00 H new ATOM 259 N PHE A 17 6.425 0.009 -10.597 1.00 0.00 N ATOM 260 CA PHE A 17 6.526 -0.156 -9.157 1.00 0.00 C ATOM 261 C PHE A 17 6.890 1.166 -8.478 1.00 0.00 C ATOM 262 O PHE A 17 7.669 1.951 -9.016 1.00 0.00 O ATOM 263 CB PHE A 17 7.640 -1.172 -8.900 1.00 0.00 C ATOM 264 CG PHE A 17 7.328 -2.581 -9.409 1.00 0.00 C ATOM 265 CD1 PHE A 17 6.051 -3.048 -9.377 1.00 0.00 C ATOM 266 CD2 PHE A 17 8.327 -3.366 -9.893 1.00 0.00 C ATOM 267 CE1 PHE A 17 5.761 -4.355 -9.849 1.00 0.00 C ATOM 268 CE2 PHE A 17 8.037 -4.673 -10.365 1.00 0.00 C ATOM 269 CZ PHE A 17 6.760 -5.140 -10.333 1.00 0.00 C ATOM 0 H PHE A 17 7.317 0.137 -11.075 1.00 0.00 H new ATOM 0 HA PHE A 17 5.570 -0.490 -8.753 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.555 -0.820 -9.375 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.835 -1.219 -7.829 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.258 -2.424 -8.992 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.341 -2.995 -9.918 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.747 -4.726 -9.824 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.830 -5.297 -10.750 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.540 -6.134 -10.692 1.00 0.00 H new ATOM 279 N LEU A 18 6.308 1.371 -7.305 1.00 0.00 N ATOM 280 CA LEU A 18 6.562 2.585 -6.547 1.00 0.00 C ATOM 281 C LEU A 18 7.929 2.480 -5.868 1.00 0.00 C ATOM 282 O LEU A 18 8.175 1.553 -5.099 1.00 0.00 O ATOM 283 CB LEU A 18 5.412 2.859 -5.575 1.00 0.00 C ATOM 284 CG LEU A 18 5.321 4.286 -5.031 1.00 0.00 C ATOM 285 CD1 LEU A 18 4.886 5.263 -6.125 1.00 0.00 C ATOM 286 CD2 LEU A 18 4.403 4.349 -3.808 1.00 0.00 C ATOM 0 H LEU A 18 5.662 0.718 -6.861 1.00 0.00 H new ATOM 0 HA LEU A 18 6.601 3.448 -7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.474 2.622 -6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.504 2.175 -4.732 1.00 0.00 H new ATOM 0 HG LEU A 18 6.315 4.591 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.829 6.270 -5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.611 5.245 -6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.907 4.971 -6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.356 5.374 -3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.403 4.017 -4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.796 3.701 -3.025 1.00 0.00 H new ATOM 298 N ARG A 19 8.783 3.445 -6.177 1.00 0.00 N ATOM 299 CA ARG A 19 10.119 3.473 -5.607 1.00 0.00 C ATOM 300 C ARG A 19 10.362 4.803 -4.890 1.00 0.00 C ATOM 301 O ARG A 19 9.746 5.814 -5.224 1.00 0.00 O ATOM 302 CB ARG A 19 11.184 3.283 -6.689 1.00 0.00 C ATOM 303 CG ARG A 19 11.549 4.619 -7.340 1.00 0.00 C ATOM 304 CD ARG A 19 12.266 4.401 -8.674 1.00 0.00 C ATOM 305 NE ARG A 19 13.718 4.637 -8.512 1.00 0.00 N ATOM 306 CZ ARG A 19 14.541 4.970 -9.516 1.00 0.00 C ATOM 307 NH1 ARG A 19 14.060 5.108 -10.759 1.00 0.00 N ATOM 308 NH2 ARG A 19 15.845 5.165 -9.277 1.00 0.00 N ATOM 0 H ARG A 19 8.575 4.213 -6.815 1.00 0.00 H new ATOM 0 HA ARG A 19 10.192 2.652 -4.893 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.075 2.832 -6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.817 2.593 -7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.646 5.208 -7.500 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.189 5.192 -6.669 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.092 3.385 -9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.861 5.076 -9.428 1.00 0.00 H new ATOM 0 HE ARG A 19 14.117 4.540 -7.578 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.067 4.960 -10.941 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.686 5.361 -11.523 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.211 5.060 -8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.471 5.418 -10.041 1.00 0.00 H new ATOM 322 N ILE A 20 11.261 4.759 -3.918 1.00 0.00 N ATOM 323 CA ILE A 20 11.593 5.947 -3.151 1.00 0.00 C ATOM 324 C ILE A 20 13.102 6.192 -3.225 1.00 0.00 C ATOM 325 O ILE A 20 13.890 5.389 -2.726 1.00 0.00 O ATOM 326 CB ILE A 20 11.058 5.830 -1.722 1.00 0.00 C ATOM 327 CG1 ILE A 20 9.547 5.590 -1.721 1.00 0.00 C ATOM 328 CG2 ILE A 20 11.446 7.054 -0.890 1.00 0.00 C ATOM 329 CD1 ILE A 20 9.017 5.443 -0.293 1.00 0.00 C ATOM 0 H ILE A 20 11.770 3.919 -3.644 1.00 0.00 H new ATOM 0 HA ILE A 20 11.106 6.824 -3.578 1.00 0.00 H new ATOM 0 HB ILE A 20 11.522 4.962 -1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.043 6.420 -2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.317 4.691 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.054 6.946 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.532 7.138 -0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 20 11.029 7.952 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.941 5.273 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.506 4.597 0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 20 9.227 6.353 0.268 1.00 0.00 H new ATOM 341 N LEU A 21 13.459 7.304 -3.851 1.00 0.00 N ATOM 342 CA LEU A 21 14.859 7.664 -3.996 1.00 0.00 C ATOM 343 C LEU A 21 15.389 8.183 -2.658 1.00 0.00 C ATOM 344 O LEU A 21 14.618 8.642 -1.816 1.00 0.00 O ATOM 345 CB LEU A 21 15.042 8.648 -5.153 1.00 0.00 C ATOM 346 CG LEU A 21 14.317 8.296 -6.453 1.00 0.00 C ATOM 347 CD1 LEU A 21 14.501 9.398 -7.499 1.00 0.00 C ATOM 348 CD2 LEU A 21 14.761 6.929 -6.977 1.00 0.00 C ATOM 0 H LEU A 21 12.803 7.967 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 21 15.453 6.788 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.702 9.631 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.108 8.734 -5.366 1.00 0.00 H new ATOM 0 HG LEU A 21 13.250 8.228 -6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.976 9.123 -8.414 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.096 10.335 -7.116 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.562 9.522 -7.714 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.230 6.704 -7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.834 6.944 -7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.536 6.164 -6.234 1.00 0.00 H new ATOM 360 N PRO A 22 16.737 8.090 -2.499 1.00 0.00 N ATOM 361 CA PRO A 22 17.379 8.545 -1.277 1.00 0.00 C ATOM 362 C PRO A 22 17.443 10.073 -1.227 1.00 0.00 C ATOM 363 O PRO A 22 17.908 10.647 -0.244 1.00 0.00 O ATOM 364 CB PRO A 22 18.752 7.893 -1.289 1.00 0.00 C ATOM 365 CG PRO A 22 19.004 7.476 -2.728 1.00 0.00 C ATOM 366 CD PRO A 22 17.681 7.553 -3.474 1.00 0.00 C ATOM 0 HA PRO A 22 16.826 8.263 -0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 22 19.517 8.588 -0.944 1.00 0.00 H new ATOM 0 HB3 PRO A 22 18.781 7.031 -0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 22 19.742 8.130 -3.191 1.00 0.00 H new ATOM 0 HG3 PRO A 22 19.406 6.464 -2.767 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.757 8.198 -4.349 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.368 6.571 -3.829 1.00 0.00 H new ATOM 374 N ASP A 23 16.970 10.689 -2.301 1.00 0.00 N ATOM 375 CA ASP A 23 16.967 12.139 -2.392 1.00 0.00 C ATOM 376 C ASP A 23 15.614 12.673 -1.919 1.00 0.00 C ATOM 377 O ASP A 23 15.474 13.864 -1.646 1.00 0.00 O ATOM 378 CB ASP A 23 17.179 12.600 -3.835 1.00 0.00 C ATOM 379 CG ASP A 23 17.465 14.094 -4.001 1.00 0.00 C ATOM 380 OD1 ASP A 23 18.654 14.461 -3.878 1.00 0.00 O ATOM 381 OD2 ASP A 23 16.489 14.835 -4.247 1.00 0.00 O ATOM 0 H ASP A 23 16.586 10.210 -3.116 1.00 0.00 H new ATOM 0 HA ASP A 23 17.778 12.518 -1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 23 18.009 12.037 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.291 12.349 -4.415 1.00 0.00 H new ATOM 386 N GLY A 24 14.652 11.766 -1.835 1.00 0.00 N ATOM 387 CA GLY A 24 13.315 12.131 -1.399 1.00 0.00 C ATOM 388 C GLY A 24 12.364 12.253 -2.591 1.00 0.00 C ATOM 389 O GLY A 24 11.533 13.159 -2.637 1.00 0.00 O ATOM 0 H GLY A 24 14.772 10.779 -2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.938 11.381 -0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.350 13.077 -0.859 1.00 0.00 H new ATOM 393 N THR A 25 12.517 11.327 -3.527 1.00 0.00 N ATOM 394 CA THR A 25 11.682 11.320 -4.716 1.00 0.00 C ATOM 395 C THR A 25 10.908 10.005 -4.816 1.00 0.00 C ATOM 396 O THR A 25 11.396 8.959 -4.391 1.00 0.00 O ATOM 397 CB THR A 25 12.580 11.590 -5.926 1.00 0.00 C ATOM 398 OG1 THR A 25 12.865 12.983 -5.843 1.00 0.00 O ATOM 399 CG2 THR A 25 11.834 11.440 -7.253 1.00 0.00 C ATOM 0 H THR A 25 13.207 10.577 -3.486 1.00 0.00 H new ATOM 0 HA THR A 25 10.926 12.104 -4.673 1.00 0.00 H new ATOM 0 HB THR A 25 13.429 10.907 -5.908 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.444 13.243 -6.589 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.516 11.642 -8.079 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.449 10.424 -7.341 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.005 12.147 -7.286 1.00 0.00 H new ATOM 407 N VAL A 26 9.712 10.100 -5.379 1.00 0.00 N ATOM 408 CA VAL A 26 8.865 8.930 -5.540 1.00 0.00 C ATOM 409 C VAL A 26 8.339 8.881 -6.976 1.00 0.00 C ATOM 410 O VAL A 26 7.606 9.772 -7.403 1.00 0.00 O ATOM 411 CB VAL A 26 7.749 8.945 -4.494 1.00 0.00 C ATOM 412 CG1 VAL A 26 7.112 7.561 -4.352 1.00 0.00 C ATOM 413 CG2 VAL A 26 8.267 9.451 -3.146 1.00 0.00 C ATOM 0 H VAL A 26 9.309 10.969 -5.729 1.00 0.00 H new ATOM 0 HA VAL A 26 9.437 8.017 -5.372 1.00 0.00 H new ATOM 0 HB VAL A 26 6.978 9.635 -4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.322 7.599 -3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.690 7.255 -5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.870 6.841 -4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.453 9.452 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.066 8.798 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.651 10.465 -3.261 1.00 0.00 H new ATOM 423 N ASP A 27 8.732 7.830 -7.680 1.00 0.00 N ATOM 424 CA ASP A 27 8.309 7.653 -9.059 1.00 0.00 C ATOM 425 C ASP A 27 8.191 6.158 -9.363 1.00 0.00 C ATOM 426 O ASP A 27 8.741 5.328 -8.640 1.00 0.00 O ATOM 427 CB ASP A 27 9.327 8.254 -10.030 1.00 0.00 C ATOM 428 CG ASP A 27 10.707 8.531 -9.429 1.00 0.00 C ATOM 429 OD1 ASP A 27 11.362 7.543 -9.033 1.00 0.00 O ATOM 430 OD2 ASP A 27 11.075 9.725 -9.381 1.00 0.00 O ATOM 0 H ASP A 27 9.339 7.092 -7.322 1.00 0.00 H new ATOM 0 HA ASP A 27 7.351 8.157 -9.185 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.445 7.576 -10.875 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.924 9.187 -10.424 1.00 0.00 H new ATOM 435 N GLY A 28 7.471 5.860 -10.435 1.00 0.00 N ATOM 436 CA GLY A 28 7.274 4.480 -10.844 1.00 0.00 C ATOM 437 C GLY A 28 8.460 3.978 -11.669 1.00 0.00 C ATOM 438 O GLY A 28 9.200 4.773 -12.247 1.00 0.00 O ATOM 0 H GLY A 28 7.017 6.551 -11.033 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.147 3.851 -9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.358 4.398 -11.430 1.00 0.00 H new ATOM 442 N THR A 29 8.605 2.661 -11.699 1.00 0.00 N ATOM 443 CA THR A 29 9.689 2.044 -12.444 1.00 0.00 C ATOM 444 C THR A 29 9.343 0.593 -12.785 1.00 0.00 C ATOM 445 O THR A 29 8.901 -0.163 -11.921 1.00 0.00 O ATOM 446 CB THR A 29 10.970 2.185 -11.620 1.00 0.00 C ATOM 447 OG1 THR A 29 12.015 1.967 -12.563 1.00 0.00 O ATOM 448 CG2 THR A 29 11.141 1.053 -10.605 1.00 0.00 C ATOM 0 H THR A 29 7.989 2.004 -11.219 1.00 0.00 H new ATOM 0 HA THR A 29 9.845 2.542 -13.401 1.00 0.00 H new ATOM 0 HB THR A 29 10.962 3.142 -11.098 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.882 2.042 -12.113 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.065 1.201 -10.047 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.297 1.052 -9.915 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.183 0.098 -11.129 1.00 0.00 H new ATOM 456 N ARG A 30 9.557 0.248 -14.046 1.00 0.00 N ATOM 457 CA ARG A 30 9.273 -1.099 -14.512 1.00 0.00 C ATOM 458 C ARG A 30 10.575 -1.876 -14.714 1.00 0.00 C ATOM 459 O ARG A 30 10.774 -2.501 -15.754 1.00 0.00 O ATOM 460 CB ARG A 30 8.493 -1.074 -15.828 1.00 0.00 C ATOM 461 CG ARG A 30 7.456 -2.198 -15.872 1.00 0.00 C ATOM 462 CD ARG A 30 6.749 -2.240 -17.228 1.00 0.00 C ATOM 463 NE ARG A 30 5.773 -3.352 -17.257 1.00 0.00 N ATOM 464 CZ ARG A 30 5.324 -3.928 -18.380 1.00 0.00 C ATOM 465 NH1 ARG A 30 5.761 -3.502 -19.573 1.00 0.00 N ATOM 466 NH2 ARG A 30 4.439 -4.932 -18.310 1.00 0.00 N ATOM 0 H ARG A 30 9.924 0.878 -14.760 1.00 0.00 H new ATOM 0 HA ARG A 30 8.666 -1.591 -13.752 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.996 -0.111 -15.942 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.183 -1.178 -16.666 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.943 -3.154 -15.682 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.722 -2.051 -15.080 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.240 -1.294 -17.411 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.481 -2.367 -18.025 1.00 0.00 H new ATOM 0 HE ARG A 30 5.420 -3.702 -16.366 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.436 -2.739 -19.626 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.419 -3.941 -20.428 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.108 -5.257 -17.402 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.097 -5.371 -19.165 1.00 0.00 H new ATOM 480 N ASP A 31 11.429 -1.811 -13.703 1.00 0.00 N ATOM 481 CA ASP A 31 12.707 -2.501 -13.756 1.00 0.00 C ATOM 482 C ASP A 31 13.009 -3.113 -12.387 1.00 0.00 C ATOM 483 O ASP A 31 13.487 -2.424 -11.487 1.00 0.00 O ATOM 484 CB ASP A 31 13.840 -1.534 -14.103 1.00 0.00 C ATOM 485 CG ASP A 31 14.801 -2.025 -15.187 1.00 0.00 C ATOM 486 OD1 ASP A 31 14.294 -2.406 -16.264 1.00 0.00 O ATOM 487 OD2 ASP A 31 16.021 -2.008 -14.915 1.00 0.00 O ATOM 0 H ASP A 31 11.261 -1.291 -12.842 1.00 0.00 H new ATOM 0 HA ASP A 31 12.643 -3.272 -14.524 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.404 -0.589 -14.426 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.412 -1.328 -13.198 1.00 0.00 H new ATOM 492 N ARG A 32 12.718 -4.400 -12.273 1.00 0.00 N ATOM 493 