USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 803 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 61 TYR OH : rot -140:sc= -0.704 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 60 THR OG1 : rot 180:sc= -0.119 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -18:sc= -0.831 USER MOD Single : A 16 TYR OH : rot 131:sc= -0.0784 USER MOD Single : A 17 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.52) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.25) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 53 HIS : no HE2:sc= -3.49! C(o=-3.5!,f=-7.4!) USER MOD Single : A 54 LYS NZ :NH3+ -115:sc= -0.251 (180deg=-2.09!) USER MOD Single : A 55 ASN : amide:sc= -0.921 X(o=-0.92,f=-0.44) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.254 K(o=-0.25,f=-1.7) USER MOD Single : A 59 MET CE :methyl 160:sc= -0.851 (180deg=-2) USER MOD Single : A 64 MET CE :methyl -142:sc= -0.157 (180deg=-1.94!) USER MOD Single : A 70 HIS : no HE2:sc= -0.988 K(o=-0.99,f=-3.1!) USER MOD Single : A 71 TYR OH : rot 157:sc= 0.463 USER MOD Single : A 72 TYR OH : rot -54:sc= 0.0188 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -162:sc= 0.701 (180deg=0.284) USER MOD Single : A 83 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.5) USER MOD Single : A 90 MET CE :methyl -130:sc= -0.464 (180deg=-1.96!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -3.11! C(o=-3.1!,f=-8.8!) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 10 -9.888 11.738 11.514 1.00 0.00 N ATOM 102 CA LEU A 10 -8.437 11.693 11.366 1.00 0.00 C ATOM 103 C LEU A 10 -8.038 10.843 10.164 1.00 0.00 C ATOM 104 O LEU A 10 -8.893 10.296 9.466 1.00 0.00 O ATOM 105 CB LEU A 10 -7.792 11.136 12.636 1.00 0.00 C ATOM 106 CG LEU A 10 -8.128 11.867 13.936 1.00 0.00 C ATOM 107 CD1 LEU A 10 -8.099 10.905 15.113 1.00 0.00 C ATOM 108 CD2 LEU A 10 -7.162 13.021 14.164 1.00 0.00 C ATOM 0 HA LEU A 10 -8.082 12.710 11.202 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.089 10.093 12.742 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.710 11.148 12.505 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.136 12.274 13.851 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.341 11.444 16.029 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.831 10.113 14.954 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.105 10.467 15.201 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.416 13.530 15.094 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.144 12.636 14.227 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.233 13.724 13.334 1.00 0.00 H new ATOM 120 N LEU A 11 -6.735 10.733 9.930 1.00 0.00 N ATOM 121 CA LEU A 11 -6.222 9.947 8.814 1.00 0.00 C ATOM 122 C LEU A 11 -5.587 8.651 9.307 1.00 0.00 C ATOM 123 O LEU A 11 -6.073 7.559 9.012 1.00 0.00 O ATOM 124 CB LEU A 11 -5.198 10.760 8.019 1.00 0.00 C ATOM 125 CG LEU A 11 -4.108 9.956 7.309 1.00 0.00 C ATOM 126 CD1 LEU A 11 -4.727 8.936 6.365 1.00 0.00 C ATOM 127 CD2 LEU A 11 -3.168 10.884 6.553 1.00 0.00 C ATOM 0 H LEU A 11 -6.015 11.178 10.498 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.060 9.695 8.164 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.732 11.349 7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.718 11.465 8.698 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.529 9.420 8.061 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.937 8.373 5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.358 8.252 6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.330 9.451 5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.399 10.295 6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.733 11.447 5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.699 11.575 7.253 1.00 0.00 H new ATOM 139 N TRP A 12 -4.502 8.779 10.061 1.00 0.00 N ATOM 140 CA TRP A 12 -3.801 7.618 10.597 1.00 0.00 C ATOM 141 C TRP A 12 -4.779 6.492 10.916 1.00 0.00 C ATOM 142 O TRP A 12 -4.500 5.322 10.652 1.00 0.00 O ATOM 143 CB TRP A 12 -3.021 8.003 11.855 1.00 0.00 C ATOM 144 CG TRP A 12 -3.876 8.083 13.083 1.00 0.00 C ATOM 145 CD1 TRP A 12 -4.902 8.955 13.313 1.00 0.00 C ATOM 146 CD2 TRP A 12 -3.777 7.261 14.251 1.00 0.00 C ATOM 147 NE1 TRP A 12 -5.446 8.724 14.553 1.00 0.00 N ATOM 148 CE2 TRP A 12 -4.775 7.689 15.148 1.00 0.00 C ATOM 149 CE3 TRP A 12 -2.944 6.203 14.625 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -4.959 7.096 16.394 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -3.128 5.616 15.863 1.00 0.00 C ATOM 152 CH2 TRP A 12 -4.129 6.063 16.735 1.00 0.00 C ATOM 0 H TRP A 12 -4.088 9.676 10.315 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.102 7.265 9.839 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.228 7.273 12.020 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.538 8.967 11.694 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.236 9.714 12.622 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.224 9.240 14.964 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.170 5.850 13.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.730 7.439 17.