CA ARG A 32 12.952 -5.113 -11.028 1.00 0.00 C ATOM 494 C ARG A 32 14.386 -4.881 -10.546 1.00 0.00 C ATOM 495 O ARG A 32 14.627 -4.747 -9.348 1.00 0.00 O ATOM 496 CB ARG A 32 12.716 -6.615 -11.201 1.00 0.00 C ATOM 497 CG ARG A 32 11.233 -6.913 -11.428 1.00 0.00 C ATOM 498 CD ARG A 32 10.768 -8.080 -10.553 1.00 0.00 C ATOM 499 NE ARG A 32 10.317 -9.203 -11.405 1.00 0.00 N ATOM 500 CZ ARG A 32 11.142 -10.089 -11.979 1.00 0.00 C ATOM 501 NH1 ARG A 32 12.465 -9.989 -11.797 1.00 0.00 N ATOM 502 NH2 ARG A 32 10.643 -11.076 -12.737 1.00 0.00 N ATOM 0 H ARG A 32 12.322 -4.968 -13.022 1.00 0.00 H new ATOM 0 HA ARG A 32 12.249 -4.729 -10.288 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.298 -6.984 -12.045 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.066 -7.146 -10.316 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.641 -6.026 -11.202 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.063 -7.151 -12.478 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.582 -8.407 -9.906 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.955 -7.757 -9.903 1.00 0.00 H new ATOM 0 HE ARG A 32 9.315 -9.309 -11.565 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.845 -9.238 -11.221 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.092 -10.664 -12.234 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.635 -11.152 -12.877 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.271 -11.751 -13.174 1.00 0.00 H new ATOM 516 N SER A 33 15.300 -4.842 -11.505 1.00 0.00 N ATOM 517 CA SER A 33 16.703 -4.629 -11.193 1.00 0.00 C ATOM 518 C SER A 33 16.839 -3.593 -10.075 1.00 0.00 C ATOM 519 O SER A 33 17.724 -3.703 -9.228 1.00 0.00 O ATOM 520 CB SER A 33 17.480 -4.179 -12.432 1.00 0.00 C ATOM 521 OG SER A 33 18.776 -4.769 -12.493 1.00 0.00 O ATOM 0 H SER A 33 15.096 -4.954 -12.498 1.00 0.00 H new ATOM 0 HA SER A 33 17.126 -5.575 -10.856 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.919 -4.444 -13.328 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.576 -3.093 -12.425 1.00 0.00 H new ATOM 0 HG SER A 33 19.239 -4.458 -13.299 1.00 0.00 H new ATOM 527 N ASP A 34 15.950 -2.612 -10.110 1.00 0.00 N ATOM 528 CA ASP A 34 15.960 -1.558 -9.110 1.00 0.00 C ATOM 529 C ASP A 34 15.826 -2.179 -7.718 1.00 0.00 C ATOM 530 O ASP A 34 15.006 -3.072 -7.509 1.00 0.00 O ATOM 531 CB ASP A 34 14.788 -0.595 -9.313 1.00 0.00 C ATOM 532 CG ASP A 34 14.780 0.620 -8.383 1.00 0.00 C ATOM 533 OD1 ASP A 34 15.697 0.692 -7.536 1.00 0.00 O ATOM 534 OD2 ASP A 34 13.859 1.449 -8.540 1.00 0.00 O ATOM 0 H ASP A 34 15.218 -2.525 -10.815 1.00 0.00 H new ATOM 0 HA ASP A 34 16.898 -1.011 -9.207 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.801 -0.244 -10.345 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.857 -1.145 -9.175 1.00 0.00 H new ATOM 539 N GLN A 35 16.645 -1.683 -6.803 1.00 0.00 N ATOM 540 CA GLN A 35 16.629 -2.178 -5.437 1.00 0.00 C ATOM 541 C GLN A 35 15.980 -1.151 -4.507 1.00 0.00 C ATOM 542 O GLN A 35 15.782 -1.417 -3.323 1.00 0.00 O ATOM 543 CB GLN A 35 18.041 -2.530 -4.964 1.00 0.00 C ATOM 544 CG GLN A 35 18.643 -3.647 -5.819 1.00 0.00 C ATOM 545 CD GLN A 35 18.240 -5.023 -5.285 1.00 0.00 C ATOM 546 OE1 GLN A 35 17.307 -5.652 -5.757 1.00 0.00 O ATOM 547 NE2 GLN A 35 18.994 -5.454 -4.278 1.00 0.00 N ATOM 0 H GLN A 35 17.324 -0.943 -6.981 1.00 0.00 H new ATOM 0 HA GLN A 35 16.034 -3.091 -5.410 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.676 -1.646 -5.015 1.00 0.00 H new ATOM 0 HB3 GLN A 35 18.012 -2.842 -3.920 1.00 0.00 H new ATOM 0 HG2 GLN A 35 18.308 -3.541 -6.851 1.00 0.00 H new ATOM 0 HG3 GLN A 35 19.729 -3.559 -5.826 1.00 0.00 H new ATOM 0 HE21 GLN A 35 19.760 -4.877 -3.931 1.00 0.00 H new ATOM 0 HE22 GLN A 35 18.806 -6.362 -3.853 1.00 0.00 H new ATOM 556 N HIS A 36 15.666 0.003 -5.079 1.00 0.00 N ATOM 557 CA HIS A 36 15.044 1.071 -4.316 1.00 0.00 C ATOM 558 C HIS A 36 13.522 0.918 -4.366 1.00 0.00 C ATOM 559 O HIS A 36 12.795 1.719 -3.781 1.00 0.00 O ATOM 560 CB HIS A 36 15.519 2.439 -4.811 1.00 0.00 C ATOM 561 CG HIS A 36 16.994 2.689 -4.603 1.00 0.00 C ATOM 562 ND1 HIS A 36 17.976 1.920 -5.202 1.00 0.00 N ATOM 563 CD2 HIS A 36 17.642 3.630 -3.858 1.00 0.00 C ATOM 564 CE1 HIS A 36 19.158 2.385 -4.827 1.00 0.00 C ATOM 565 NE2 HIS A 36 18.949 3.445 -3.994 1.00 0.00 N ATOM 0 H HIS A 36 15.831 0.221 -6.062 1.00 0.00 H new ATOM 0 HA HIS A 36 15.347 1.002 -3.271 1.00 0.00 H new ATOM 0 HB2 HIS A 36 15.292 2.528 -5.873 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.953 3.216 -4.298 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.171 4.396 -3.259 1.00 0.00 H new ATOM 0 HE1 HIS A 36 20.119 1.994 -5.128 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.677 4.003 -3.549 1.00 0.00 H new ATOM 573 N ILE A 37 13.086 -0.115 -5.071 1.00 0.00 N ATOM 574 CA ILE A 37 11.665 -0.384 -5.206 1.00 0.00 C ATOM 575 C ILE A 37 11.228 -1.358 -4.110 1.00 0.00 C ATOM 576 O ILE A 37 10.050 -1.418 -3.761 1.00 0.00 O ATOM 577 CB ILE A 37 11.342 -0.865 -6.621 1.00 0.00 C ATOM 578 CG1 ILE A 37 12.208 -2.067 -7.002 1.00 0.00 C ATOM 579 CG2 ILE A 37 11.469 0.277 -7.632 1.00 0.00 C ATOM 580 CD1 ILE A 37 11.573 -2.860 -8.147 1.00 0.00 C ATOM 0 H ILE A 37 13.693 -0.777 -5.555 1.00 0.00 H new ATOM 0 HA ILE A 37 11.090 0.531 -5.067 1.00 0.00 H new ATOM 0 HB ILE A 37 10.304 -1.197 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 37 13.200 -1.726 -7.298 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.339 -2.715 -6.135 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.234 -0.093 -8.630 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.775 1.075 -7.368 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.488 0.663 -7.619 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.209 -3.709 -8.398 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.591 -3.220 -7.839 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.466 -2.216 -9.020 1.00 0.00 H new ATOM 592 N GLN A 38 12.202 -2.097 -3.597 1.00 0.00 N ATOM 593 CA GLN A 38 11.933 -3.065 -2.548 1.00 0.00 C ATOM 594 C GLN A 38 11.371 -2.364 -1.310 1.00 0.00 C ATOM 595 O GLN A 38 12.124 -1.951 -0.430 1.00 0.00 O ATOM 596 CB GLN A 38 13.192 -3.863 -2.202 1.00 0.00 C ATOM 597 CG GLN A 38 13.400 -5.013 -3.189 1.00 0.00 C ATOM 598 CD GLN A 38 14.590 -5.881 -2.776 1.00 0.00 C ATOM 599 OE1 GLN A 38 15.738 -5.585 -3.065 1.00 0.00 O ATOM 600 NE2 GLN A 38 14.254 -6.967 -2.085 1.00 0.00 N ATOM 0 H GLN A 38 13.178 -2.044 -3.889 1.00 0.00 H new ATOM 0 HA GLN A 38 11.185 -3.769 -2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.060 -3.204 -2.217 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.110 -4.258 -1.190 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.499 -5.624 -3.236 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.567 -4.613 -4.189 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.273 -7.156 -1.877 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.977 -7.611 -1.763 1.00 0.00 H new ATOM 609 N LEU A 39 10.051 -2.251 -1.281 1.00 0.00 N ATOM 610 CA LEU A 39 9.379 -1.608 -0.165 1.00 0.00 C ATOM 611 C LEU A 39 8.856 -2.677 0.796 1.00 0.00 C ATOM 612 O LEU A 39 8.458 -3.760 0.368 1.00 0.00 O ATOM 613 CB LEU A 39 8.296 -0.652 -0.670 1.00 0.00 C ATOM 614 CG LEU A 39 8.791 0.590 -1.414 1.00 0.00 C ATOM 615 CD1 LEU A 39 7.618 1.451 -1.884 1.00 0.00 C ATOM 616 CD2 LEU A 39 9.778 1.385 -0.557 1.00 0.00 C ATOM 0 H LEU A 39 9.429 -2.594 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 39 10.080 -0.991 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.630 -1.206 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.700 -0.327 0.183 1.00 0.00 H new ATOM 0 HG LEU A 39 9.328 0.263 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.997 2.327 -2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.986 0.870 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.033 1.771 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.115 2.263 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.288 1.701 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.636 0.758 -0.314 1.00 0.00 H new ATOM 628 N GLN A 40 8.873 -2.337 2.076 1.00 0.00 N ATOM 629 CA GLN A 40 8.405 -3.254 3.101 1.00 0.00 C ATOM 630 C GLN A 40 7.038 -2.811 3.626 1.00 0.00 C ATOM 631 O GLN A 40 6.918 -1.751 4.238 1.00 0.00 O ATOM 632 CB GLN A 40 9.420 -3.367 4.240 1.00 0.00 C ATOM 633 CG GLN A 40 9.905 -1.985 4.682 1.00 0.00 C ATOM 634 CD GLN A 40 10.034 -1.910 6.204 1.00 0.00 C ATOM 635 OE1 GLN A 40 9.101 -1.581 6.917 1.00 0.00 O ATOM 636 NE2 GLN A 40 11.241 -2.232 6.661 1.00 0.00 N ATOM 0 H GLN A 40 9.204 -1.438 2.427 1.00 0.00 H new ATOM 0 HA GLN A 40 8.297 -4.243 2.655 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.967 -3.885 5.085 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.270 -3.968 3.916 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.869 -1.769 4.221 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.208 -1.223 4.335 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.979 -2.499 6.009 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.429 -2.212 7.663 1.00 0.00 H new ATOM 645 N LEU A 41 6.042 -3.646 3.369 1.00 0.00 N ATOM 646 CA LEU A 41 4.688 -3.353 3.808 1.00 0.00 C ATOM 647 C LEU A 41 4.444 -4.012 5.167 1.00 0.00 C ATOM 648 O LEU A 41 4.820 -5.164 5.380 1.00 0.00 O ATOM 649 CB LEU A 41 3.676 -3.763 2.736 1.00 0.00 C ATOM 650 CG LEU A 41 3.469 -2.767 1.593 1.00 0.00 C ATOM 651 CD1 LEU A 41 4.200 -3.224 0.329 1.00 0.00 C ATOM 652 CD2 LEU A 41 1.980 -2.526 1.339 1.00 0.00 C ATOM 0 H LEU A 41 6.145 -4.525 2.862 1.00 0.00 H new ATOM 0 HA LEU A 41 4.556 -2.280 3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.994 -4.714 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.714 -3.936 3.219 1.00 0.00 H new ATOM 0 HG LEU A 41 3.904 -1.812 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.037 -2.499 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.268 -3.303 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.817 -4.196 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.861 -1.814 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.499 -3.467 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.517 -2.124 2.240 1.00 0.00 H new ATOM 664 N SER A 42 3.816 -3.252 6.053 1.00 0.00 N ATOM 665 CA SER A 42 3.518 -3.747 7.386 1.00 0.00 C ATOM 666 C SER A 42 2.104 -3.330 7.795 1.00 0.00 C ATOM 667 O SER A 42 1.540 -2.396 7.227 1.00 0.00 O ATOM 668 CB SER A 42 4.538 -3.234 8.405 1.00 0.00 C ATOM 669 OG SER A 42 5.860 -3.220 7.875 1.00 0.00 O ATOM 0 H SER A 42 3.506 -2.297 5.873 1.00 0.00 H new ATOM 0 HA SER A 42 3.578 -4.835 7.368 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.262 -2.227 8.719 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.510 -3.864 9.294 1.00 0.00 H new ATOM 0 HG SER A 42 6.481 -2.885 8.555 1.00 0.00 H new ATOM 675 N ALA A 43 1.571 -4.043 8.776 1.00 0.00 N ATOM 676 CA ALA A 43 0.234 -3.759 9.267 1.00 0.00 C ATOM 677 C ALA A 43 0.306 -3.400 10.753 1.00 0.00 C ATOM 678 O ALA A 43 0.829 -4.171 11.556 1.00 0.00 O ATOM 679 CB ALA A 43 -0.674 -4.961 9.001 1.00 0.00 C ATOM 0 H ALA A 43 2.042 -4.817 9.244 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.194 -2.905 8.742 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.677 -4.748 9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.715 -5.156 7.929 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.278 -5.837 9.514 1.00 0.00 H new ATOM 685 N GLU A 44 -0.227 -2.231 11.073 1.00 0.00 N ATOM 686 CA GLU A 44 -0.229 -1.761 12.448 1.00 0.00 C ATOM 687 C GLU A 44 -1.600 -1.994 13.087 1.00 0.00 C ATOM 688 O GLU A 44 -1.690 -2.510 14.200 1.00 0.00 O ATOM 689 CB GLU A 44 0.166 -0.285 12.524 1.00 0.00 C ATOM 690 CG GLU A 44 -0.662 0.452 13.579 1.00 0.00 C ATOM 691 CD GLU A 44 0.031 1.745 14.015 1.00 0.00 C ATOM 692 OE1 GLU A 44 1.182 1.639 14.491 1.00 0.00 O ATOM 693 OE2 GLU A 44 -0.607 2.809 13.863 1.00 0.00 O ATOM 0 H GLU A 44 -0.661 -1.595 10.404 1.00 0.00 H new ATOM 0 HA GLU A 44 0.513 -2.331 13.007 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.226 -0.201 12.765 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.022 0.184 11.551 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.649 0.682 13.177 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.813 -0.194 14.444 1.00 0.00 H new ATOM 700 N SER A 45 -2.633 -1.603 12.355 1.00 0.00 N ATOM 701 CA SER A 45 -3.994 -1.764 12.836 1.00 0.00 C ATOM 702 C SER A 45 -4.841 -2.478 11.780 1.00 0.00 C ATOM 703 O SER A 45 -4.425 -2.610 10.630 1.00 0.00 O ATOM 704 CB SER A 45 -4.617 -0.412 13.189 1.00 0.00 C ATOM 705 OG SER A 45 -3.771 0.676 12.827 1.00 0.00 O ATOM 0 H SER A 45 -2.554 -1.175 11.432 1.00 0.00 H new ATOM 0 HA SER A 45 -3.967 -2.369 13.742 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.576 -0.311 12.680 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.819 -0.374 14.260 1.00 0.00 H new ATOM 0 HG SER A 45 -4.305 1.494 12.751 1.00 0.00 H new ATOM 711 N VAL A 46 -6.014 -2.920 12.209 1.00 0.00 N ATOM 712 CA VAL A 46 -6.923 -3.618 11.315 1.00 0.00 C ATOM 713 C VAL A 46 -7.435 -2.643 10.253 1.00 0.00 C ATOM 714 O VAL A 46 -8.283 -1.799 10.537 1.00 0.00 O ATOM 715 CB VAL A 46 -8.049 -4.271 12.120 1.00 0.00 C ATOM 716 CG1 VAL A 46 -8.614 -3.301 13.159 1.00 0.00 C ATOM 717 CG2 VAL A 46 -9.153 -4.789 11.196 1.00 0.00 C ATOM 0 H VAL A 46 -6.356 -2.809 13.163 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.404 -4.423 10.794 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.629 -5.124 12.652 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.412 -3.790 13.717 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.822 -3.001 13.846 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.011 -2.419 12.656 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.941 -5.248 11.793 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.568 -3.959 10.624 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.738 -5.529 10.512 1.00 0.00 H new ATOM 727 N GLY A 47 -6.898 -2.792 9.051 1.00 0.00 N ATOM 728 CA GLY A 47 -7.290 -1.935 7.945 1.00 0.00 C ATOM 729 C GLY A 47 -6.227 -0.868 7.675 1.00 0.00 C ATOM 730 O GLY A 47 -6.419 0.005 6.830 1.00 0.00 O ATOM 0 H GLY A 47 -6.195 -3.493 8.819 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.441 -2.537 7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.242 -1.456 8.171 1.00 0.00 H new ATOM 734 N GLU A 48 -5.128 -0.974 8.407 1.00 0.00 N ATOM 735 CA GLU A 48 -4.034 -0.029 8.257 1.00 0.00 C ATOM 736 C GLU A 48 -2.759 -0.758 7.827 1.00 0.00 C ATOM 737 O GLU A 48 -2.502 -1.878 8.266 1.00 0.00 O ATOM 738 CB GLU A 48 -3.807 0.757 9.550 1.00 0.00 C ATOM 739 CG GLU A 48 -5.039 1.592 9.907 1.00 0.00 C ATOM 740 CD GLU A 48 -4.644 2.840 10.698 1.00 0.00 C ATOM 741 OE1 GLU A 48 -3.724 2.714 11.536 1.00 0.00 O ATOM 742 OE2 GLU A 48 -5.271 3.892 10.448 1.00 0.00 O ATOM 0 H GLU A 48 -4.971 -1.700 9.106 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.301 0.686 7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.582 0.068 10.364 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.941 1.410 9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.561 1.884 8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.733 0.990 10.493 1.00 0.00 H new ATOM 749 N VAL A 49 -1.994 -0.092 6.975 1.00 0.00 N ATOM 750 CA VAL A 49 -0.752 -0.662 6.481 1.00 0.00 C ATOM 751 C VAL A 49 0.319 0.430 6.426 1.00 0.00 C ATOM 752 O VAL A 49 0.004 1.604 6.241 1.00 0.00 O ATOM 753 CB VAL A 49 -0.988 -1.337 5.128 1.00 0.00 C ATOM 754 CG1 VAL A 49 -2.142 -2.338 5.209 1.00 0.00 C ATOM 755 CG2 VAL A 49 -1.238 -0.298 4.033 1.00 0.00 C ATOM 0 H VAL A 49 -2.210 0.837 6.614 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.391 -1.437 7.157 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.085 -1.888 4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.289 -2.804 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.907 -3.106 5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.054 -1.819 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.403 -0.804 3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.118 0.293 4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.372 0.358 3.949 1.00 0.00 H new ATOM 765 N TYR A 50 1.562 0.003 6.591 1.00 0.00 N ATOM 766 CA TYR A 50 2.681 0.929 6.563 1.00 0.00 C ATOM 767 C TYR A 50 3.648 0.587 5.427 1.00 0.00 C ATOM 768 O TYR A 50 4.027 -0.571 5.258 1.00 0.00 O ATOM 769 CB TYR A 50 3.403 0.759 7.900 1.00 0.00 C ATOM 770 CG TYR A 50 3.108 1.867 8.913 1.00 0.00 C ATOM 771 CD1 TYR A 50 3.469 3.170 8.636 1.00 0.00 C ATOM 772 CD2 TYR A 50 2.479 1.564 10.104 1.00 0.00 C ATOM 773 CE1 TYR A 50 3.191 4.213 9.589 1.00 0.00 C ATOM 774 CE2 TYR A 50 2.201 2.607 11.056 1.00 0.00 C ATOM 775 CZ TYR A 50 2.570 3.880 10.752 1.00 0.00 C ATOM 776 OH TYR A 50 2.307 4.866 11.652 1.00 0.00 O ATOM 0 H TYR A 50 1.819 -0.972 6.745 1.00 0.00 H new ATOM 0 HA TYR A 50 2.331 1.949 6.404 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.121 -0.200 8.334 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.477 0.723 7.719 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.960 3.407 7.704 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.196 0.545 10.321 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.469 5.236 9.385 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.710 2.383 11.992 1.00 0.00 H new ATOM 0 HH TYR A 50 1.860 4.483 12.435 1.00 0.00 H new ATOM 786 N ILE A 51 4.019 1.615 4.678 1.00 0.00 N ATOM 787 CA ILE A 51 4.934 1.437 3.564 1.00 0.00 C ATOM 788 C ILE A 51 6.229 2.201 3.847 1.00 0.00 C ATOM 789 O ILE A 51 6.216 3.423 3.988 1.00 0.00 O ATOM 790 CB ILE A 51 4.260 1.835 2.249 1.00 0.00 C ATOM 791 CG1 ILE A 51 2.824 1.312 2.188 1.00 0.00 C ATOM 792 CG2 ILE A 51 5.089 1.376 1.048 1.00 0.00 C ATOM 793 CD1 ILE A 51 2.101 1.837 0.946 1.00 0.00 C ATOM 0 H ILE A 51 3.702 2.574 4.821 1.00 0.00 H new ATOM 0 HA ILE A 51 5.201 0.386 3.454 1.00 0.00 H new ATOM 0 HB ILE A 51 4.208 2.923 2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.830 0.222 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.284 1.618 3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.588 1.671 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.075 1.838 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.195 0.291 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.082 1.450 0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.075 2.926 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.630 1.509 0.051 1.00 0.00 H new ATOM 805 N LYS A 52 7.317 1.449 3.921 1.00 0.00 N ATOM 806 CA LYS A 52 8.619 2.039 4.184 1.00 0.00 C ATOM 807 C LYS A 52 9.652 1.431 3.234 1.00 0.00 C ATOM 808 O LYS A 52 9.491 0.299 2.778 1.00 0.00 O ATOM 809 CB LYS A 52 8.983 1.895 5.663 1.00 0.00 C ATOM 810 CG LYS A 52 7.936 2.565 6.554 1.00 0.00 C ATOM 811 CD LYS A 52 7.123 1.523 7.324 1.00 0.00 C ATOM 812 CE LYS A 52 6.714 2.053 8.700 1.00 0.00 C ATOM 813 NZ LYS A 52 7.847 1.960 9.648 1.00 0.00 N ATOM 0 H LYS A 52 7.324 0.436 3.803 1.00 0.00 H new ATOM 0 HA LYS A 52 8.598 3.111 3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.062 0.839 5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.960 2.342 5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.428 3.239 7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.269 3.173 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.233 1.257 6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.710 0.612 7.441 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.387 3.089 8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.867 1.482 9.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.553 2.324 10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.140 0.967 9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.645 2.524 9.292 1.00 0.00 H new ATOM 827 N SER A 53 10.690 2.208 2.963 1.00 0.00 N ATOM 828 CA SER A 53 11.749 1.760 2.075 1.00 0.00 C ATOM 829 C SER A 53 12.766 0.923 2.854 1.00 0.00 C ATOM 830 O SER A 53 13.199 1.315 3.936 1.00 0.00 O ATOM 831 CB SER A 53 12.443 2.946 1.403 1.00 0.00 C ATOM 832 OG SER A 53 11.625 3.546 0.401 1.00 0.00 O ATOM 0 H SER A 53 10.820 3.146 3.343 1.00 0.00 H new ATOM 0 HA SER A 53 11.302 1.144 1.294 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.698 3.691 2.157 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.379 2.612 0.955 1.00 0.00 H new ATOM 0 HG SER A 53 11.576 4.513 0.554 1.00 0.00 H new ATOM 838 N THR A 54 13.116 -0.215 2.273 1.00 0.00 N ATOM 839 CA THR A 54 14.073 -1.111 2.899 1.00 0.00 C ATOM 840 C THR A 54 15.503 -0.689 2.555 1.00 0.00 C ATOM 841 O THR A 54 16.431 -0.943 3.322 1.00 0.00 O ATOM 842 CB THR A 54 13.740 -2.539 2.463 1.00 0.00 C ATOM 843 OG1 THR A 54 13.961 -2.533 1.055 1.00 0.00 O ATOM 844 CG2 THR A 54 12.251 -2.862 2.605 1.00 0.00 C ATOM 0 H THR A 54 12.754 -0.537 1.375 1.00 0.00 H new ATOM 0 HA THR A 54 14.006 -1.064 3.986 1.00 0.00 H new ATOM 0 HB THR A 54 14.323 -3.244 3.055 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.105 -2.424 0.590 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.069 -3.887 2.282 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.952 -2.751 3.647 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.670 -2.178 1.986 1.00 0.00 H new ATOM 852 N GLU A 55 15.636 -0.051 1.402 1.00 0.00 N ATOM 853 CA GLU A 55 16.937 0.409 0.947 1.00 0.00 C ATOM 854 C GLU A 55 17.349 1.672 1.705 1.00 0.00 C ATOM 855 O GLU A 55 18.147 1.608 2.639 1.00 0.00 O ATOM 856 CB GLU A 55 16.936 0.652 -0.564 1.00 0.00 C ATOM 857 CG GLU A 55 18.317 1.097 -1.049 1.00 0.00 C ATOM 858 CD GLU A 55 19.200 -0.110 -1.371 1.00 0.00 C ATOM 859 OE1 GLU A 55 19.209 -1.044 -0.540 1.00 0.00 O ATOM 860 OE2 GLU A 55 19.847 -0.071 -2.440 1.00 0.00 O ATOM 0 H GLU A 55 14.864 0.158 0.769 1.00 0.00 H new ATOM 0 HA GLU A 55 17.669 -0.371 1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.641 -0.260 -1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.197 1.413 -0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.211 1.722 -1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.795 1.708 -0.284 1.00 0.00 H new ATOM 867 N THR A 56 16.785 2.792 1.275 1.00 0.00 N ATOM 868 CA THR A 56 17.084 4.068 1.902 1.00 0.00 C ATOM 869 C THR A 56 16.626 4.065 3.362 1.00 0.00 C ATOM 870 O THR A 56 17.410 4.362 4.262 1.00 0.00 O ATOM 871 CB THR A 56 16.432 5.170 1.063 1.00 0.00 C ATOM 872 OG1 THR A 56 15.048 4.832 1.060 1.00 0.00 O ATOM 873 CG2 THR A 56 16.836 5.100 -0.411 1.00 0.00 C ATOM 0 H THR A 56 16.123 2.842 0.500 1.00 0.00 H new ATOM 0 HA THR A 56 18.158 4.253 1.931 1.00 0.00 H new ATOM 0 HB THR A 56 16.705 6.144 1.468 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.550 5.496 0.539 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.346 5.903 -0.961 1.00 0.00 H new ATOM 0 HG22 THR A 56 17.917 5.208 -0.497 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.533 4.139 -0.826 1.00 0.00 H new ATOM 881 N GLY A 57 15.360 3.726 3.551 1.00 0.00 N ATOM 882 CA GLY A 57 14.789 3.681 4.887 1.00 0.00 C ATOM 883 C GLY A 57 13.606 4.644 5.010 1.00 0.00 C ATOM 884 O GLY A 57 12.781 4.506 5.912 1.00 0.00 O ATOM 0 H GLY A 57 14.713 3.480 2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.461 2.666 5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.552 3.940 5.621 1.00 0.00 H new ATOM 888 N GLN A 58 13.562 5.597 4.092 1.00 0.00 N ATOM 889 CA GLN A 58 12.494 6.583 4.087 1.00 0.00 C ATOM 890 C GLN A 58 11.131 5.888 4.101 1.00 0.00 C ATOM 891 O GLN A 58 11.032 4.701 3.797 1.00 0.00 O ATOM 892 CB GLN A 58 12.619 7.520 2.884 1.00 0.00 C ATOM 893 CG GLN A 58 13.845 8.425 3.019 1.00 0.00 C ATOM 894 CD GLN A 58 14.783 8.259 1.822 1.00 0.00 C ATOM 895 OE1 GLN A 58 15.995 8.201 1.953 1.00 0.00 O ATOM 896 NE2 GLN A 58 14.158 8.186 0.650 1.00 0.00 N ATOM 0 H GLN A 58 14.249 5.708 3.346 1.00 0.00 H new ATOM 0 HA GLN A 58 12.581 7.189 4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.694 6.934 1.968 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.720 8.130 2.799 1.00 0.00 H new ATOM 0 HG2 GLN A 58 13.527 9.465 3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.378 8.186 3.939 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.140 8.241 0.610 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.697 8.075 -0.209 1.00 0.00 H new ATOM 905 N TYR A 59 10.114 6.658 4.459 1.00 0.00 N ATOM 906 CA TYR A 59 8.761 6.132 4.518 1.00 0.00 C ATOM 907 C TYR A 59 7.871 6.787 3.459 1.00 0.00 C ATOM 908 O TYR A 59 7.982 7.986 3.206 1.00 0.00 O ATOM 909 CB TYR A 59 8.229 6.491 5.907 1.00 0.00 C ATOM 910 CG TYR A 59 9.127 6.029 7.056 1.00 0.00 C ATOM 911 CD1 TYR A 59 10.049 5.023 6.849 1.00 0.00 C ATOM 912 CD2 TYR A 59 9.016 6.618 8.299 1.00 0.00 C ATOM 913 CE1 TYR A 59 10.895 4.588 7.931 1.00 0.00 C ATOM 914 CE2 TYR A 59 9.861 6.183 9.380 1.00 0.00 C ATOM 915 CZ TYR A 59 10.759 5.189 9.143 1.00 0.00 C ATOM 916 OH TYR A 59 11.558 4.779 10.164 1.00 0.00 O ATOM 0 H TYR A 59 10.200 7.643 4.711 1.00 0.00 H new ATOM 0 HA TYR A 59 8.759 5.058 4.334 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.105 7.572 5.969 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.241 6.049 6.032 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.136 4.562 5.876 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.295 7.406 8.461 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.621 3.802 7.783 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.784 6.636 10.358 1.00 0.00 H new ATOM 0 HH TYR A 59 11.351 5.297 10.970 1.00 0.00 H new ATOM 926 N LEU A 60 7.009 5.972 2.870 1.00 0.00 N ATOM 927 CA LEU A 60 6.101 6.457 1.845 1.00 0.00 C ATOM 928 C LEU A 60 4.954 7.224 2.507 1.00 0.00 C ATOM 929 O LEU A 60 4.137 6.637 3.214 1.00 0.00 O ATOM 930 CB LEU A 60 5.636 5.305 0.952 1.00 0.00 C ATOM 931 CG LEU A 60 4.826 5.700 -0.284 1.00 0.00 C ATOM 932 CD1 LEU A 60 5.744 5.983 -1.475 1.00 0.00 C ATOM 933 CD2 LEU A 60 3.773 4.639 -0.612 1.00 0.00 C ATOM 0 H LEU A 60 6.920 4.978 3.083 1.00 0.00 H new ATOM 0 HA LEU A 60 6.612 7.156 1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.514 4.748 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.034 4.625 1.554 1.00 0.00 H new ATOM 0 HG LEU A 60 4.294 6.625 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.142 6.261 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.421 6.800 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.323 5.090 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.211 4.945 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.265 3.686 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.092 4.530 0.232 1.00 0.00 H new ATOM 945 N ALA A 61 4.930 8.525 2.253 1.00 0.00 N ATOM 946 CA ALA A 61 3.897 9.378 2.816 1.00 0.00 C ATOM 947 C ALA A 61 3.455 10.397 1.764 1.00 0.00 C ATOM 948 O ALA A 61 4.253 10.817 0.928 1.00 0.00 O ATOM 949 CB ALA A 61 4.423 10.044 4.089 1.00 0.00 C ATOM 0 H ALA A 61 5.609 9.008 1.665 1.00 0.00 H new ATOM 0 HA ALA A 61 3.022 8.790 3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.648 10.684 4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.696 9.278 4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.300 10.646 3.849 1.00 0.00 H new ATOM 955 N MET A 62 2.184 10.764 1.840 1.00 0.00 N ATOM 956 CA MET A 62 1.626 11.726 0.904 1.00 0.00 C ATOM 957 C MET A 62 1.394 13.078 1.582 1.00 0.00 C ATOM 958 O MET A 62 0.598 13.180 2.514 1.00 0.00 O ATOM 959 CB MET A 62 0.300 11.195 0.356 1.00 0.00 C ATOM 960 CG MET A 62 -0.339 12.201 -0.604 1.00 0.00 C ATOM 961 SD MET A 62 -1.777 11.479 -1.376 1.00 0.00 S ATOM 962 CE MET A 62 -1.029 10.064 -2.165 1.00 0.00 C ATOM 0 H MET A 62 1.525 10.413 2.535 1.00 0.00 H new ATOM 0 HA MET A 62 2.336 11.866 0.089 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.468 10.250 -0.161 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.382 10.990 1.181 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.621 13.104 -0.063 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.382 