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.489 4.799 16.163 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.248 5.583 17.695 1.00 0.00 H new ATOM 163 N ASP A 13 -5.925 6.853 11.483 1.00 0.00 N ATOM 164 CA ASP A 13 -6.945 5.872 11.836 1.00 0.00 C ATOM 165 C ASP A 13 -7.658 5.356 10.590 1.00 0.00 C ATOM 166 O ASP A 13 -7.854 4.152 10.428 1.00 0.00 O ATOM 167 CB ASP A 13 -7.960 6.485 12.802 1.00 0.00 C ATOM 168 CG ASP A 13 -8.483 7.824 12.319 1.00 0.00 C ATOM 169 OD1 ASP A 13 -7.908 8.373 11.356 1.00 0.00 O ATOM 170 OD2 ASP A 13 -9.467 8.323 12.904 1.00 0.00 O ATOM 0 H ASP A 13 -6.171 7.817 11.708 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.452 5.032 12.324 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.796 5.797 12.931 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.496 6.611 13.780 1.00 0.00 H new ATOM 175 N TYR A 14 -8.043 6.276 9.712 1.00 0.00 N ATOM 176 CA TYR A 14 -8.737 5.914 8.482 1.00 0.00 C ATOM 177 C TYR A 14 -8.133 4.657 7.865 1.00 0.00 C ATOM 178 O TYR A 14 -8.800 3.931 7.128 1.00 0.00 O ATOM 179 CB TYR A 14 -8.676 7.068 7.479 1.00 0.00 C ATOM 180 CG TYR A 14 -8.889 6.636 6.046 1.00 0.00 C ATOM 181 CD1 TYR A 14 -10.169 6.512 5.520 1.00 0.00 C ATOM 182 CD2 TYR A 14 -7.810 6.352 5.218 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.368 6.118 4.211 1.00 0.00 C ATOM 184 CE2 TYR A 14 -8.000 5.958 3.907 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.281 5.842 3.409 1.00 0.00 C ATOM 186 OH TYR A 14 -9.474 5.449 2.104 1.00 0.00 O ATOM 0 H TYR A 14 -7.886 7.277 9.829 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.779 5.710 8.729 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.432 7.808 7.743 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.706 7.559 7.561 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.023 6.727 6.145 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.806 6.441 5.605 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.370 6.027 3.818 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.150 5.742 3.276 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.397 5.140 1.988 1.00 0.00 H new ATOM 196 N VAL A 15 -6.865 4.405 8.172 1.00 0.00 N ATOM 197 CA VAL A 15 -6.169 3.235 7.650 1.00 0.00 C ATOM 198 C VAL A 15 -6.925 1.953 7.982 1.00 0.00 C ATOM 199 O VAL A 15 -7.421 1.263 7.091 1.00 0.00 O ATOM 200 CB VAL A 15 -4.739 3.135 8.213 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.072 1.849 7.750 1.00 0.00 C ATOM 202 CG2 VAL A 15 -3.919 4.348 7.801 1.00 0.00 C ATOM 0 H VAL A 15 -6.298 4.996 8.780 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.118 3.354 6.568 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.796 3.116 9.301 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.062 1.796 8.158 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.650 0.993 8.099 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.025 1.835 6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.911 4.261 8.207 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.868 4.401 6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.389 5.253 8.187 1.00 0.00 H new ATOM 212 N TYR A 16 -7.009 1.640 9.270 1.00 0.00 N ATOM 213 CA TYR A 16 -7.703 0.439 9.721 1.00 0.00 C ATOM 214 C TYR A 16 -9.057 0.301 9.031 1.00 0.00 C ATOM 215 O TYR A 16 -9.370 -0.744 8.461 1.00 0.00 O ATOM 216 CB TYR A 16 -7.893 0.474 11.239 1.00 0.00 C ATOM 217 CG TYR A 16 -6.753 -0.157 12.006 1.00 0.00 C ATOM 218 CD1 TYR A 16 -6.651 -1.537 12.129 1.00 0.00 C ATOM 219 CD2 TYR A 16 -5.777 0.628 12.607 1.00 0.00 C ATOM 220 CE1 TYR A 16 -5.612 -2.117 12.830 1.00 0.00 C ATOM 221 CE2 TYR A 16 -4.733 0.057 13.309 1.00 0.00 C ATOM 222 CZ TYR A 16 -4.655 -1.316 13.418 1.00 0.00 C ATOM 223 OH TYR A 16 -3.617 -1.890 14.116 1.00 0.00 O ATOM 0 H TYR A 16 -6.605 2.201 10.020 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.091 -0.424 9.458 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.006 1.510 11.559 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.820 -0.041 11.493 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.397 -2.167 11.668 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.835 1.703 12.524 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.549 -3.192 12.917 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.982 0.682 13.770 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.768 -1.504 13.816 1.00 0.00 H new ATOM 233 N GLN A 17 -9.854 1.363 9.088 1.00 0.00 N ATOM 234 CA GLN A 17 -11.174 1.361 8.468 1.00 0.00 C ATOM 235 C GLN A 17 -11.143 0.640 7.124 1.00 0.00 C ATOM 236 O GLN A 17 -12.153 0.092 6.679 1.00 0.00 O ATOM 237 CB GLN A 17 -11.675 2.794 8.280 1.00 0.00 C ATOM 238 CG GLN A 17 -12.252 3.407 9.546 1.00 0.00 C ATOM 239 CD GLN A 17 -13.383 2.584 10.130 1.00 0.00 C ATOM 240 OE1 GLN A 17 -14.202 2.027 9.400 1.00 0.00 O ATOM 241 NE2 GLN A 17 -13.434 2.504 11.455 1.00 0.00 N ATOM 0 H GLN A 17 -9.609 2.235 9.557 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.857 0.829 9.130 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.851 3.415 7.928 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.437 2.804 7.501 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.461 3.509 10.289 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.614 4.411 9.326 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.734 2.982 12.022 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -14.173 1.964 11.905 1.00 0.00 H new ATOM 250 N LEU A 18 -9.980 0.645 6.482 1.00 0.00 N ATOM 251 CA LEU A 18 -9.818 -0.009 5.188 1.00 0.00 C ATOM 252 C LEU A 18 -9.438 -1.476 5.363 1.00 0.00 C ATOM 253 O LEU A 18 -10.152 -2.371 4.911 1.00 0.00 O ATOM 254 CB LEU A 18 -8.752 0.711 4.361 1.00 0.00 C ATOM 255 CG LEU A 18 -9.056 2.164 3.993 1.00 0.00 C ATOM 256 CD1 LEU A 18 -7.915 2.760 3.183 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.365 2.257 3.223 1.00 0.00 C ATOM 0 H LEU A 18 -9.136 1.094 6.836 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.771 0.040 4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.813 0.686 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.594 0.149 3.440 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.158 2.738 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.149 3.794 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.997 2.729 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.780 2.185 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.565 3.298 2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.292 1.669 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.177 1.871 3.839 1.00 0.00 H new ATOM 269 N LEU A 19 -8.310 -1.714 6.023 1.00 0.00 N ATOM 270 CA LEU