12.498 -1.365 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.585 9.815 -3.069 1.00 0.00 H new ATOM 0 HE2 MET A 62 0.003 10.297 -2.426 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.048 9.215 -1.482 1.00 0.00 H new ATOM 972 N ASP A 63 2.102 14.082 1.086 1.00 0.00 N ATOM 973 CA ASP A 63 1.983 15.423 1.631 1.00 0.00 C ATOM 974 C ASP A 63 0.611 15.996 1.270 1.00 0.00 C ATOM 975 O ASP A 63 -0.314 15.249 0.953 1.00 0.00 O ATOM 976 CB ASP A 63 3.051 16.351 1.050 1.00 0.00 C ATOM 977 CG ASP A 63 3.757 17.246 2.071 1.00 0.00 C ATOM 978 OD1 ASP A 63 3.083 17.627 3.052 1.00 0.00 O ATOM 979 OD2 ASP A 63 4.954 17.528 1.847 1.00 0.00 O ATOM 0 H ASP A 63 2.760 13.993 0.312 1.00 0.00 H new ATOM 0 HA ASP A 63 2.110 15.360 2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.801 15.744 0.542 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.588 16.984 0.294 1.00 0.00 H new ATOM 984 N THR A 64 0.523 17.317 1.329 1.00 0.00 N ATOM 985 CA THR A 64 -0.721 17.998 1.011 1.00 0.00 C ATOM 986 C THR A 64 -0.820 18.253 -0.494 1.00 0.00 C ATOM 987 O THR A 64 -1.918 18.323 -1.044 1.00 0.00 O ATOM 988 CB THR A 64 -0.786 19.277 1.850 1.00 0.00 C ATOM 989 OG1 THR A 64 0.086 20.179 1.175 1.00 0.00 O ATOM 990 CG2 THR A 64 -0.149 19.105 3.230 1.00 0.00 C ATOM 0 H THR A 64 1.292 17.933 1.592 1.00 0.00 H new ATOM 0 HA THR A 64 -1.585 17.382 1.261 1.00 0.00 H new ATOM 0 HB THR A 64 -1.826 19.583 1.966 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.103 21.036 1.651 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.222 20.041 3.784 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.670 18.319 3.776 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.900 18.832 3.115 1.00 0.00 H new ATOM 998 N ASP A 65 0.341 18.385 -1.117 1.00 0.00 N ATOM 999 CA ASP A 65 0.399 18.630 -2.548 1.00 0.00 C ATOM 1000 C ASP A 65 -0.218 17.443 -3.290 1.00 0.00 C ATOM 1001 O ASP A 65 -0.486 17.526 -4.488 1.00 0.00 O ATOM 1002 CB ASP A 65 1.845 18.784 -3.023 1.00 0.00 C ATOM 1003 CG ASP A 65 2.662 19.841 -2.276 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.175 20.991 -2.209 1.00 0.00 O ATOM 1005 OD2 ASP A 65 3.753 19.476 -1.790 1.00 0.00 O ATOM 0 H ASP A 65 1.250 18.327 -0.657 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.148 19.550 -2.754 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.348 17.822 -2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.838 19.034 -4.084 1.00 0.00 H new ATOM 1010 N GLY A 66 -0.425 16.365 -2.548 1.00 0.00 N ATOM 1011 CA GLY A 66 -1.006 15.162 -3.121 1.00 0.00 C ATOM 1012 C GLY A 66 0.074 14.275 -3.743 1.00 0.00 C ATOM 1013 O GLY A 66 -0.235 13.286 -4.405 1.00 0.00 O ATOM 0 H GLY A 66 -0.201 16.299 -1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.537 14.607 -2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.740 15.434 -3.880 1.00 0.00 H new ATOM 1017 N LEU A 67 1.320 14.660 -3.507 1.00 0.00 N ATOM 1018 CA LEU A 67 2.448 13.912 -4.035 1.00 0.00 C ATOM 1019 C LEU A 67 2.974 12.962 -2.958 1.00 0.00 C ATOM 1020 O LEU A 67 2.552 13.030 -1.805 1.00 0.00 O ATOM 1021 CB LEU A 67 3.510 14.864 -4.589 1.00 0.00 C ATOM 1022 CG LEU A 67 3.072 15.754 -5.754 1.00 0.00 C ATOM 1023 CD1 LEU A 67 2.693 17.152 -5.262 1.00 0.00 C ATOM 1024 CD2 LEU A 67 4.146 15.800 -6.842 1.00 0.00 C ATOM 0 H LEU A 67 1.573 15.481 -2.957 1.00 0.00 H new ATOM 0 HA LEU A 67 2.135 13.296 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.853 15.505 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.367 14.272 -4.912 1.00 0.00 H new ATOM 0 HG LEU A 67 2.179 15.317 -6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.385 17.765 -6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.870 17.077 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.553 17.612 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.810 16.439 -7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.070 16.200 -6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.325 14.793 -7.220 1.00 0.00 H new ATOM 1036 N LEU A 68 3.890 12.098 -3.372 1.00 0.00 N ATOM 1037 CA LEU A 68 4.478 11.135 -2.456 1.00 0.00 C ATOM 1038 C LEU A 68 5.940 11.509 -2.201 1.00 0.00 C ATOM 1039 O LEU A 68 6.661 11.876 -3.128 1.00 0.00 O ATOM 1040 CB LEU A 68 4.290 9.711 -2.982 1.00 0.00 C ATOM 1041 CG LEU A 68 2.849 9.198 -3.029 1.00 0.00 C ATOM 1042 CD1 LEU A 68 2.721 8.011 -3.986 1.00 0.00 C ATOM 1043 CD2 LEU A 68 2.341 8.862 -1.626 1.00 0.00 C ATOM 0 H LEU A 68 4.239 12.045 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 68 3.968 11.164 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.706 9.659 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.875 9.035 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 68 2.215 9.994 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.687 7.665 -4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.015 8.319 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.369 7.202 -3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.315 8.500 -1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.972 8.090 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.373 9.756 -1.004 1.00 0.00 H new ATOM 1055 N TYR A 69 6.334 11.402 -0.941 1.00 0.00 N ATOM 1056 CA TYR A 69 7.696 11.724 -0.552 1.00 0.00 C ATOM 1057 C TYR A 69 8.156 10.845 0.612 1.00 0.00 C ATOM 1058 O TYR A 69 7.343 10.184 1.255 1.00 0.00 O ATOM 1059 CB TYR A 69 7.671 13.184 -0.095 1.00 0.00 C ATOM 1060 CG TYR A 69 6.986 13.400 1.256 1.00 0.00 C ATOM 1061 CD1 TYR A 69 7.580 12.939 2.413 1.00 0.00 C ATOM 1062 CD2 TYR A 69 5.774 14.057 1.317 1.00 0.00 C ATOM 1063 CE1 TYR A 69 6.935 13.143 3.684 1.00 0.00 C ATOM 1064 CE2 TYR A 69 5.129 14.261 2.589 1.00 0.00 C ATOM 1065 CZ TYR A 69 5.741 13.794 3.709 1.00 0.00 C ATOM 1066 OH TYR A 69 5.132 13.987 4.910 1.00 0.00 O ATOM 0 H TYR A 69 5.733 11.096 -0.176 1.00 0.00 H new ATOM 0 HA TYR A 69 8.382 11.558 -1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.695 13.553 -0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.160 13.782 -0.850 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.529 12.425 2.365 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.309 14.418 0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.389 12.787 4.597 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.180 14.774 2.651 1.00 0.00 H new ATOM 0 HH TYR A 69 4.179 14.165 4.769 1.00 0.00 H new ATOM 1076 N GLY A 70 9.460 10.865 0.848 1.00 0.00 N ATOM 1077 CA GLY A 70 10.039 10.078 1.924 1.00 0.00 C ATOM 1078 C GLY A 70 10.130 10.896 3.214 1.00 0.00 C ATOM 1079 O GLY A 70 10.759 11.953 3.240 1.00 0.00 O ATOM 0 H GLY A 70 10.132 11.414 0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.433 9.188 2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.033 9.736 1.635 1.00 0.00 H new ATOM 1083 N SER A 71 9.493 10.377 4.253 1.00 0.00 N ATOM 1084 CA SER A 71 9.495 11.045 5.543 1.00 0.00 C ATOM 1085 C SER A 71 10.711 10.605 6.359 1.00 0.00 C ATOM 1086 O SER A 71 11.077 9.431 6.350 1.00 0.00 O ATOM 1087 CB SER A 71 8.205 10.757 6.314 1.00 0.00 C ATOM 1088 OG SER A 71 8.046 11.627 7.432 1.00 0.00 O ATOM 0 H SER A 71 8.972 9.501 4.228 1.00 0.00 H new ATOM 0 HA SER A 71 9.551 12.120 5.371 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.351 10.866 5.645 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.211 9.723 6.657 1.00 0.00 H new ATOM 0 HG SER A 71 8.078 11.104 8.260 1.00 0.00 H new ATOM 1094 N GLN A 72 11.305 11.571 7.045 1.00 0.00 N ATOM 1095 CA GLN A 72 12.472 11.298 7.865 1.00 0.00 C ATOM 1096 C GLN A 72 12.073 10.502 9.110 1.00 0.00 C ATOM 1097 O GLN A 72 12.839 9.668 9.591 1.00 0.00 O ATOM 1098 CB GLN A 72 13.188 12.594 8.249 1.00 0.00 C ATOM 1099 CG GLN A 72 14.379 12.311 9.167 1.00 0.00 C ATOM 1100 CD GLN A 72 14.675 13.513 10.067 1.00 0.00 C ATOM 1101 OE1 GLN A 72 14.234 13.596 11.201 1.00 0.00 O ATOM 1102 NE2 GLN A 72 15.445 14.437 9.499 1.00 0.00 N ATOM 0 H GLN A 72 10.999 12.544 7.049 1.00 0.00 H new ATOM 0 HA GLN A 72 13.168 10.696 7.281 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.531 13.105 7.349 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.490 13.265 8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.169 11.435 9.781 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.258 12.076 8.567 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.781 14.305 8.545 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.700 15.278 10.018 1.00 0.00 H new ATOM 1111 N THR A 73 10.874 10.789 9.596 1.00 0.00 N ATOM 1112 CA THR A 73 10.364 10.111 10.776 1.00 0.00 C ATOM 1113 C THR A 73 9.004 9.475 10.479 1.00 0.00 C ATOM 1114 O THR A 73 8.332 9.855 9.521 1.00 0.00 O ATOM 1115 CB THR A 73 10.323 11.123 11.923 1.00 0.00 C ATOM 1116 OG1 THR A 73 9.939 12.343 11.295 1.00 0.00 O ATOM 1117 CG2 THR A 73 11.712 11.418 12.492 1.00 0.00 C ATOM 0 H THR A 73 10.241 11.481 9.195 1.00 0.00 H new ATOM 0 HA THR A 73 11.016 9.289 11.072 1.00 0.00 H new ATOM 0 HB THR A 73 9.678 10.747 12.717 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.886 13.054 11.967 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.627 12.142 13.303 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.152 10.497 12.873 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.348 11.826 11.706 1.00 0.00 H new ATOM 1125 N PRO A 74 8.629 8.491 11.340 1.00 0.00 N ATOM 1126 CA PRO A 74 7.362 7.798 11.179 1.00 0.00 C ATOM 1127 C PRO A 74 6.195 8.681 11.625 1.00 0.00 C ATOM 1128 O PRO A 74 6.057 8.983 12.809 1.00 0.00 O ATOM 1129 CB PRO A 74 7.499 6.531 12.007 1.00 0.00 C ATOM 1130 CG PRO A 74 8.650 6.783 12.968 1.00 0.00 C ATOM 1131 CD PRO A 74 9.399 8.014 12.485 1.00 0.00 C ATOM 0 HA PRO A 74 7.143 7.556 10.139 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.578 6.317 12.549 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.703 5.669 11.371 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.276 6.937 13.980 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.315 5.920 13.002 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.459 8.773 13.265 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.422 7.769 12.200 1.00 0.00 H new ATOM 1139 N ASN A 75 5.383 9.069 10.652 1.00 0.00 N ATOM 1140 CA ASN A 75 4.232 9.911 10.930 1.00 0.00 C ATOM 1141 C ASN A 75 2.974 9.250 10.363 1.00 0.00 C ATOM 1142 O ASN A 75 3.052 8.465 9.420 1.00 0.00 O ATOM 1143 CB ASN A 75 4.382 11.284 10.272 1.00 0.00 C ATOM 1144 CG ASN A 75 4.827 12.335 11.291 1.00 0.00 C ATOM 1145 OD1 ASN A 75 4.233 12.508 12.342 1.00 0.00 O ATOM 1146 ND2 ASN A 75 5.903 13.025 10.922 1.00 0.00 N ATOM 0 H ASN A 75 5.500 8.816 9.671 1.00 0.00 H new ATOM 0 HA ASN A 75 4.158 10.035 12.010 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.110 11.226 9.463 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.433 11.583 9.826 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.279 13.750 11.534 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.352 12.829 10.028 1.00 0.00 H new ATOM 1153 N GLU A 76 1.843 9.593 10.962 1.00 0.00 N ATOM 1154 CA GLU A 76 0.570 9.043 10.528 1.00 0.00 C ATOM 1155 C GLU A 76 0.460 9.098 9.003 1.00 0.00 C ATOM 1156 O GLU A 76 -0.248 8.293 8.399 1.00 0.00 O ATOM 1157 CB GLU A 76 -0.598 9.777 11.189 1.00 0.00 C ATOM 1158 CG GLU A 76 -1.122 8.999 12.398 1.00 0.00 C ATOM 1159 CD GLU A 76 -0.777 9.717 13.704 1.00 0.00 C ATOM 1160 OE1 GLU A 76 -1.131 10.912 13.805 1.00 0.00 O ATOM 1161 OE2 GLU A 76 -0.167 9.056 14.572 1.00 0.00 O ATOM 0 H GLU A 76 1.782 10.245 11.744 1.00 0.00 H new ATOM 0 HA GLU A 76 0.523 7.999 10.838 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.277 10.770 11.503 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.401 9.915 10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.203 8.881 12.318 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.692 7.998 12.405 1.00 0.00 H new ATOM 1168 N GLU A 77 1.170 10.054 8.424 1.00 0.00 N ATOM 1169 CA GLU A 77 1.161 10.224 6.981 1.00 0.00 C ATOM 1170 C GLU A 77 1.709 8.971 6.296 1.00 0.00 C ATOM 1171 O GLU A 77 1.268 8.613 5.205 1.00 0.00 O ATOM 1172 CB GLU A 77 1.956 11.466 6.571 1.00 0.00 C ATOM 1173 CG GLU A 77 1.297 12.740 7.104 1.00 0.00 C ATOM 1174 CD GLU A 77 2.331 13.849 7.305 1.00 0.00 C ATOM 1175 OE1 GLU A 77 2.887 13.911 8.423 1.00 0.00 O ATOM 1176 OE2 GLU A 77 2.543 14.610 6.336 1.00 0.00 O ATOM 0 H GLU A 77 1.756 10.720 8.928 1.00 0.00 H new ATOM 0 HA GLU A 77 0.130 10.369 6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.974 11.392 6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.025 11.515 5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.529 13.076 6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.798 12.527 8.049 1.00 0.00 H new ATOM 1183 N CYS A 78 2.663 8.339 6.963 1.00 0.00 N ATOM 1184 CA CYS A 78 3.276 7.134 6.432 1.00 0.00 C ATOM 1185 C CYS A 78 2.268 5.989 6.553 1.00 0.00 C ATOM 1186 O CYS A 78 2.421 4.952 5.910 1.00 0.00 O ATOM 1187 CB CYS A 78 4.594 6.811 7.138 1.00 0.00 C ATOM 1188 SG CYS A 78 5.712 8.259 7.070 1.00 0.00 S ATOM 0 H CYS A 78 3.027 8.639 7.867 1.00 0.00 H new ATOM 0 HA CYS A 78 3.530 7.284 5.383 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.403 6.537 8.176 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.069 5.952 6.664 1.00 0.00 H new ATOM 0 HG CYS A 78 5.147 9.271 7.658 1.00 0.00 H new ATOM 1194 N LEU A 79 1.261 6.216 7.383 1.00 0.00 N ATOM 1195 CA LEU A 79 0.228 5.217 7.596 1.00 0.00 C ATOM 1196 C LEU A 79 -0.880 5.403 6.557 1.00 0.00 C ATOM 1197 O LEU A 79 -1.376 6.512 6.367 1.00 0.00 O ATOM 1198 CB LEU A 79 -0.271 5.262 9.042 1.00 0.00 C ATOM 1199 CG LEU A 79 -1.242 4.153 9.452 1.00 0.00 C ATOM 1200 CD1 LEU A 79 -0.798 2.801 8.890 1.00 0.00 C ATOM 1201 CD2 LEU A 79 -1.417 4.112 10.972 1.00 0.00 C ATOM 0 H LEU A 79 1.138 7.077 7.916 1.00 0.00 H new ATOM 0 HA LEU A 79 0.633 4.215 7.453 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.593 5.224 9.705 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.758 6.223 9.208 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.218 4.376 9.021 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.505 2.030 9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.765 2.852 7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.193 2.556 9.271 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.112 3.315 11.237 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.453 3.924 11.444 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.811 5.067 11.319 1.00 0.00 H new ATOM 1213 N PHE A 80 -1.234 4.301 5.912 1.00 0.00 N ATOM 1214 CA PHE A 80 -2.273 4.330 4.898 1.00 0.00 C ATOM 1215 C PHE A 80 -3.317 3.240 5.151 1.00 0.00 C ATOM 1216 O PHE A 80 -3.081 2.319 5.931 1.00 0.00 O ATOM 1217 CB PHE A 80 -1.593 4.064 3.553 1.00 0.00 C ATOM 1218 CG PHE A 80 -0.766 5.241 3.031 1.00 0.00 C ATOM 1219 CD1 PHE A 80 0.357 5.630 3.694 1.00 0.00 C ATOM 1220 CD2 PHE A 80 -1.153 5.898 1.905 1.00 0.00 C ATOM 1221 CE1 PHE A 80 1.125 6.722 3.210 1.00 0.00 C ATOM 1222 CE2 PHE A 80 -0.385 6.990 1.421 1.00 0.00 C ATOM 1223 CZ PHE A 80 0.738 7.379 2.084 1.00 0.00 C ATOM 0 H PHE A 80 -0.820 3.383 6.072 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.781 5.294 4.914 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.945 3.193 3.651 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.355 3.813 2.815 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.664 5.108 4.588 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.044 5.589 1.379 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.016 7.031 3.736 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.692 7.512 0.527 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.322 8.210 1.716 1.00 0.00 H new ATOM 1233 N LEU A 81 -4.449 3.382 4.478 1.00 0.00 N ATOM 1234 CA LEU A 81 -5.530 2.421 4.621 1.00 0.00 C ATOM 1235 C LEU A 81 -5.561 1.509 3.393 1.00 0.00 C ATOM 1236 O LEU A 81 -5.601 1.987 2.260 1.00 0.00 O ATOM 1237 CB LEU A 81 -6.855 3.140 4.886 1.00 0.00 C ATOM 1238 CG LEU A 81 -6.816 4.252 5.936 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -6.122 3.776 7.214 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -6.168 5.518 5.371 1.00 0.00 C ATOM 0 H LEU A 81 -4.641 4.148 3.832 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.361 1.783 5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.208 3.566 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.592 2.399 5.197 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.842 4.506 6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.108 4.586 7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.664 2.925 7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.099 3.478 6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.153 6.292 6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.147 5.296 5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.741 5.868 4.513 1.00 0.00 H new ATOM 1252 N GLU A 82 -5.541 0.211 3.659 1.00 0.00 N ATOM 1253 CA GLU A 82 -5.566 -0.773 2.590 1.00 0.00 C ATOM 1254 C GLU A 82 -6.916 -1.492 2.563 1.00 0.00 C ATOM 1255 O GLU A 82 -7.525 -1.718 3.607 1.00 0.00 O ATOM 1256 CB GLU A 82 -4.416 -1.771 2.737 1.00 0.00 C ATOM 1257 CG GLU A 82 -4.507 -2.871 1.678 1.00 0.00 C ATOM 1258 CD GLU A 82 -5.209 -4.112 2.235 1.00 0.00 C ATOM 1259 OE1 GLU A 82 -4.494 -4.954 2.820 1.00 0.00 O ATOM 1260 OE2 GLU A 82 -6.445 -4.190 2.062 1.00 0.00 O ATOM 0 H GLU A 82 -5.508 -0.182 4.600 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.434 -0.254 1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.463 -1.250 2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.441 -2.216 3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.051 -2.500 0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.506 -3.137 1.338 1.00 0.00 H new ATOM 1267 N ARG A 83 -7.345 -1.832 1.356 1.00 0.00 N ATOM 1268 CA ARG A 83 -8.612 -2.521 1.178 1.00 0.00 C ATOM 1269 C ARG A 83 -8.565 -3.405 -0.070 1.00 0.00 C ATOM 1270 O ARG A 83 -7.661 -3.274 -0.894 1.00 0.00 O ATOM 1271 CB ARG A 83 -9.766 -1.526 1.047 1.00 0.00 C ATOM 1272 CG ARG A 83 -10.641 -1.533 2.302 1.00 0.00 C ATOM 1273 CD ARG A 83 -11.847 -2.458 2.125 1.00 0.00 C ATOM 1274 NE ARG A 83 -12.604 -2.551 3.394 1.00 0.00 N ATOM 1275 CZ ARG A 83 -13.427 -3.562 3.704 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -13.605 -4.571 2.841 1.00 0.00 N ATOM 1277 NH2 ARG A 83 -14.073 -3.564 4.879 1.00 0.00 N ATOM 0 H ARG A 83 -6.837 -1.643 0.492 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.780 -3.140 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.370 -0.524 0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.371 -1.778 0.176 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.051 -1.859 3.159 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.983 -0.521 2.517 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.493 -2.079 1.333 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.514 -3.449 1.817 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.492 -1.799 4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.114 -4.570 1.947 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.232 -5.340 3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.938 -2.796 5.537 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.700 -4.333 5.115 1.00 0.00 H new ATOM 1291 N LEU A 84 -9.550 -4.285 -0.170 1.00 0.00 N ATOM 1292 CA LEU A 84 -9.633 -5.190 -1.304 1.00 0.00 C ATOM 1293 C LEU A 84 -10.553 -4.586 -2.367 1.00 0.00 C ATOM 1294 O LEU A 84 -11.744 -4.398 -2.128 1.00 0.00 O ATOM 1295 CB LEU A 84 -10.058 -6.586 -0.845 1.00 0.00 C ATOM 1296 CG LEU A 84 -9.806 -7.724 -1.837 1.00 0.00 C ATOM 1297 CD1 LEU A 84 -10.674 -7.563 -3.087 1.00 0.00 C ATOM 1298 CD2 LEU A 84 -8.320 -7.832 -2.182 1.00 0.00 C ATOM 0 H LEU A 84 -10.298 -4.391 0.516 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.653 -5.315 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.535 -6.817 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.123 -6.562 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.095 -8.662 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.476 -8.384 -3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.726 -7.573 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.439 -6.616 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.169 -8.648 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.982 -6.897 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.749 -8.027 -1.274 1.00 0.00 H new ATOM 1310 N GLU A 85 -9.964 -4.298 -3.519 1.00 0.00 N ATOM 1311 CA GLU A 85 -10.715 -3.719 -4.620 1.00 0.00 C ATOM 1312 C GLU A 85 -10.975 -4.774 -5.697 1.00 0.00 C ATOM 1313 O GLU A 85 -10.304 -5.803 -5.738 1.00 0.00 O ATOM 1314 CB GLU A 85 -9.987 -2.507 -5.203 1.00 0.00 C ATOM 1315 CG GLU A 85 -10.292 -1.243 -4.396 1.00 0.00 C ATOM 1316 CD GLU A 85 -10.644 -0.075 -5.320 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -10.281 -0.165 -6.512 1.00 0.00 O ATOM 1318 OE2 GLU A 85 -11.269 0.881 -4.812 1.00 0.00 O ATOM 0 H GLU A 85 -8.975 -4.455 -3.713 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.676 -3.374 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.913 -2.690 -5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.288 -2.362 -6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.120 -1.434 -3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.429 -0.980 -3.784 1.00 0.00 H new ATOM 1325 N GLU A 86 -11.952 -4.481 -6.543 1.00 0.00 N ATOM 1326 CA GLU A 86 -12.309 -5.391 -7.618 1.00 0.00 C ATOM 1327 C GLU A 86 -11.111 -5.616 -8.543 1.00 0.00 C ATOM 1328 O GLU A 86 -10.036 -5.062 -8.319 1.00 0.00 O ATOM 1329 CB GLU A 86 -13.515 -4.868 -8.401 1.00 0.00 C ATOM 1330 CG GLU A 86 -14.766 -5.694 -8.098 1.00 0.00 C ATOM 1331 CD GLU A 86 -15.854 -5.447 -9.145 1.00 0.00 C ATOM 1332 OE1 GLU A 86 -16.511 -4.389 -9.042 1.00 0.00 O ATOM 1333 OE2 GLU A 86 -16.003 -6.322 -10.025 1.00 0.00 O ATOM 0 H GLU A 86 -12.507 -3.626 -6.506 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.589 -6.349 -7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.694 -3.824 -8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.302 -4.903 -9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.510 -6.753 -8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.144 -5.438 -7.108 1.00 0.00 H new ATOM 1340 N ASN A 87 -11.336 -6.432 -9.562 1.00 0.00 N ATOM 1341 CA ASN A 87 -10.289 -6.738 -10.521 1.00 0.00 C ATOM 1342 C ASN A 87 -9.112 -7.391 -9.794 1.00 0.00 C ATOM 1343 O ASN A 87 -8.005 -7.454 -10.328 1.00 0.00 O ATOM 1344 CB ASN A 87 -9.777 -5.467 -11.203 1.00 0.00 C ATOM 1345 CG ASN A 87 -10.612 -5.136 -12.441 1.00 0.00 C ATOM 1346 OD1 ASN A 87 -11.343 -5.958 -12.968 1.00 0.00 O ATOM 1347 ND2 ASN A 87 -10.463 -3.888 -12.876 1.00 0.00 N ATOM 0 H ASN A 87 -12.229 -6.891 -9.744 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.707 -7.408 -11.273 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.814 -4.633 -10.502 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.733 -5.598 -11.488 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.977 -3.569 -13.697 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.834 -3.250 -12.388 1.00 0.00 H new ATOM 1354 N HIS A 88 -9.390 -7.859 -8.586 1.00 0.00 N ATOM 1355 CA HIS A 88 -8.368 -8.504 -7.779 1.00 0.00 C ATOM 1356 C HIS A 88 -7.179 -7.557 -7.603 1.00 0.00 C ATOM 1357 O HIS A 88 -6.087 -7.827 -8.099 1.00 0.00 O ATOM 1358 CB HIS A 88 -7.968 -9.851 -8.385 1.00 0.00 C ATOM 1359 CG HIS A 88 -7.573 -10.890 -7.363 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -6.935 -10.571 -6.177 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -7.731 -12.245 -7.363 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -6.724 -11.691 -5.501 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -7.218 -12.727 -6.238 1.00 0.00 N ATOM 0 H HIS A 88 -10.309 -7.804 -8.146 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.765 -8.720 -6.787 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.801 -10.234 -8.975 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -7.136 -9.696 -9.072 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.195 -12.827 -8.146 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.245 -11.770 -4.536 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -7.197 -13.711 -5.969 1.00 0.00 H new ATOM 1371 N TYR A 89 -7.433 -6.466 -6.895 1.00 0.00 N ATOM 1372 CA TYR A 89 -6.397 -5.477 -6.648 1.00 0.00 C ATOM 1373 C TYR A 89 -6.532 -4.882 -5.245 1.00 0.00 C ATOM 1374 O TYR A 89 -7.544 -5.085 -4.575 1.00 0.00 O ATOM 1375 CB TYR A 89 -6.615 -4.371 -7.682 1.00 0.00 C ATOM 1376 CG TYR A 89 -5.961 -4.648 -9.037 1.00 0.00 C ATOM 1377 CD1 TYR A 89 -4.605 -4.893 -9.111 1.00 0.00 C ATOM 1378 CD2 TYR A 89 -6.727 -4.652 -10.185 1.00 0.00 C ATOM 1379 CE1 TYR A 89 -3.989 -5.154 -10.387 1.00 0.00 C ATOM 1380 CE2 TYR A 89 -6.112 -4.913 -11.460 1.00 0.00 C ATOM 1381 CZ TYR A 89 -4.773 -5.151 -11.498 1.00 0.00 C ATOM 1382 OH TYR A 89 -4.192 -5.397 -12.703 1.00 0.00 O ATOM 0 H TYR A 89 -8.340 -6.245 -6.485 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.408 -5.929 -6.723 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.686 -4.231 -7.829 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.223 -3.435 -7.285 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.006 -4.889 -8.213 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.788 -4.459 -10.127 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.929 -5.348 -10.459 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.700 -4.920 -12.366 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.873 -5.364 -13.407 1.00 0.00 H new ATOM 1392 N ASN A 90 -5.498 -4.158 -4.842 1.00 0.00 N ATOM 1393 CA ASN A 90 -5.488 -3.532 -3.531 1.00 0.00 C ATOM 1394 C ASN A 90 -5.365 -2.016 -3.696 1.00 0.00 C ATOM 1395 O ASN A 90 -4.864 -1.537 -4.712 1.00 0.00 O ATOM 1396 CB ASN A 90 -4.299 -4.015 -2.698 1.00 0.00 C ATOM 1397 CG ASN A 90 -4.445 -5.496 -2.342 1.00 0.00 C ATOM 1398 OD1 ASN A 90 -4.698 -6.342 -3.184 1.00 0.00 O ATOM 1399 ND2 ASN A 90 -4.273 -5.761 -1.050 1.00 0.00 N ATOM 0 H ASN A 90 -4.661 -3.991 -5.401 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.415 -3.798 -3.023 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.374 -3.860 -3.254 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.225 -3.423 -1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.351 -6.720 -0.711 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.063 -5.005 -0.398 1.00 0.00 H new ATOM 1406 N THR A 91 -5.830 -1.302 -2.681 1.00 0.00 N ATOM 1407 CA THR A 91 -5.778 0.150 -2.700 1.00 0.00 C ATOM 1408 C THR A 91 -5.074 0.675 -1.447 1.00 0.00 C ATOM 1409 O THR A 91 -4.938 -0.045 -0.460 1.00 0.00 O ATOM 1410 CB THR A 91 -7.207 0.672 -2.859 1.00 0.00 C ATOM 1411 OG1 THR A 91 -8.004 -0.279 -2.159 1.00 0.00 O ATOM 1412 CG2 THR A 91 -7.705 0.585 -4.303 1.00 0.00 C ATOM 0 H THR A 91 -6.245 -1.703 -1.840 1.00 0.00 H new ATOM 0 HA THR A 91 -5.189 0.514 -3.542 1.00 0.00 H new ATOM 0 HB THR A 91 -7.255 1.707 -2.520 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.869 0.123 -1.932 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.724 0.968 -4.360 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.057 1.179 -4.948 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.689 -0.454 -4.631 1.00 0.00 H new ATOM 1420 N TYR A 92 -4.647 1.926 -1.529 1.00 0.00 N ATOM 1421 CA TYR A 92 -3.961 2.557 -0.413 1.00 0.00 C ATOM 1422 C TYR A 92 -4.298 4.047 -0.334 1.00 0.00 C ATOM 1423 O TYR A 92 -4.255 4.751 -1.341 1.00 0.00 O ATOM 1424 CB TYR A 92 -2.465 2.399 -0.694 1.00 0.00 C ATOM 1425 CG TYR A 92 -2.003 0.945 -0.806 1.00 0.00 C ATOM 1426 CD1 TYR A 92 -2.186 0.079 0.253 1.00 0.00 C ATOM 1427 CD2 TYR A 92 -1.403 0.498 -1.966 1.00 0.00 C ATOM 1428 CE1 TYR A 92 -1.751 -1.290 0.148 1.00 0.00 C ATOM 1429 CE2 TYR A 92 -0.968 -0.870 -2.071 1.00 0.00 C ATOM 1430 CZ TYR A 92 -1.163 -1.697 -1.009 1.00 0.00 C ATOM 1431 