A 19 -7.835 -3.073 6.260 1.00 0.00 C ATOM 271 C LEU A 19 -9.000 -4.014 6.554 1.00 0.00 C ATOM 272 O LEU A 19 -9.129 -5.070 5.935 1.00 0.00 O ATOM 273 CB LEU A 19 -6.843 -3.092 7.424 1.00 0.00 C ATOM 274 CG LEU A 19 -5.381 -2.828 7.064 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.984 -3.619 5.828 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.146 -1.340 6.846 1.00 0.00 C ATOM 0 H LEU A 19 -7.707 -0.984 6.403 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.332 -3.418 5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.157 -2.347 8.155 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.906 -4.064 7.913 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.757 -3.156 7.895 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.940 -3.418 5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.114 -4.684 6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.613 -3.323 4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.100 -1.170 6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.780 -0.987 6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.390 -0.796 7.758 1.00 0.00 H new ATOM 288 N SER A 20 -9.846 -3.621 7.501 1.00 0.00 N ATOM 289 CA SER A 20 -10.999 -4.430 7.878 1.00 0.00 C ATOM 290 C SER A 20 -11.624 -5.091 6.653 1.00 0.00 C ATOM 291 O SER A 20 -11.699 -6.316 6.566 1.00 0.00 O ATOM 292 CB SER A 20 -12.041 -3.568 8.593 1.00 0.00 C ATOM 293 OG SER A 20 -13.236 -4.295 8.820 1.00 0.00 O ATOM 0 H SER A 20 -9.755 -2.748 8.021 1.00 0.00 H new ATOM 0 HA SER A 20 -10.657 -5.212 8.556 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.638 -3.219 9.544 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.258 -2.683 7.995 1.00 0.00 H new ATOM 0 HG SER A 20 -13.885 -3.722 9.279 1.00 0.00 H new ATOM 299 N ASP A 21 -12.069 -4.270 5.709 1.00 0.00 N ATOM 300 CA ASP A 21 -12.686 -4.773 4.487 1.00 0.00 C ATOM 301 C ASP A 21 -11.706 -5.636 3.699 1.00 0.00 C ATOM 302 O ASP A 21 -10.500 -5.389 3.708 1.00 0.00 O ATOM 303 CB ASP A 21 -13.173 -3.610 3.620 1.00 0.00 C ATOM 304 CG ASP A 21 -14.366 -2.896 4.226 1.00 0.00 C ATOM 305 OD1 ASP A 21 -14.533 -2.964 5.461 1.00 0.00 O ATOM 306 OD2 ASP A 21 -15.133 -2.271 3.464 1.00 0.00 O ATOM 0 H ASP A 21 -12.014 -3.253 5.766 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.540 -5.389 4.767 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.359 -2.898 3.481 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.441 -3.984 2.632 1.00 0.00 H new ATOM 311 N SER A 22 -12.233 -6.649 3.018 1.00 0.00 N ATOM 312 CA SER A 22 -11.403 -7.552 2.228 1.00 0.00 C ATOM 313 C SER A 22 -11.369 -7.119 0.766 1.00 0.00 C ATOM 314 O SER A 22 -10.449 -7.468 0.026 1.00 0.00 O ATOM 315 CB SER A 22 -11.929 -8.985 2.335 1.00 0.00 C ATOM 316 OG SER A 22 -13.286 -9.062 1.934 1.00 0.00 O ATOM 0 H SER A 22 -13.230 -6.865 2.997 1.00 0.00 H new ATOM 0 HA SER A 22 -10.388 -7.514 2.624 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.325 -9.645 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.830 -9.336 3.362 1.00 0.00 H new ATOM 0 HG SER A 22 -13.598 -9.988 2.010 1.00 0.00 H new ATOM 322 N ARG A 23 -12.377 -6.355 0.358 1.00 0.00 N ATOM 323 CA ARG A 23 -12.464 -5.875 -1.016 1.00 0.00 C ATOM 324 C ARG A 23 -11.467 -4.745 -1.260 1.00 0.00 C ATOM 325 O ARG A 23 -11.342 -4.246 -2.379 1.00 0.00 O ATOM 326 CB ARG A 23 -13.883 -5.392 -1.321 1.00 0.00 C ATOM 327 CG ARG A 23 -14.947 -6.456 -1.109 1.00 0.00 C ATOM 328 CD ARG A 23 -16.311 -5.835 -0.849 1.00 0.00 C ATOM 329 NE ARG A 23 -17.287 -6.826 -0.402 1.00 0.00 N ATOM 330 CZ ARG A 23 -17.373 -7.259 0.850 1.00 0.00 C ATOM 331 NH1 ARG A 23 -16.547 -6.791 1.776 1.00 0.00 N ATOM 332 NH2 ARG A 23 -18.288 -8.162 1.179 1.00 0.00 N ATOM 0 H ARG A 23 -13.145 -6.055 0.959 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.219 -6.703 -1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.109 -4.533 -0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.926 -5.048 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.000 -7.099 -1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.668 -7.089 -0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.216 -5.054 -0.095 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.671 -5.357 -1.760 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.938 -7.206 -1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.843 -6.096 1.527 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.616 -7.126 2.737 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.926 -8.524 0.470 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.354 -8.494 2.141 1.00 0.00 H new ATOM 346 N TYR A 24 -10.761 -4.348 -0.208 1.00 0.00 N ATOM 347 CA TYR A 24 -9.778 -3.276 -0.307 1.00 0.00 C ATOM 348 C TYR A 24 -8.360 -3.824 -0.175 1.00 0.00 C ATOM 349 O TYR A 24 -7.384 -3.097 -0.355 1.00 0.00 O ATOM 350 CB TYR A 24 -10.032 -2.221 0.771 1.00 0.00 C ATOM 351 CG TYR A 24 -11.367 -1.525 0.634 1.00 0.00 C ATOM 352 CD1 TYR A 24 -12.554 -2.247 0.649 1.00 0.00 C ATOM 353 CD2 TYR A 24 -11.442 -0.145 0.490 1.00 0.00 C ATOM 354 CE1 TYR A 24 -13.776 -1.616 0.523 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.659 0.495 0.365 1.00 0.00 C ATOM 356 CZ TYR A 24 -13.824 -0.244 0.382 1.00 0.00 C ATOM 357 OH TYR A 24 -15.039 0.390 0.257 1.00 0.00 O ATOM 0 H TYR A 24 -10.851 -4.753 0.724 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.880 -2.814 -1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.978 -2.695 1.751 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.237 -1.476 0.733 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.520 -3.321 0.761 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.532 0.437 0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.689 -2.193 0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.699 1.569 0.254 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.897 1.355 0.168 1.00 0.00 H new ATOM 367 N GLU A 25 -8.257 -5.111 0.141 1.00 0.00 N ATOM 368 CA GLU A 25 -6.959 -5.756 0.298 1.00 0.00 C ATOM 369 C GLU A 25 -5.966 -5.243 -0.741 1.00 0.00 C ATOM 370 O GLU A 25 -4.865 -4.812 -0.403 1.00 0.00 O ATOM 371 CB GLU A 25 -7.101 -7.275 0.176 1.00 0.00 C ATOM 372 CG GLU A 25 -6.258 -8.048 1.176 1.00 0.00 C ATOM 373 CD GLU A 25 -5.812 -9.396 0.644 1.00 0.00 C ATOM 374 OE1 GLU A 25 -6.605 -10.042 -0.074 1.00 0.00 O ATOM 375 OE2 GLU A 25 -4.672 -9.806 0.946 1.00 0.00 O ATOM 0 H GLU A 25 -9.056 -5.727 0.293 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.579 -5.512 1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.148 -7.545 0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.821 -7.578 -0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.381 -7.457 1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.831 -8.194 2.092 1.00 0.00 H new ATOM 382 N ASN A 26 -6.366 -5.293 -2.008 1.00 0.00 N ATOM 383 CA ASN A 26 -5.512 -4.833 -3.098 1.00 0.00 C ATOM 384 C ASN A 26 -4.927 -3.459 -2.788 1.00 0.00 C ATOM 385 O ASN A 26 -3.708 -3.287 -2.742 1.00 0.00 O ATOM 386 CB ASN A 26 -6.304 -4.780 -4.406 1.00 0.00 C ATOM 387 CG ASN A 26 -7.106 -6.044 -4.648 1.00 0.00 C ATOM 388 OD1 ASN A 26 -6.572 -7.052 -5.111 1.00 0.00 O ATOM 389 ND2 ASN A 26 -8.396 -5.995 -4.336 1.00 0.00 N ATOM 0 H ASN A 26 -7.275 -5.647 -2.305 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.691 -5.541 -3.207 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.978 -3.924 -4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.617 -4.624 -5.238 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.986 -6.815 -4.478 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.796 -5.138 -3.955 1.00 0.00 H new ATOM 396 N PHE A 27 -5.803 -2.483 -2.576 1.00 0.00 N ATOM 397 CA PHE A 27 -5.374 -1.123 -2.271 1.00 0.00 C ATOM 398 C PHE A 27 -4.433 -1.106 -1.069 1.00 0.00 C ATOM 399 O PHE A 27 -3.400 -0.437 -1.087 1.00 0.00 O ATOM 400 CB PHE A 27 -6.587 -0.232 -1.995 1.00 0.00 C ATOM 401 CG PHE A 27 -7.349 0.144 -3.234 1.00 0.00 C ATOM 402 CD1 PHE A 27 -6.690 0.659 -4.338 1.00 0.00 C ATOM 403 CD2 PHE A 27 -8.724 -0.018 -3.293 1.00 0.00 C ATOM 404 CE1 PHE A 27 -7.388 1.005 -5.480 1.00 0.00 C ATOM 405 CE2 PHE A 27 -9.426 0.327 -4.432 1.00 0.00 C ATOM 406 CZ PHE A 27 -8.758 0.840 -5.527 1.00 0.00 C ATOM 0 H PHE A 27 -6.815 -2.608 -2.610 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.837 -0.736 -3.137 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.258 -0.748 -1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.254 0.676 -1.493 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.619 0.792 -4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.252 -0.418 -2.440 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.862 1.404 -6.335 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.497 0.196 -4.466 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.306 1.111 -6.417 1.00 0.00 H new ATOM 416 N ILE A 28 -4.799 -1.846 -0.029 1.00 0.00 N ATOM 417 CA ILE A 28 -3.989 -1.917 1.181 1.00 0.00 C ATOM 418 C ILE A 28 -4.264 -3.204 1.952 1.00 0.00 C ATOM 419 O ILE A 28 -5.417 -3.551 2.209 1.00 0.00 O ATOM 420 CB ILE A 28 -4.248 -0.712 2.104 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.450 -0.855 3.402 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.735 -0.584 2.401 1.00 0.00 C ATOM 423 CD1 ILE A 28 -3.471 0.387 4.264 1.00 0.00 C ATOM 0 H ILE A 28 -5.651 -2.405 0.001 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.946 -1.903 0.864 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.919 0.194 1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.850 -1.692 3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.416 -1.101 3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.903 0.272 3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.281 -0.442 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.087 -1.491 2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.885 0.213 5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.043 1.222 3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.499 0.622 4.538 1.00 0.00 H new ATOM 435 N ARG A 29 -3.197 -3.905 2.321 1.00 0.00 N ATOM 436 CA ARG A 29 -3.323 -5.153 3.065 1.00 0.00 C ATOM 437 C ARG A 29 -2.322 -5.204 4.215 1.00 0.00 C ATOM 438 O ARG A 29 -1.432 -4.360 4.314 1.00 0.00 O ATOM 439 CB ARG A 29 -3.110 -6.349 2.135 1.00 0.00 C ATOM 440 CG ARG A 29 -1.698 -6.445 1.580 1.00 0.00 C ATOM 441 CD ARG A 29 -1.665 -7.218 0.272 1.00 0.00 C ATOM 442 NE ARG A 29 -1.447 -8.646 0.485 1.00 0.00 N ATOM 443 CZ ARG A 29 -1.090 -9.488 -0.479 1.00 0.00 C ATOM 444 NH1 ARG A 29 -0.912 -9.046 -1.716 1.00 0.00 N ATOM 445 NH2 ARG A 29 -0.911 -10.774 -0.206 1.00 0.00 N ATOM 0 H ARG A 29 -2.236 -3.630 2.117 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.330 -5.199 3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.341 -7.266 2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.814 -6.283 1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.299 -5.443 1.422 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.052 -6.934 2.309 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.605 -7.070 -0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.873 -6.821 -0.363 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.576 -9.018 1.426 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.049 -8.058 -1.929 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.638 -9.694 -2.455 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.047 -11.117 0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.637 -11.419 -0.947 1.00 0.00 H new ATOM 459 N TRP A 30 -2.476 -6.198 5.082 1.00 0.00 N ATOM 460 CA TRP A 30 -1.586 -6.359 6.227 1.00 0.00 C ATOM 461 C TRP A 30 -0.299 -7.069 5.820 1.00 0.00 C ATOM 462 O TRP A 30 -0.332 -8.192 5.318 1.00 0.00 O ATOM 463 CB TRP A 30 -2.286 -7.143 7.337 