OH TYR A 92 -0.753 -2.989 -1.108 1.00 0.00 O ATOM 0 H TYR A 92 -4.762 2.520 -2.350 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.260 2.099 0.530 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.223 2.919 -1.621 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.903 2.888 0.102 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.656 0.428 1.161 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.260 1.175 -2.795 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.889 -1.978 0.969 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.497 -1.232 -2.973 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.352 -3.138 -1.990 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.626 4.483 0.874 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.971 5.876 1.098 1.00 0.00 C ATOM 1443 C ILE A 93 -4.285 6.368 2.374 1.00 0.00 C ATOM 1444 O ILE A 93 -4.243 5.654 3.375 1.00 0.00 O ATOM 1445 CB ILE A 93 -6.490 6.058 1.107 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -7.075 5.858 -0.292 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -6.877 7.414 1.702 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -8.521 5.365 -0.217 1.00 0.00 C ATOM 0 H ILE A 93 -4.660 3.896 1.707 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.604 6.495 0.279 1.00 0.00 H new ATOM 0 HB ILE A 93 -6.922 5.290 1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.036 6.797 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.470 5.138 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.962 7.517 1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.512 7.479 2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.433 8.212 1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.913 5.231 -1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.554 4.414 0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.128 6.098 0.314 1.00 0.00 H new ATOM 1460 N SER A 94 -3.764 7.584 2.298 1.00 0.00 N ATOM 1461 CA SER A 94 -3.082 8.179 3.434 1.00 0.00 C ATOM 1462 C SER A 94 -4.029 8.250 4.634 1.00 0.00 C ATOM 1463 O SER A 94 -5.203 8.588 4.484 1.00 0.00 O ATOM 1464 CB SER A 94 -2.554 9.573 3.091 1.00 0.00 C ATOM 1465 OG SER A 94 -1.488 9.966 3.951 1.00 0.00 O ATOM 0 H SER A 94 -3.801 8.173 1.466 1.00 0.00 H new ATOM 0 HA SER A 94 -2.229 7.550 3.689 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.209 9.586 2.057 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.366 10.297 3.166 1.00 0.00 H new ATOM 0 HG SER A 94 -1.177 10.861 3.699 1.00 0.00 H new ATOM 1471 N LYS A 95 -3.484 7.927 5.798 1.00 0.00 N ATOM 1472 CA LYS A 95 -4.266 7.951 7.022 1.00 0.00 C ATOM 1473 C LYS A 95 -4.416 9.397 7.498 1.00 0.00 C ATOM 1474 O LYS A 95 -5.526 9.851 7.775 1.00 0.00 O ATOM 1475 CB LYS A 95 -3.650 7.020 8.068 1.00 0.00 C ATOM 1476 CG LYS A 95 -4.713 6.514 9.046 1.00 0.00 C ATOM 1477 CD LYS A 95 -4.356 6.888 10.486 1.00 0.00 C ATOM 1478 CE LYS A 95 -5.568 6.740 11.408 1.00 0.00 C ATOM 1479 NZ LYS A 95 -5.133 6.491 12.800 1.00 0.00 N ATOM 0 H LYS A 95 -2.511 7.647 5.919 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.271 7.569 6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.175 6.174 7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.869 7.548 8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.683 6.938 8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.805 5.431 8.960 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.545 6.251 10.840 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.993 7.915 10.519 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.176 7.644 11.367 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.196 5.918 11.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.968 6.393 13.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.572 5.616 12.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.553 7.289 13.130 1.00 0.00 H new ATOM 1493 N LYS A 96 -3.284 10.081 7.579 1.00 0.00 N ATOM 1494 CA LYS A 96 -3.276 11.466 8.017 1.00 0.00 C ATOM 1495 C LYS A 96 -4.371 12.237 7.276 1.00 0.00 C ATOM 1496 O LYS A 96 -4.867 13.248 7.771 1.00 0.00 O ATOM 1497 CB LYS A 96 -1.881 12.071 7.855 1.00 0.00 C ATOM 1498 CG LYS A 96 -1.716 13.313 8.734 1.00 0.00 C ATOM 1499 CD LYS A 96 -1.451 14.556 7.883 1.00 0.00 C ATOM 1500 CE LYS A 96 -2.333 15.724 8.328 1.00 0.00 C ATOM 1501 NZ LYS A 96 -2.468 16.716 7.238 1.00 0.00 N ATOM 0 H LYS A 96 -2.366 9.701 7.349 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.504 11.530 9.081 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.127 11.330 8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.714 12.335 6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.615 13.462 9.331 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.892 13.163 9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.401 14.838 7.962 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.642 14.330 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.317 15.355 8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.901 16.199 9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -3.070 17.502 7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.528 17.081 6.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.901 16.263 6.408 1.00 0.00 H new ATOM 1515 N HIS A 97 -4.716 11.730 6.102 1.00 0.00 N ATOM 1516 CA HIS A 97 -5.742 12.358 5.288 1.00 0.00 C ATOM 1517 C HIS A 97 -7.028 11.531 5.355 1.00 0.00 C ATOM 1518 O HIS A 97 -7.865 11.748 6.230 1.00 0.00 O ATOM 1519 CB HIS A 97 -5.247 12.569 3.856 1.00 0.00 C ATOM 1520 CG HIS A 97 -4.063 13.499 3.746 1.00 0.00 C ATOM 1521 ND1 HIS A 97 -4.130 14.726 3.109 1.00 0.00 N ATOM 1522 CD2 HIS A 97 -2.783 13.370 4.199 1.00 0.00 C ATOM 1523 CE1 HIS A 97 -2.938 15.300 3.180 1.00 0.00 C ATOM 1524 NE2 HIS A 97 -2.104 14.458 3.856 1.00 0.00 N ATOM 0 H HIS A 97 -4.303 10.891 5.695 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.967 13.349 5.682 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.978 11.603 3.430 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.065 12.966 3.255 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.389 12.526 4.745 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -2.673 16.265 2.774 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.121 14.635 4.064 1.00 0.00 H new ATOM 1532 N ALA A 98 -7.145 10.601 4.419 1.00 0.00 N ATOM 1533 CA ALA A 98 -8.314 9.741 4.361 1.00 0.00 C ATOM 1534 C ALA A 98 -9.532 10.570 3.947 1.00 0.00 C ATOM 1535 O ALA A 98 -10.120 10.331 2.893 1.00 0.00 O ATOM 1536 CB ALA A 98 -8.510 9.053 5.713 1.00 0.00 C ATOM 0 H ALA A 98 -6.449 10.424 3.694 1.00 0.00 H new ATOM 0 HA ALA A 98 -8.178 8.959 3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.387 8.408 5.669 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.630 8.454 5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -8.652 9.807 6.488 1.00 0.00 H new ATOM 1542 N GLU A 99 -9.874 11.526 4.797 1.00 0.00 N ATOM 1543 CA GLU A 99 -11.010 12.391 4.533 1.00 0.00 C ATOM 1544 C GLU A 99 -10.820 13.127 3.205 1.00 0.00 C ATOM 1545 O GLU A 99 -11.776 13.659 2.643 1.00 0.00 O ATOM 1546 CB GLU A 99 -11.226 13.379 5.681 1.00 0.00 C ATOM 1547 CG GLU A 99 -12.220 12.823 6.703 1.00 0.00 C ATOM 1548 CD GLU A 99 -12.821 13.946 7.551 1.00 0.00 C ATOM 1549 OE1 GLU A 99 -12.026 14.634 8.228 1.00 0.00 O ATOM 1550 OE2 GLU A 99 -14.061 14.092 7.503 1.00 0.00 O ATOM 0 H GLU A 99 -9.384 11.721 5.670 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.903 11.771 4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.274 13.587 6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -11.596 14.325 5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.016 12.287 6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -11.718 12.103 7.349 1.00 0.00 H new ATOM 1557 N LYS A 100 -9.578 13.134 2.742 1.00 0.00 N ATOM 1558 CA LYS A 100 -9.250 13.796 1.491 1.00 0.00 C ATOM 1559 C LYS A 100 -9.421 12.808 0.336 1.00 0.00 C ATOM 1560 O LYS A 100 -9.335 13.189 -0.830 1.00 0.00 O ATOM 1561 CB LYS A 100 -7.855 14.420 1.565 1.00 0.00 C ATOM 1562 CG LYS A 100 -7.682 15.224 2.855 1.00 0.00 C ATOM 1563 CD LYS A 100 -6.986 16.559 2.581 1.00 0.00 C ATOM 1564 CE LYS A 100 -6.276 17.075 3.834 1.00 0.00 C ATOM 1565 NZ LYS A 100 -5.127 17.930 3.463 1.00 0.00 N ATOM 0 H LYS A 100 -8.787 12.692 3.211 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.935 14.624 1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.099 13.636 1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.697 15.069 0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.657 15.404 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.099 14.646 3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.264 16.438 1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.719 17.293 2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.976 17.642 4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.932 16.234 4.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.469 17.994 4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.636 17.516 2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.467 18.882 3.218 1.00 0.00 H new ATOM 1579 N ASN A 101 -9.660 11.556 0.700 1.00 0.00 N ATOM 1580 CA ASN A 101 -9.844 10.510 -0.291 1.00 0.00 C ATOM 1581 C ASN A 101 -8.755 10.629 -1.360 1.00 0.00 C ATOM 1582 O ASN A 101 -9.049 10.898 -2.523 1.00 0.00 O ATOM 1583 CB ASN A 101 -11.202 10.640 -0.983 1.00 0.00 C ATOM 1584 CG ASN A 101 -12.236 11.271 -0.049 1.00 0.00 C ATOM 1585 OD1 ASN A 101 -12.272 12.473 0.157 1.00 0.00 O ATOM 1586 ND2 ASN A 101 -13.071 10.396 0.504 1.00 0.00 N ATOM 0 H ASN A 101 -9.730 11.243 1.668 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.790 9.548 0.219 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -11.099 11.248 -1.882 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.547 9.656 -1.302 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.797 10.718 1.144 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.985 9.403 0.288 1.00 0.00 H new ATOM 1593 N TRP A 102 -7.520 10.424 -0.926 1.00 0.00 N ATOM 1594 CA TRP A 102 -6.386 10.505 -1.831 1.00 0.00 C ATOM 1595 C TRP A 102 -5.801 9.099 -1.982 1.00 0.00 C ATOM 1596 O TRP A 102 -5.560 8.413 -0.990 1.00 0.00 O ATOM 1597 CB TRP A 102 -5.362 11.529 -1.337 1.00 0.00 C ATOM 1598 CG TRP A 102 -5.874 12.970 -1.338 1.00 0.00 C ATOM 1599 CD1 TRP A 102 -7.016 13.440 -1.858 1.00 0.00 C ATOM 1600 CD2 TRP A 102 -5.211 14.118 -0.767 1.00 0.00 C ATOM 1601 NE1 TRP A 102 -7.137 14.801 -1.666 1.00 0.00 N ATOM 1602 CE2 TRP A 102 -6.005 15.227 -0.981 1.00 0.00 C ATOM 1603 CE3 TRP A 102 -3.982 14.217 -0.092 1.00 0.00 C ATOM 1604 CZ2 TRP A 102 -5.657 16.513 -0.552 1.00 0.00 C ATOM 1605 CZ3 TRP A 102 -3.648 15.509 0.330 1.00 0.00 C ATOM 1606 CH2 TRP A 102 -4.436 16.636 0.122 1.00 0.00 C ATOM 0 H TRP A 102 -7.280 10.202 0.040 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.700 10.859 -2.813 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -5.057 11.263 -0.325 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -4.472 11.470 -1.964 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.750 12.830 -2.364 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.914 15.387 -1.971 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.345 13.363 0.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.296 17.365 -0.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.713 15.640 0.854 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.108 17.601 0.479 1.00 0.00 H new ATOM 1617 N PHE A 103 -5.588 8.713 -3.232 1.00 0.00 N ATOM 1618 CA PHE A 103 -5.035 7.401 -3.525 1.00 0.00 C ATOM 1619 C PHE A 103 -3.631 7.519 -4.121 1.00 0.00 C ATOM 1620 O PHE A 103 -3.335 8.475 -4.838 1.00 0.00 O ATOM 1621 CB PHE A 103 -5.960 6.747 -4.554 1.00 0.00 C ATOM 1622 CG PHE A 103 -7.394 6.545 -4.062 1.00 0.00 C ATOM 1623 CD1 PHE A 103 -8.287 7.569 -4.133 1.00 0.00 C ATOM 1624 CD2 PHE A 103 -7.777 5.343 -3.554 1.00 0.00 C ATOM 1625 CE1 PHE A 103 -9.619 7.382 -3.676 1.00 0.00 C ATOM 1626 CE2 PHE A 103 -9.108 5.156 -3.098 1.00 0.00 C ATOM 1627 CZ PHE A 103 -10.001 6.179 -3.169 1.00 0.00 C ATOM 0 H PHE A 103 -5.788 9.285 -4.052 1.00 0.00 H new ATOM 0 HA PHE A 103 -4.964 6.813 -2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.979 7.362 -5.453 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.545 5.780 -4.838 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.983 8.524 -4.537 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.068 4.530 -3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -10.328 8.195 -3.731 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.412 4.201 -2.695 1.00 0.00 H new ATOM 0 HZ PHE A 103 -11.014 6.036 -2.823 1.00 0.00 H new ATOM 1637 N VAL A 104 -2.803 6.535 -3.804 1.00 0.00 N ATOM 1638 CA VAL A 104 -1.437 6.516 -4.299 1.00 0.00 C ATOM 1639 C VAL A 104 -1.454 6.458 -5.827 1.00 0.00 C ATOM 1640 O VAL A 104 -1.468 7.493 -6.492 1.00 0.00 O ATOM 1641 CB VAL A 104 -0.667 5.356 -3.665 1.00 0.00 C ATOM 1642 CG1 VAL A 104 0.727 5.223 -4.281 1.00 0.00 C ATOM 1643 CG2 VAL A 104 -0.582 5.519 -2.146 1.00 0.00 C ATOM 0 H VAL A 104 -3.052 5.744 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.915 7.429 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.215 4.437 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.254 4.391 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.636 5.039 -5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.286 6.144 -4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.030 4.681 -1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.068 6.450 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.587 5.542 -1.726 1.00 0.00 H new ATOM 1653 N GLY A 105 -1.453 5.237 -6.341 1.00 0.00 N ATOM 1654 CA GLY A 105 -1.468 5.030 -7.780 1.00 0.00 C ATOM 1655 C GLY A 105 -0.316 5.778 -8.453 1.00 0.00 C ATOM 1656 O GLY A 105 0.339 6.610 -7.827 1.00 0.00 O ATOM 0 H GLY A 105 -1.442 4.381 -5.787 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.392 