1.00 0.00 C ATOM 464 CG TRP A 30 -3.248 -6.314 8.134 1.00 0.00 C ATOM 465 CD1 TRP A 30 -4.610 -6.409 8.129 1.00 0.00 C ATOM 466 CD2 TRP A 30 -2.920 -5.264 9.050 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.149 -5.481 8.987 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.133 -4.766 9.565 1.00 0.00 C ATOM 469 CE3 TRP A 30 -1.720 -4.697 9.487 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.178 -3.729 10.492 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -1.766 -3.667 10.407 1.00 0.00 C ATOM 472 CH2 TRP A 30 -2.988 -3.192 10.902 1.00 0.00 C ATOM 0 H TRP A 30 -3.208 -6.905 5.014 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.330 -5.367 6.599 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.821 -7.984 6.896 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.534 -7.560 8.007 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.180 -7.110 7.538 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.144 -5.346 9.165 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.773 -5.057 9.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.119 -3.361 10.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.845 -3.220 10.750 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.991 -2.386 11.621 1.00 0.00 H new ATOM 483 N GLU A 31 0.832 -6.406 6.040 1.00 0.00 N ATOM 484 CA GLU A 31 2.130 -6.975 5.695 1.00 0.00 C ATOM 485 C GLU A 31 2.532 -8.058 6.693 1.00 0.00 C ATOM 486 O GLU A 31 2.779 -9.203 6.316 1.00 0.00 O ATOM 487 CB GLU A 31 3.198 -5.880 5.655 1.00 0.00 C ATOM 488 CG GLU A 31 3.255 -5.134 4.333 1.00 0.00 C ATOM 489 CD GLU A 31 3.794 -5.990 3.203 1.00 0.00 C ATOM 490 OE1 GLU A 31 4.913 -6.525 3.345 1.00 0.00 O ATOM 491 OE2 GLU A 31 3.095 -6.124 2.177 1.00 0.00 O ATOM 0 H GLU A 31 0.876 -5.475 6.455 1.00 0.00 H new ATOM 0 HA GLU A 31 2.048 -7.428 4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.006 -5.167 6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.172 -6.327 5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.256 -4.784 4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.883 -4.250 4.446 1.00 0.00 H new ATOM 498 N ASP A 32 2.595 -7.685 7.966 1.00 0.00 N ATOM 499 CA ASP A 32 2.967 -8.623 9.019 1.00 0.00 C ATOM 500 C ASP A 32 2.032 -8.492 10.218 1.00 0.00 C ATOM 501 O ASP A 32 2.321 -7.764 11.168 1.00 0.00 O ATOM 502 CB ASP A 32 4.413 -8.385 9.456 1.00 0.00 C ATOM 503 CG ASP A 32 5.416 -8.906 8.446 1.00 0.00 C ATOM 504 OD1 ASP A 32 5.567 -8.275 7.379 1.00 0.00 O ATOM 505 OD2 ASP A 32 6.051 -9.945 8.722 1.00 0.00 O ATOM 0 H ASP A 32 2.393 -6.740 8.294 1.00 0.00 H new ATOM 0 HA ASP A 32 2.878 -9.633 8.620 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.573 -7.317 9.605 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.584 -8.870 10.417 1.00 0.00 H new ATOM 510 N LYS A 33 0.910 -9.202 10.167 1.00 0.00 N ATOM 511 CA LYS A 33 -0.068 -9.166 11.247 1.00 0.00 C ATOM 512 C LYS A 33 0.609 -9.359 12.601 1.00 0.00 C ATOM 513 O LYS A 33 0.198 -8.768 13.599 1.00 0.00 O ATOM 514 CB LYS A 33 -1.130 -10.248 11.038 1.00 0.00 C ATOM 515 CG LYS A 33 -2.289 -9.802 10.163 1.00 0.00 C ATOM 516 CD LYS A 33 -3.396 -9.166 10.987 1.00 0.00 C ATOM 517 CE LYS A 33 -4.759 -9.375 10.344 1.00 0.00 C ATOM 518 NZ LYS A 33 -5.849 -9.425 11.358 1.00 0.00 N ATOM 0 H LYS A 33 0.656 -9.810 9.388 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.548 -8.187 11.236 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.661 -11.123 10.588 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.517 -10.558 12.009 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.932 -9.089 9.420 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.686 -10.659 9.618 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.396 -9.593 11.990 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.203 -8.099 11.095 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.956 -8.567 9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.752 -10.303 9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.761 -9.569 10.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.675 -10.211 12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.872 -8.530 11.887 1.00 0.00 H new ATOM 532 N GLU A 34 1.648 -10.187 12.625 1.00 0.00 N ATOM 533 CA GLU A 34 2.381 -10.456 13.856 1.00 0.00 C ATOM 534 C GLU A 34 2.725 -9.157 14.580 1.00 0.00 C ATOM 535 O GLU A 34 2.607 -9.064 15.801 1.00 0.00 O ATOM 536 CB GLU A 34 3.662 -11.238 13.554 1.00 0.00 C ATOM 537 CG GLU A 34 4.538 -10.584 12.498 1.00 0.00 C ATOM 538 CD GLU A 34 5.807 -11.370 12.226 1.00 0.00 C ATOM 539 OE1 GLU A 34 6.796 -11.170 12.962 1.00 0.00 O ATOM 540 OE2 GLU A 34 5.810 -12.183 11.279 1.00 0.00 O ATOM 0 H GLU A 34 2.001 -10.683 11.807 1.00 0.00 H new ATOM 0 HA GLU A 34 1.742 -11.056 14.504 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.236 -11.348 14.474 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.396 -12.242 13.223 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.971 -10.484 11.572 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.801 -9.577 12.822 1.00 0.00 H new ATOM 547 N SER A 35 3.151 -8.156 13.816 1.00 0.00 N ATOM 548 CA SER A 35 3.516 -6.863 14.383 1.00 0.00 C ATOM 549 C SER A 35 2.593 -5.763 13.867 1.00 0.00 C ATOM 550 O SER A 35 2.981 -4.598 13.787 1.00 0.00 O ATOM 551 CB SER A 35 4.969 -6.526 14.045 1.00 0.00 C ATOM 552 OG SER A 35 5.857 -7.083 14.998 1.00 0.00 O ATOM 0 H SER A 35 3.252 -8.216 12.803 1.00 0.00 H new ATOM 0 HA SER A 35 3.408 -6.925 15.466 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.212 -6.905 13.052 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.097 -5.444 14.013 1.00 0.00 H new ATOM 0 HG SER A 35 6.779 -6.855 14.758 1.00 0.00 H new ATOM 558 N LYS A 36 1.369 -6.143 13.517 1.00 0.00 N ATOM 559 CA LYS A 36 0.388 -5.191 13.009 1.00 0.00 C ATOM 560 C LYS A 36 1.030 -4.223 12.021 1.00 0.00 C ATOM 561 O LYS A 36 0.857 -3.008 12.126 1.00 0.00 O ATOM 562 CB LYS A 36 -0.243 -4.412 14.165 1.00 0.00 C ATOM 563 CG LYS A 36 -1.391 -5.144 14.837 1.00 0.00 C ATOM 564 CD LYS A 36 -1.946 -4.355 16.011 1.00 0.00 C ATOM 565 CE LYS A 36 -2.870 -5.206 16.869 1.00 0.00 C ATOM 566 NZ LYS A 36 -3.901 -4.383 17.559 1.00 0.00 N ATOM 0 H LYS A 36 1.032 -7.104 13.576 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.389 -5.751 12.489 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.524 -4.197 14.909 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.603 -3.453 13.792 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.184 -5.323 14.111 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.049 -6.119 15.183 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.123 -3.981 16.621 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.489 -3.485 15.642 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.360 -5.953 16.244 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.281 -5.747 17.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.510 -5.000 18.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.434 -3.687 18.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.479 -3.887 16.852 1.00 0.00 H new ATOM 580 N ILE A 37 1.771 -4.768 11.062 1.00 0.00 N ATOM 581 CA ILE A 37 2.436 -3.952 10.054 1.00 0.00 C ATOM 582 C ILE A 37 1.637 -3.923 8.755 1.00 0.00 C ATOM 583 O ILE A 37 1.248 -4.966 8.229 1.00 0.00 O ATOM 584 CB ILE A 37 3.856 -4.470 9.758 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.717 -4.412 11.022 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.493 -3.660 8.639 1.00 0.00 C ATOM 587 CD1 ILE A 37 6.122 -4.934 10.820 1.00 0.00 C ATOM 0 H ILE A 37 1.926 -5.771 10.962 1.00 0.00 H new ATOM 0 HA ILE A 37 2.503 -2.942 10.459 1.00 0.00 H new ATOM 0 HB ILE A 37 3.788 -5.509 9.434 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.768 -3.380 11.370 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.233 -4.990 11.809 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.496 -4.038 8.442 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.888 -3.748 7.737 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.552 -2.613 8.936 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.675 -4.863 11.757 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.081 -5.976 10.501 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.624 -4.340 10.056 1.00 0.00 H new ATOM 599 N PHE A 38 1.397 -2.721 8.241 1.00 0.00 N ATOM 600 CA PHE A 38 0.646 -2.555 7.003 1.00 0.00 C ATOM 601 C PHE A 38 1.470 -1.802 5.963 1.00 0.00 C ATOM 602 O PHE A 38 2.426 -1.103 6.300 1.00 0.00 O ATOM 603 CB PHE A 38 -0.663 -1.809 7.272 1.00 0.00 C ATOM 604 CG PHE A 38 -0.471 -0.501 7.984 1.00 0.00 C ATOM 605 CD1 PHE A 38 0.007 -0.468 9.284 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.769 0.697 7.353 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.184 0.735 9.941 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.594 1.903 8.006 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.116 1.921 9.301 1.00 0.00 C ATOM 0 H PHE A 38 1.712 -1.848 8.663 1.00 0.00 H new ATOM 0 HA PHE A 38 0.417 -3.546 6.610 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.170 -1.627 6.324 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.319 -2.445 7.867 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.244 -1.393 9.790 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.142 0.688 6.340 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.557 0.747 10.955 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.831 2.829 7.504 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.023 2.862 9.813 1.00 0.00 H new ATOM 619 N ARG A 39 1.092 -1.950 4.697 1.00 0.00 N ATOM 620 CA ARG A 39 1.797 -1.285 3.607 1.00 0.00 C ATOM 621 C ARG A 39 0.826 -0.873 2.504 1.00 0.00 C ATOM 622 O ARG A 39 0.147 -1.714 1.915 1.00 0.00 O ATOM 623 CB ARG A 39 2.877 -2.205 3.034 1.00 0.00 C ATOM 624 CG ARG A 39 3.475 -1.702 1.731 1.00 0.00 C ATOM 625 CD ARG A 39 4.103 -2.834 0.933 1.00 0.00 C ATOM 626 NE ARG A 39 5.287 -3.378 1.592 1.00 0.00 N ATOM 627 CZ ARG A 39 6.206 -4.108 0.969 1.00 0.00 C ATOM 628 NH1 ARG A 39 6.078 -4.378 -0.323 1.00 0.00 N ATOM 629 NH2 ARG A 39 7.255 -4.567 1.638 1.00 0.00 N ATOM 0 H ARG A 39 0.302 -2.524 4.401 1.00 0.00 H new ATOM 0 HA ARG A 39 2.269 -0.387 4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.673 -2.319 3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.450 -3.195 2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.699 -1.222 1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.229 -0.944 1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.370 -3.628 0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.375 -2.471 -0.058 1.00 0.00 H new ATOM 0 HE ARG A 39 5.416 -3.187 2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.273 -4.025 -0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.785 -4.939 -0.799 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.357 -4.360 2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.960 -5.127 1.159 1.00 0.00 H new ATOM 643 N ILE A 40 0.767 0.426 2.231 1.00 0.00 N ATOM 644 CA ILE A 40 -0.120 0.949 1.199 1.00 0.00 C ATOM 645 C ILE A 40 0.236 0.381 -0.171 1.00 0.00 C ATOM 646 O ILE A 40 1.134 0.881 -0.848 1.00 0.00 O ATOM 647 CB ILE A 40 -0.063 2.487 1.135 1.00 0.00 C ATOM 648 CG1 ILE A 40 -0.863 3.097 2.288 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.592 2.981 -0.203 1.00 0.00 C ATOM 650 CD1 ILE A 40 -0.580 4.566 2.509 1.00 0.00 C ATOM 0 H ILE A 40 1.322 1.135 2.710 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.131 0.641 1.466 1.00 0.00 H new ATOM 0 HB ILE A 40 0.976 2.802 1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.927 2.966 2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.639 2.550 3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.545 