3.965 -7.999 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.418 5.373 -8.190 1.00 0.00 H new ATOM 1660 N LEU A 106 -0.103 5.454 -9.720 1.00 0.00 N ATOM 1661 CA LEU A 106 0.959 6.085 -10.485 1.00 0.00 C ATOM 1662 C LEU A 106 0.442 6.420 -11.886 1.00 0.00 C ATOM 1663 O LEU A 106 -0.123 5.563 -12.564 1.00 0.00 O ATOM 1664 CB LEU A 106 2.213 5.209 -10.486 1.00 0.00 C ATOM 1665 CG LEU A 106 2.879 4.992 -9.126 1.00 0.00 C ATOM 1666 CD1 LEU A 106 3.641 3.665 -9.094 1.00 0.00 C ATOM 1667 CD2 LEU A 106 3.776 6.176 -8.759 1.00 0.00 C ATOM 0 H LEU A 106 -0.648 4.763 -10.236 1.00 0.00 H new ATOM 0 HA LEU A 106 1.256 7.025 -10.020 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.952 4.235 -10.900 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.944 5.656 -11.159 1.00 0.00 H new ATOM 0 HG LEU A 106 2.097 4.933 -8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.105 3.535 -8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.949 2.843 -9.279 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.413 3.670 -9.864 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.237 5.996 -7.788 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.554 6.291 -9.514 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.177 7.086 -8.713 1.00 0.00 H new ATOM 1679 N LYS A 107 0.655 7.668 -12.278 1.00 0.00 N ATOM 1680 CA LYS A 107 0.218 8.126 -13.586 1.00 0.00 C ATOM 1681 C LYS A 107 0.742 7.169 -14.658 1.00 0.00 C ATOM 1682 O LYS A 107 1.359 6.152 -14.341 1.00 0.00 O ATOM 1683 CB LYS A 107 0.630 9.583 -13.808 1.00 0.00 C ATOM 1684 CG LYS A 107 -0.187 10.524 -12.921 1.00 0.00 C ATOM 1685 CD LYS A 107 -0.411 11.871 -13.611 1.00 0.00 C ATOM 1686 CE LYS A 107 0.850 12.736 -13.549 1.00 0.00 C ATOM 1687 NZ LYS A 107 1.625 12.612 -14.804 1.00 0.00 N ATOM 0 H LYS A 107 1.124 8.376 -11.713 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.870 8.113 -13.651 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.691 9.702 -13.590 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.488 9.850 -14.855 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.148 10.066 -12.688 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.331 10.678 -11.974 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.694 11.708 -14.651 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.239 12.395 -13.134 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.576 13.778 -13.385 1.00 0.00 H new ATOM 0 HE3 LYS A 107 1.466 12.432 -12.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 2.422 13.280 -14.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 1.989 11.642 -14.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 1.010 12.827 -15.615 1.00 0.00 H new ATOM 1701 N LYS A 108 0.478 7.527 -15.906 1.00 0.00 N ATOM 1702 CA LYS A 108 0.915 6.712 -17.027 1.00 0.00 C ATOM 1703 C LYS A 108 2.328 7.133 -17.438 1.00 0.00 C ATOM 1704 O LYS A 108 2.956 6.481 -18.270 1.00 0.00 O ATOM 1705 CB LYS A 108 -0.103 6.780 -18.168 1.00 0.00 C ATOM 1706 CG LYS A 108 -0.475 5.378 -18.654 1.00 0.00 C ATOM 1707 CD LYS A 108 -0.721 5.369 -20.164 1.00 0.00 C ATOM 1708 CE LYS A 108 0.585 5.152 -20.932 1.00 0.00 C ATOM 1709 NZ LYS A 108 0.331 4.412 -22.188 1.00 0.00 N ATOM 0 H LYS A 108 -0.033 8.371 -16.166 1.00 0.00 H new ATOM 0 HA LYS A 108 0.966 5.662 -16.738 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.999 7.302 -17.831 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.310 7.358 -18.995 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.325 4.680 -18.408 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.369 5.034 -18.134 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.430 4.580 -20.416 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.173 6.313 -20.468 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.046 6.114 -21.157 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.290 4.598 -20.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.227 4.273 -22.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.088 3.486 -21.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.325 4.956 -22.785 1.00 0.00 H new ATOM 1723 N ASN A 109 2.785 8.221 -16.836 1.00 0.00 N ATOM 1724 CA ASN A 109 4.111 8.737 -17.128 1.00 0.00 C ATOM 1725 C ASN A 109 5.126 8.089 -16.184 1.00 0.00 C ATOM 1726 O ASN A 109 6.286 8.496 -16.139 1.00 0.00 O ATOM 1727 CB ASN A 109 4.172 10.252 -16.920 1.00 0.00 C ATOM 1728 CG ASN A 109 4.253 10.987 -18.259 1.00 0.00 C ATOM 1729 OD1 ASN A 109 3.732 10.547 -19.271 1.00 0.00 O ATOM 1730 ND2 ASN A 109 4.935 12.128 -18.209 1.00 0.00 N ATOM 0 H ASN A 109 2.260 8.760 -16.147 1.00 0.00 H new ATOM 0 HA ASN A 109 4.340 8.507 -18.169 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.290 10.583 -16.372 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.039 10.504 -16.310 1.00 0.00 H new ATOM 0 HD21 ASN A 109 5.047 12.692 -19.051 1.00 0.00 H new ATOM 0 HD22 ASN A 109 5.346 12.438 -17.329 1.00 0.00 H new ATOM 1737 N GLY A 110 4.652 7.091 -15.453 1.00 0.00 N ATOM 1738 CA GLY A 110 5.503 6.383 -14.512 1.00 0.00 C ATOM 1739 C GLY A 110 5.766 7.230 -13.266 1.00 0.00 C ATOM 1740 O GLY A 110 6.727 6.987 -12.537 1.00 0.00 O ATOM 0 H GLY A 110 3.689 6.756 -15.493 1.00 0.00 H new ATOM 0 HA2 GLY A 110 5.031 5.444 -14.224 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.449 6.130 -14.991 1.00 0.00 H new ATOM 1744 N SER A 111 4.896 8.207 -13.058 1.00 0.00 N ATOM 1745 CA SER A 111 5.022 9.091 -11.913 1.00 0.00 C ATOM 1746 C SER A 111 3.842 8.885 -10.960 1.00 0.00 C ATOM 1747 O SER A 111 2.852 8.251 -11.321 1.00 0.00 O ATOM 1748 CB SER A 111 5.100 10.554 -12.352 1.00 0.00 C ATOM 1749 OG SER A 111 6.233 10.804 -13.179 1.00 0.00 O ATOM 0 H SER A 111 4.100 8.406 -13.664 1.00 0.00 H new ATOM 0 HA SER A 111 5.948 8.846 -11.393 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.191 10.819 -12.892 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.146 11.195 -11.471 1.00 0.00 H new ATOM 0 HG SER A 111 6.246 11.749 -13.439 1.00 0.00 H new ATOM 1755 N CYS A 112 3.987 9.433 -9.763 1.00 0.00 N ATOM 1756 CA CYS A 112 2.946 9.318 -8.756 1.00 0.00 C ATOM 1757 C CYS A 112 1.796 10.249 -9.144 1.00 0.00 C ATOM 1758 O CYS A 112 2.025 11.388 -9.548 1.00 0.00 O ATOM 1759 CB CYS A 112 3.479 9.623 -7.354 1.00 0.00 C ATOM 1760 SG CYS A 112 3.683 11.429 -7.141 1.00 0.00 S ATOM 0 H CYS A 112 4.810 9.958 -9.468 1.00 0.00 H new ATOM 0 HA CYS A 112 2.584 8.291 -8.720 1.00 0.00 H new ATOM 0 HB2 CYS A 112 2.791 9.235 -6.602 1.00 0.00 H new ATOM 0 HB3 CYS A 112 4.434 9.120 -7.202 1.00 0.00 H new ATOM 0 HG CYS A 112 3.087 12.051 -8.115 1.00 0.00 H new ATOM 1766 N LYS A 113 0.585 9.730 -9.010 1.00 0.00 N ATOM 1767 CA LYS A 113 -0.601 10.500 -9.342 1.00 0.00 C ATOM 1768 C LYS A 113 -1.064 11.274 -8.106 1.00 0.00 C ATOM 1769 O LYS A 113 -1.310 10.683 -7.055 1.00 0.00 O ATOM 1770 CB LYS A 113 -1.679 9.594 -9.939 1.00 0.00 C ATOM 1771 CG LYS A 113 -2.993 10.355 -10.129 1.00 0.00 C ATOM 1772 CD LYS A 113 -4.156 9.391 -10.371 1.00 0.00 C ATOM 1773 CE LYS A 113 -4.572 9.393 -11.843 1.00 0.00 C ATOM 1774 NZ LYS A 113 -3.698 8.494 -12.630 1.00 0.00 N ATOM 0 H LYS A 113 0.399 8.784 -8.676 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.373 11.236 -10.113 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.340 9.203 -10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.842 8.738 -9.285 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.197 10.962 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.902 11.040 -10.972 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.866 8.384 -10.073 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.005 9.676 -9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.610 9.072 -11.934 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.515 10.406 -12.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.346 8.999 -13.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.893 8.192 -12.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -4.240 7.659 -12.931 1.00 0.00 H new ATOM 1788 N ARG A 114 -1.169 12.584 -8.272 1.00 0.00 N ATOM 1789 CA ARG A 114 -1.599 13.445 -7.183 1.00 0.00 C ATOM 1790 C ARG A 114 -2.682 12.752 -6.354 1.00 0.00 C ATOM 1791 O ARG A 114 -3.483 11.987 -6.889 1.00 0.00 O ATOM 1792 CB ARG A 114 -2.142 14.773 -7.712 1.00 0.00 C ATOM 1793 CG ARG A 114 -1.073 15.866 -7.653 1.00 0.00 C ATOM 1794 CD ARG A 114 -0.527 16.174 -9.048 1.00 0.00 C ATOM 1795 NE ARG A 114 -1.267 17.310 -9.642 1.00 0.00 N ATOM 1796 CZ ARG A 114 -0.985 17.849 -10.836 1.00 0.00 C ATOM 1797 NH1 ARG A 114 0.022 17.358 -11.571 1.00 0.00 N ATOM 1798 NH2 ARG A 114 -1.711 18.878 -11.295 1.00 0.00 N ATOM 0 H ARG A 114 -0.964 13.071 -9.145 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.730 13.645 -6.556 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.482 14.647 -8.740 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -3.009 15.075 -7.124 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -1.496 16.771 -7.216 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -0.259 15.549 -7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.535 16.413 -8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -0.620 15.295 -9.686 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.040 17.708 -9.109 1.00 0.00 H new ATOM 0 HH11 ARG A 114 0.573 16.574 -11.222 1.00 0.00 H new ATOM 0 HH12 ARG A 114 0.237 17.768 -12.480 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -2.478 19.251 -10.735 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -1.496 19.288 -12.204 1.00 0.00 H new ATOM 1812 N GLY A 115 -2.672 13.044 -5.062 1.00 0.00 N ATOM 1813 CA GLY A 115 -3.644 12.459 -4.154 1.00 0.00 C ATOM 1814 C GLY A 115 -5.056 12.960 -4.466 1.00 0.00 C ATOM 1815 O GLY A 115 -5.963 12.163 -4.703 1.00 0.00 O ATOM 0 H GLY A 115 -2.006 13.679 -4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.614 11.372 -4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.384 12.710 -3.126 1.00 0.00 H new ATOM 1819 N PRO A 116 -5.202 14.312 -4.454 1.00 0.00 N ATOM 1820 CA PRO A 116 -6.488 14.928 -4.732 1.00 0.00 C ATOM 1821 C PRO A 116 -6.811 14.872 -6.227 1.00 0.00 C ATOM 1822 O PRO A 116 -7.356 15.823 -6.784 1.00 0.00 O ATOM 1823 CB PRO A 116 -6.366 16.348 -4.204 1.00 0.00 C ATOM 1824 CG PRO A 116 -4.876 16.618 -4.073 1.00 0.00 C ATOM 1825 CD PRO A 116 -4.151 15.286 -4.176 1.00 0.00 C ATOM 0 HA PRO A 116 -7.316 14.408 -4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.833 17.059 -4.885 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.868 16.451 -3.242 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.541 17.297 -4.857 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.657 17.099 -3.120 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.405 15.302 -4.971 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.626 15.049 -3.251 1.00 0.00 H new ATOM 1833 N ARG A 117 -6.461 13.747 -6.833 1.00 0.00 N ATOM 1834 CA ARG A 117 -6.707 13.554 -8.252 1.00 0.00 C ATOM 1835 C ARG A 117 -7.103 12.102 -8.529 1.00 0.00 C ATOM 1836 O ARG A 117 -7.041 11.645 -9.670 1.00 0.00 O ATOM 1837 CB ARG A 117 -5.469 13.904 -9.078 1.00 0.00 C ATOM 1838 CG ARG A 117 -5.205 15.411 -9.059 1.00 0.00 C ATOM 1839 CD ARG A 117 -5.288 16.001 -10.468 1.00 0.00 C ATOM 1840 NE ARG A 117 -4.965 17.444 -10.433 1.00 0.00 N ATOM 1841 CZ ARG A 117 -5.061 18.262 -11.491 1.00 0.00 C ATOM 1842 NH1 ARG A 117 -5.473 17.783 -12.673 1.00 0.00 N ATOM 1843 NH2 ARG A 117 -4.747 19.558 -11.366 1.00 0.00 N ATOM 0 H ARG A 117 -6.009 12.960 -6.367 1.00 0.00 H new ATOM 0 HA ARG A 117 -7.522 14.218 -8.541 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -4.602 13.374 -8.683 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -5.606 13.568 -10.106 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -5.931 15.903 -8.412 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -4.219 15.606 -8.637 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -4.596 15.481 -11.130 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -6.289 15.854 -10.874 1.00 0.00 H new ATOM 0 HE ARG A 117 -4.649 17.842 -9.548 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -5.713 16.796 -12.768 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -5.546 18.405 -13.478 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -4.435 19.923 -10.466 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -4.820 20.180 -12.171 1.00 0.00 H new ATOM 1857 N THR A 118 -7.501 11.417 -7.467 1.00 0.00 N ATOM 1858 CA THR A 118 -7.907 10.027 -7.582 1.00 0.00 C ATOM 1859 C THR A 118 -9.393 9.876 -7.252 1.00 0.00 C ATOM 1860 O THR A 118 -9.999 10.778 -6.675 1.00 0.00 O ATOM 1861 CB THR A 118 -6.996 9.193 -6.679 1.00 0.00 C ATOM 1862 OG1 THR A 118 -6.759 10.033 -5.553 1.00 0.00 O ATOM 1863 CG2 THR A 118 -5.607 8.979 -7.284 1.00 0.00 C ATOM 0 H THR A 118 -7.551 11.799 -6.523 1.00 0.00 H new ATOM 0 HA THR A 118 -7.796 9.665 -8.604 1.00 0.00 H new ATOM 0 HB THR A 118 -7.461 8.226 -6.489 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.060 10.684 -5.772 1.00 0.00 H new ATOM 0 HG21 THR A 118 -5.001 8.381 -6.603 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.701 8.459 -8.237 1.00 0.00 H new ATOM 0 HG23 THR A 118 -5.127 9.945 -7.444 1.00 0.00 H new ATOM 1871 N HIS A 119 -9.937 8.729 -7.632 1.00 0.00 N ATOM 1872 CA HIS A 119 -11.341 8.449 -7.384 1.00 0.00 C ATOM 1873 C HIS A 119 -11.643 6.991 -7.735 1.00 0.00 C ATOM 1874 O HIS A 119 -10.835 6.324 -8.380 1.00 0.00 O ATOM 1875 CB HIS A 119 -12.234 9.437 -8.136 1.00 0.00 C ATOM 1876 CG HIS A 119 -12.836 10.511 -7.261 1.00 0.00 C ATOM 1877 ND1 HIS A 119 -12.745 11.859 -7.559 1.00 0.00 N ATOM 1878 CD2 HIS A 119 -13.537 10.421 -6.095 1.00 0.00 C ATOM 1879 CE1 HIS A 119 -13.366 12.541 -6.608 1.00 0.00 C ATOM 1880 NE2 HIS A 119 -13.856 11.648 -5.701 1.00 0.00 N ATOM 0 H HIS A 119 -9.431 7.983 -8.110 1.00 0.00 H new ATOM 0 HA HIS A 119 -11.561 8.585 -6.325 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -11.650 9.911 -8.925 