4.070 -0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.016 2.569 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.626 2.659 -0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.182 4.931 3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.477 4.703 2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.831 5.125 1.607 1.00 0.00 H new ATOM 662 N VAL A 41 -0.476 -0.667 -0.574 1.00 0.00 N ATOM 663 CA VAL A 41 -0.237 -1.302 -1.865 1.00 0.00 C ATOM 664 C VAL A 41 -0.090 -0.262 -2.970 1.00 0.00 C ATOM 665 O VAL A 41 0.878 -0.283 -3.731 1.00 0.00 O ATOM 666 CB VAL A 41 -1.378 -2.268 -2.234 1.00 0.00 C ATOM 667 CG1 VAL A 41 -0.997 -3.109 -3.443 1.00 0.00 C ATOM 668 CG2 VAL A 41 -1.730 -3.154 -1.048 1.00 0.00 C ATOM 0 H VAL A 41 -1.222 -1.094 -0.025 1.00 0.00 H new ATOM 0 HA VAL A 41 0.692 -1.865 -1.774 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.258 -1.680 -2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.816 -3.785 -3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.799 -2.456 -4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.103 -3.689 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.538 -3.830 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.855 -3.735 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.049 -2.532 -0.211 1.00 0.00 H new ATOM 678 N ASP A 42 -1.055 0.647 -3.052 1.00 0.00 N ATOM 679 CA ASP A 42 -1.032 1.697 -4.064 1.00 0.00 C ATOM 680 C ASP A 42 -1.576 3.006 -3.500 1.00 0.00 C ATOM 681 O ASP A 42 -2.753 3.121 -3.156 1.00 0.00 O ATOM 682 CB ASP A 42 -1.849 1.275 -5.286 1.00 0.00 C ATOM 683 CG ASP A 42 -1.510 2.090 -6.518 1.00 0.00 C ATOM 684 OD1 ASP A 42 -0.921 3.180 -6.365 1.00 0.00 O ATOM 685 OD2 ASP A 42 -1.834 1.638 -7.637 1.00 0.00 O ATOM 0 H ASP A 42 -1.863 0.678 -2.430 1.00 0.00 H new ATOM 0 HA ASP A 42 0.003 1.854 -4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.671 0.220 -5.492 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.911 1.382 -5.064 1.00 0.00 H new ATOM 690 N PRO A 43 -0.700 4.017 -3.401 1.00 0.00 N ATOM 691 CA PRO A 43 -1.070 5.336 -2.879 1.00 0.00 C ATOM 692 C PRO A 43 -1.991 6.098 -3.826 1.00 0.00 C ATOM 693 O PRO A 43 -2.922 6.773 -3.391 1.00 0.00 O ATOM 694 CB PRO A 43 0.275 6.055 -2.748 1.00 0.00 C ATOM 695 CG PRO A 43 1.161 5.387 -3.743 1.00 0.00 C ATOM 696 CD PRO A 43 0.718 3.951 -3.792 1.00 0.00 C ATOM 0 HA PRO A 43 -1.624 5.263 -1.943 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.177 7.120 -2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.675 5.965 -1.738 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.072 5.857 -4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.207 5.463 -3.447 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.841 3.527 -4.788 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.295 3.329 -3.108 1.00 0.00 H new ATOM 704 N ASN A 44 -1.724 5.983 -5.123 1.00 0.00 N ATOM 705 CA ASN A 44 -2.529 6.661 -6.132 1.00 0.00 C ATOM 706 C ASN A 44 -3.996 6.256 -6.019 1.00 0.00 C ATOM 707 O ASN A 44 -4.892 7.090 -6.140 1.00 0.00 O ATOM 708 CB ASN A 44 -2.006 6.339 -7.533 1.00 0.00 C ATOM 709 CG ASN A 44 -2.503 7.322 -8.576 1.00 0.00 C ATOM 710 OD1 ASN A 44 -2.454 8.535 -8.375 1.00 0.00 O ATOM 711 ND2 ASN A 44 -2.987 6.800 -9.697 1.00 0.00 N ATOM 0 H ASN A 44 -0.956 5.427 -5.500 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.452 7.735 -5.961 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.916 6.346 -7.521 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.315 5.331 -7.811 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.338 7.411 -10.434 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.008 5.788 -9.821 1.00 0.00 H new ATOM 718 N GLY A 45 -4.233 4.968 -5.787 1.00 0.00 N ATOM 719 CA GLY A 45 -5.592 4.474 -5.661 1.00 0.00 C ATOM 720 C GLY A 45 -6.128 4.605 -4.250 1.00 0.00 C ATOM 721 O GLY A 45 -7.335 4.746 -4.046 1.00 0.00 O ATOM 0 H GLY A 45 -3.508 4.258 -5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.240 5.023 -6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.624 3.427 -5.963 1.00 0.00 H new ATOM 725 N LEU A 46 -5.231 4.558 -3.271 1.00 0.00 N ATOM 726 CA LEU A 46 -5.621 4.671 -1.870 1.00 0.00 C ATOM 727 C LEU A 46 -6.010 6.105 -1.527 1.00 0.00 C ATOM 728 O LEU A 46 -7.164 6.386 -1.206 1.00 0.00 O ATOM 729 CB LEU A 46 -4.478 4.210 -0.964 1.00 0.00 C ATOM 730 CG LEU A 46 -4.827 4.020 0.513 1.00 0.00 C ATOM 731 CD1 LEU A 46 -5.572 5.234 1.046 1.00 0.00 C ATOM 732 CD2 LEU A 46 -5.653 2.757 0.707 1.00 0.00 C ATOM 0 H LEU A 46 -4.229 4.442 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.488 4.030 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.093 3.266 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.669 4.937 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.899 3.913 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.812 5.081 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.946 6.120 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.493 5.373 0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.892 2.637 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.576 2.834 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.083 1.893 0.364 1.00 0.00 H new ATOM 744 N ALA A 47 -5.039 7.010 -1.598 1.00 0.00 N ATOM 745 CA ALA A 47 -5.281 8.416 -1.300 1.00 0.00 C ATOM 746 C ALA A 47 -6.648 8.858 -1.811 1.00 0.00 C ATOM 747 O ALA A 47 -7.428 9.465 -1.077 1.00 0.00 O ATOM 748 CB ALA A 47 -4.184 9.280 -1.904 1.00 0.00 C ATOM 0 H ALA A 47 -4.077 6.794 -1.859 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.270 8.540 -0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.378 10.328 -1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.220 8.989 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.167 9.143 -2.985 1.00 0.00 H new ATOM 754 N ARG A 48 -6.931 8.551 -3.072 1.00 0.00 N ATOM 755 CA ARG A 48 -8.203 