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -13.039 8.886 -8.622 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -13.790 9.506 -5.579 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -13.467 13.615 -6.559 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -14.381 11.884 -4.859 1.00 0.00 H new ATOM 1888 N TYR A 120 -12.809 6.539 -7.296 1.00 0.00 N ATOM 1889 CA TYR A 120 -13.228 5.172 -7.556 1.00 0.00 C ATOM 1890 C TYR A 120 -13.637 4.993 -9.019 1.00 0.00 C ATOM 1891 O TYR A 120 -14.462 5.747 -9.534 1.00 0.00 O ATOM 1892 CB TYR A 120 -14.446 4.927 -6.664 1.00 0.00 C ATOM 1893 CG TYR A 120 -14.173 5.117 -5.171 1.00 0.00 C ATOM 1894 CD1 TYR A 120 -13.132 4.441 -4.569 1.00 0.00 C ATOM 1895 CD2 TYR A 120 -14.968 5.965 -4.426 1.00 0.00 C ATOM 1896 CE1 TYR A 120 -12.874 4.620 -3.163 1.00 0.00 C ATOM 1897 CE2 TYR A 120 -14.711 6.143 -3.021 1.00 0.00 C ATOM 1898 CZ TYR A 120 -13.676 5.462 -2.459 1.00 0.00 C ATOM 1899 OH TYR A 120 -13.434 5.631 -1.131 1.00 0.00 O ATOM 0 H TYR A 120 -13.477 7.095 -6.762 1.00 0.00 H new ATOM 0 HA TYR A 120 -12.414 4.476 -7.352 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -15.246 5.603 -6.965 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -14.807 3.912 -6.830 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.510 3.777 -5.152 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -15.783 6.495 -4.897 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -12.062 4.097 -2.679 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -15.326 6.802 -2.426 1.00 0.00 H new ATOM 0 HH TYR A 120 -14.085 6.261 -0.758 1.00 0.00 H new ATOM 1909 N GLY A 121 -13.042 3.991 -9.649 1.00 0.00 N ATOM 1910 CA GLY A 121 -13.334 3.703 -11.043 1.00 0.00 C ATOM 1911 C GLY A 121 -12.060 3.738 -11.889 1.00 0.00 C ATOM 1912 O GLY A 121 -12.023 3.183 -12.986 1.00 0.00 O ATOM 0 H GLY A 121 -12.358 3.368 -9.219 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.802 2.722 -11.125 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -14.049 4.431 -11.426 1.00 0.00 H new ATOM 1916 N GLN A 122 -11.046 4.397 -11.347 1.00 0.00 N ATOM 1917 CA GLN A 122 -9.773 4.513 -12.038 1.00 0.00 C ATOM 1918 C GLN A 122 -8.958 3.230 -11.866 1.00 0.00 C ATOM 1919 O GLN A 122 -9.062 2.556 -10.842 1.00 0.00 O ATOM 1920 CB GLN A 122 -8.990 5.731 -11.546 1.00 0.00 C ATOM 1921 CG GLN A 122 -9.846 6.997 -11.613 1.00 0.00 C ATOM 1922 CD GLN A 122 -8.975 8.253 -11.542 1.00 0.00 C ATOM 1923 OE1 GLN A 122 -9.193 9.003 -10.466 1.00 0.00 O flip ATOM 1924 NE2 GLN A 122 -8.158 8.522 -12.408 1.00 0.00 N flip ATOM 0 H GLN A 122 -11.080 4.856 -10.437 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.970 4.656 -13.101 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.659 5.565 -10.521 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.094 5.861 -12.153 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -10.422 7.002 -12.538 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.562 7.000 -10.791 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -8.041 7.902 -13.209 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -7.592 9.367 -12.330 1.00 0.00 H new ATOM 1933 N LYS A 123 -8.164 2.930 -12.883 1.00 0.00 N ATOM 1934 CA LYS A 123 -7.331 1.740 -12.857 1.00 0.00 C ATOM 1935 C LYS A 123 -5.971 2.088 -12.248 1.00 0.00 C ATOM 1936 O LYS A 123 -5.000 1.354 -12.428 1.00 0.00 O ATOM 1937 CB LYS A 123 -7.238 1.119 -14.253 1.00 0.00 C ATOM 1938 CG LYS A 123 -6.847 -0.358 -14.171 1.00 0.00 C ATOM 1939 CD LYS A 123 -6.647 -0.949 -15.568 1.00 0.00 C ATOM 1940 CE LYS A 123 -7.948 -0.911 -16.372 1.00 0.00 C ATOM 1941 NZ LYS A 123 -8.387 -2.282 -16.713 1.00 0.00 N ATOM 0 H LYS A 123 -8.080 3.491 -13.731 1.00 0.00 H new ATOM 0 HA LYS A 123 -7.780 0.976 -12.223 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -8.196 1.217 -14.763 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.503 1.661 -14.848 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -5.929 -0.464 -13.592 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.622 -0.915 -13.644 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -5.873 -0.391 -16.095 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -6.297 -1.978 -15.485 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -8.724 -0.407 -15.796 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -7.802 -0.332 -17.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -9.271 -2.238 -17.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -7.653 -2.750 -17.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.546 -2.823 -15.839 1.00 0.00 H new ATOM 1955 N ALA A 124 -5.945 3.207 -11.539 1.00 0.00 N ATOM 1956 CA ALA A 124 -4.720 3.661 -10.902 1.00 0.00 C ATOM 1957 C ALA A 124 -4.695 3.176 -9.451 1.00 0.00 C ATOM 1958 O ALA A 124 -3.714 2.581 -9.009 1.00 0.00 O ATOM 1959 CB ALA A 124 -4.623 5.184 -11.010 1.00 0.00 C ATOM 0 H ALA A 124 -6.752 3.813 -11.392 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.848 3.242 -11.404 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.704 5.525 -10.532 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.615 5.474 -12.061 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.480 5.639 -10.514 1.00 0.00 H new ATOM 1965 N ILE A 125 -5.786 3.449 -8.751 1.00 0.00 N ATOM 1966 CA ILE A 125 -5.902 3.048 -7.359 1.00 0.00 C ATOM 1967 C ILE A 125 -5.662 1.541 -7.245 1.00 0.00 C ATOM 1968 O ILE A 125 -5.201 1.059 -6.212 1.00 0.00 O ATOM 1969 CB ILE A 125 -7.243 3.503 -6.780 1.00 0.00 C ATOM 1970 CG1 ILE A 125 -8.358 2.521 -7.143 1.00 0.00 C ATOM 1971 CG2 ILE A 125 -7.572 4.932 -7.216 1.00 0.00 C ATOM 1972 CD1 ILE A 125 -9.735 3.138 -6.890 1.00 0.00 C ATOM 0 H ILE A 125 -6.598 3.943 -9.122 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.138 3.539 -6.756 1.00 0.00 H new ATOM 0 HB ILE A 125 -7.162 3.509 -5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.270 2.237 -8.192 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -8.250 1.609 -6.555 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -8.530 5.231 -6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.793 5.608 -6.865 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.628 4.977 -8.304 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -10.510 2.419 -7.156 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.829 3.399 -5.836 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.849 4.036 -7.498 1.00 0.00 H new ATOM 1984 N LEU A 126 -5.986 0.840 -8.322 1.00 0.00 N ATOM 1985 CA LEU A 126 -5.811 -0.602 -8.356 1.00 0.00 C ATOM 1986 C LEU A 126 -4.320 -0.934 -8.265 1.00 0.00 C ATOM 1987 O LEU A 126 -3.583 -0.762 -9.234 1.00 0.00 O ATOM 1988 CB LEU A 126 -6.499 -1.196 -9.586 1.00 0.00 C ATOM 1989 CG LEU A 126 -7.965 -0.806 -9.789 1.00 0.00 C ATOM 1990 CD1 LEU A 126 -8.610 -1.651 -10.889 1.00 0.00 C ATOM 1991 CD2 LEU A 126 -8.742 -0.888 -8.473 1.00 0.00 C ATOM 0 H LEU A 126 -6.368 1.244 -9.177 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.293 -1.064 -7.495 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.938 -0.897 -10.471 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.438 -2.282 -9.522 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.999 0.232 -10.119 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.651 -1.354 -11.013 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.075 -1.498 -11.826 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.564 -2.704 -10.613 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -9.781 -0.606 -8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.702 -1.908 -8.090 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.298 -0.209 -7.745 1.00 0.00 H new ATOM 2003 N PHE A 127 -3.922 -1.403 -7.091 1.00 0.00 N ATOM 2004 CA PHE A 127 -2.532 -1.760 -6.862 1.00 0.00 C ATOM 2005 C PHE A 127 -2.403 -3.231 -6.461 1.00 0.00 C ATOM 2006 O PHE A 127 -3.173 -3.723 -5.638 1.00 0.00 O ATOM 2007 CB PHE A 127 -2.030 -0.884 -5.712 1.00 0.00 C ATOM 2008 CG PHE A 127 -1.117 0.261 -6.154 1.00 0.00 C ATOM 2009 CD1 PHE A 127 -1.242 0.786 -7.403 1.00 0.00 C ATOM 2010 CD2 PHE A 127 -0.182 0.755 -5.300 1.00 0.00 C ATOM 2011 CE1 PHE A 127 -0.395 1.850 -7.814 1.00 0.00 C ATOM 2012 CE2 PHE A 127 0.665 1.818 -5.711 1.00 0.00 C ATOM 2013 CZ PHE A 127 0.540 2.343 -6.959 1.00 0.00 C ATOM 0 H PHE A 127 -4.537 -1.544 -6.289 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.953 -1.608 -7.773 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -2.888 -0.468 -5.185 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.492 -1.510 -5.000 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -1.985 0.394 -8.082 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -0.083 0.339 -4.308 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.494 2.267 -8.805 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.408 2.209 -5.032 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.184 3.152 -7.271 1.00 0.00 H new ATOM 2023 N LEU A 128 -1.424 -3.891 -7.062 1.00 0.00 N ATOM 2024 CA LEU A 128 -1.184 -5.295 -6.778 1.00 0.00 C ATOM 2025 C LEU A 128 0.231 -5.464 -6.220 1.00 0.00 C ATOM 2026 O LEU A 128 1.211 -5.237 -6.927 1.00 0.00 O ATOM 2027 CB LEU A 128 -1.462 -6.148 -8.018 1.00 0.00 C ATOM 2028 CG LEU A 128 -2.510 -7.250 -7.853 1.00 0.00 C ATOM 2029 CD1 LEU A 128 -2.646 -8.074 -9.135 1.00 0.00 C ATOM 2030 CD2 LEU A 128 -2.196 -8.127 -6.639 1.00 0.00 C ATOM 0 H LEU A 128 -0.788 -3.479 -7.745 1.00 0.00 H new ATOM 0 HA LEU A 128 -1.873 -5.652 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.782 -5.488 -8.824 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.526 -6.608 -8.335 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.476 -6.779 -7.669 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.397 -8.850 -8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.950 -7.423 -9.955 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -1.688 -8.536 -9.374 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.956 -8.903 -6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -1.218 -8.591 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -2.190 -7.513 -5.738 1.00 0.00 H new ATOM 2042 N PRO A 129 0.293 -5.873 -4.925 1.00 0.00 N ATOM 2043 CA PRO A 129 1.571 -6.075 -4.264 1.00 0.00 C ATOM 2044 C PRO A 129 2.235 -7.368 -4.739 1.00 0.00 C ATOM 2045 O PRO A 129 1.743 -8.461 -4.463 1.00 0.00 O ATOM 2046 CB PRO A 129 1.249 -6.083 -2.778 1.00 0.00 C ATOM 2047 CG PRO A 129 -0.244 -6.351 -2.677 1.00 0.00 C ATOM 2048 CD PRO A 129 -0.848 -6.151 -4.057 1.00 0.00 C ATOM 0 HA PRO A 129 2.293 -5.293 -4.497 1.00 0.00 H new ATOM 0 HB2 PRO A 129 1.820 -6.853 -2.259 1.00 0.00 H new ATOM 0 HB3 PRO A 129 1.507 -5.129 -2.317 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -0.427 -7.366 -2.324 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -0.705 -5.675 -1.957 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -1.388 -7.039 -4.385 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -1.560 -5.325 -4.062 1.00 0.00 H new ATOM 2056 N LEU A 130 3.343 -7.202 -5.446 1.00 0.00 N ATOM 2057 CA LEU A 130 4.080 -8.342 -5.963 1.00 0.00 C ATOM 2058 C LEU A 130 5.163 -8.742 -4.959 1.00 0.00 C ATOM 2059 O LEU A 130 5.799 -7.881 -4.351 1.00 0.00 O ATOM 2060 CB LEU A 130 4.620 -8.043 -7.363 1.00 0.00 C ATOM 2061 CG LEU A 130 3.606 -8.130 -8.506 1.00 0.00 C ATOM 2062 CD1 LEU A 130 2.885 -9.480 -8.496 1.00 0.00 C ATOM 2063 CD2 LEU A 130 2.626 -6.956 -8.461 1.00 0.00 C ATOM 0 H LEU A 130 3.748 -6.294 -5.673 1.00 0.00 H new ATOM 0 HA LEU A 130 3.419 -9.201 -6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.048 -7.041 -7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.434 -8.737 -7.573 1.00 0.00 H new ATOM 0 HG LEU A 130 4.147 -8.060 -9.450 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.170 -9.517 -9.318 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.613 -10.282 -8.613 1.00 0.00 H new ATOM 0 HD13 LEU A 130 2.357 -9.604 -7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.917 -7.042 -9.284 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.086 -6.969 -7.514 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.176 -6.019 -8.553 1.00 0.00 H new ATOM 2075 N PRO A 131 5.345 -10.081 -4.812 1.00 0.00 N ATOM 2076 CA PRO A 131 6.340 -10.605 -3.891 1.00 0.00 C ATOM 2077 C PRO A 131 7.752 -10.440 -4.459 1.00 0.00 C ATOM 2078 O PRO A 131 7.971 -10.637 -5.653 1.00 0.00 O ATOM 2079 CB PRO A 131 5.952 -12.059 -3.677 1.00 0.00 C ATOM 2080 CG PRO A 131 5.037 -12.421 -4.836 1.00 0.00 C ATOM 2081 CD PRO A 131 4.611 -11.129 -5.515 1.00 0.00 C ATOM 0 HA PRO A 131 6.359 -10.069 -2.942 1.00 0.00 H new ATOM 0 HB2 PRO A 131 6.833 -12.700 -3.660 1.00 0.00 H new ATOM 0 HB3 PRO A 131 5.444 -12.191 -2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 131 5.554 -13.071 -5.542 1.00 0.00 H new ATOM 0 HG3 PRO A 131 4.166 -12.969 -4.478 1.00 0.00 H new ATOM 0 HD2 PRO A 131 4.857 -11.140 -6.577 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.534 -10.978 -5.438 1.00 0.00 H new ATOM 2089 N VAL A 132 8.672 -10.082 -3.575 1.00 0.00 N ATOM 2090 CA VAL A 132 10.056 -9.889 -3.973 1.00 0.00 C ATOM 2091 C VAL A 132 10.977 -10.374 -2.851 1.00 0.00 C ATOM 2092 O VAL A 132 10.615 -10.315 -1.677 1.00 0.00 O ATOM 2093 CB VAL A 132 10.293 -8.426 -4.351 1.00 0.00 C ATOM 2094 CG1 VAL A 132 10.387 -7.546 -3.103 1.00 0.00 C ATOM 2095 CG2 VAL A 132 11.543 -8.279 -5.221 1.00 0.00 C ATOM 0 H VAL A 132 8.486 -9.921 -2.585 1.00 0.00 H new ATOM 0 HA VAL A 132 10.284 -10.480 -4.860 1.00 0.00 H new ATOM 0 HB VAL A 132 9.437 -8.089 -4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 132 10.556 -6.511 -3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 132 9.457 -7.615 -2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.215 -7.885 -2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 132 11.688 -7.229 -5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.412 -8.643 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 132 11.421 -8.860 -6.135 1.00 0.00 H new