8.919 -3.681 1.00 0.00 C ATOM 756 C ARG A 48 -9.366 8.604 -2.745 1.00 0.00 C ATOM 757 O ARG A 48 -10.295 9.400 -2.602 1.00 0.00 O ATOM 758 CB ARG A 48 -8.390 8.181 -5.009 1.00 0.00 C ATOM 759 CG ARG A 48 -7.792 8.910 -6.200 1.00 0.00 C ATOM 760 CD ARG A 48 -8.073 8.175 -7.502 1.00 0.00 C ATOM 761 NE ARG A 48 -7.602 8.922 -8.665 1.00 0.00 N ATOM 762 CZ ARG A 48 -7.611 8.438 -9.902 1.00 0.00 C ATOM 763 NH1 ARG A 48 -8.064 7.214 -10.135 1.00 0.00 N ATOM 764 NH2 ARG A 48 -7.166 9.179 -10.909 1.00 0.00 N ATOM 0 H ARG A 48 -6.296 8.048 -3.692 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.190 9.993 -3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.936 7.193 -4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.455 8.029 -5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.202 9.918 -6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.715 9.011 -6.063 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.590 7.198 -7.478 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.145 7.998 -7.594 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.247 9.867 -8.520 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.407 6.642 -9.363 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.070 6.845 -11.086 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.817 10.121 -10.733 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.173 8.806 -11.858 1.00 0.00 H new ATOM 778 N LEU A 49 -9.308 7.439 -2.109 1.00 0.00 N ATOM 779 CA LEU A 49 -10.356 7.019 -1.185 1.00 0.00 C ATOM 780 C LEU A 49 -10.376 7.905 0.056 1.00 0.00 C ATOM 781 O LEU A 49 -11.433 8.154 0.636 1.00 0.00 O ATOM 782 CB LEU A 49 -10.150 5.558 -0.780 1.00 0.00 C ATOM 783 CG LEU A 49 -10.255 4.528 -1.904 1.00 0.00 C ATOM 784 CD1 LEU A 49 -9.435 3.291 -1.574 1.00 0.00 C ATOM 785 CD2 LEU A 49 -11.710 4.155 -2.152 1.00 0.00 C ATOM 0 H LEU A 49 -8.547 6.769 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.315 7.117 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.166 5.465 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.885 5.307 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.854 4.972 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.522 2.569 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.389 3.571 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.805 2.845 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.765 3.421 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.137 3.731 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.271 5.046 -2.435 1.00 0.00 H new ATOM 797 N TRP A 50 -9.202 8.380 0.456 1.00 0.00 N ATOM 798 CA TRP A 50 -9.085 9.241 1.628 1.00 0.00 C ATOM 799 C TRP A 50 -9.520 10.665 1.302 1.00 0.00 C ATOM 800 O TRP A 50 -10.081 11.362 2.147 1.00 0.00 O ATOM 801 CB TRP A 50 -7.646 9.240 2.146 1.00 0.00 C ATOM 802 CG TRP A 50 -7.277 10.495 2.877 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.561 11.549 2.386 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.603 10.825 4.231 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.423 12.515 3.353 1.00 0.00 N ATOM 806 CE2 TRP A 50 -7.054 12.096 4.494 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.308 10.173 5.246 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.188 12.723 5.730 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.439 10.796 6.473 1.00 0.00 C ATOM 810 CH2 TRP A 50 -7.883 12.061 6.706 1.00 0.00 C ATOM 0 H TRP A 50 -8.318 8.184 -0.013 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.743 8.848 2.404 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.507 8.387 2.810 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -6.965 9.104 1.306 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.162 11.614 1.385 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.930 13.401 3.240 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.743 9.199 5.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.759 13.697 5.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -8.979 10.299 7.266 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.005 12.523 7.675 1.00 0.00 H new ATOM 821 N GLY A 51 -9.258 11.093 0.070 1.00 0.00 N ATOM 822 CA GLY A 51 -9.630 12.433 -0.345 1.00 0.00 C ATOM 823 C GLY A 51 -11.091 12.535 -0.732 1.00 0.00 C ATOM 824 O GLY A 51 -11.804 13.421 -0.263 1.00 0.00 O ATOM 0 H GLY A 51 -8.795 10.535 -0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.422 13.132 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.011 12.733 -1.191 1.00 0.00 H new ATOM 828 N ASN A 52 -11.539 11.627 -1.593 1.00 0.00 N ATOM 829 CA ASN A 52 -12.925 11.620 -2.046 1.00 0.00 C ATOM 830 C ASN A 52 -13.882 11.795 -0.870 1.00 0.00 C ATOM 831 O ASN A 52 -14.578 12.806 -0.768 1.00 0.00 O ATOM 832 CB ASN A 52 -13.237 10.316 -2.782 1.00 0.00 C ATOM 833 CG ASN A 52 -14.363 10.473 -3.786 1.00 0.00 C ATOM 834 OD1 ASN A 52 -15.244 11.316 -3.620 1.00 0.00 O ATOM 835 ND2 ASN A 52 -14.337 9.660 -4.835 1.00 0.00 N ATOM 0 H ASN A 52 -10.962 10.886 -1.991 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.061 12.457 -2.731 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.341 9.969 -3.297 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.505 9.548 -2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.067 9.719 -5.545 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -13.587 8.976 -4.932 1.00 0.00 H new ATOM 842 N HIS A 53 -13.911 10.804 0.015 1.00 0.00 N ATOM 843 CA HIS A 53 -14.781 10.849 1.185 1.00 0.00 C ATOM 844 C HIS A 53 -14.490 12.085 2.031 1.00 0.00 C ATOM 845 O HIS A 53 -15.274 12.448 2.908 1.00 0.00 O ATOM 846 CB HIS A 53 -14.604 9.586 2.027 1.00 0.00 C ATOM 847 CG HIS A 53 -13.551 9.714 3.085 1.00 0.00 C ATOM 848 ND1 HIS A 53 -12.363 9.014 3.052 1.00 0.00 N ATOM 849 CD2 HIS A 53 -13.511 10.468 4.208 1.00 0.00 C ATOM 850 CE1 HIS A 53 -11.639 9.331 4.111 1.00 0.00 C ATOM 851 NE2 HIS A 53 -12.313 10.212 4.828 1.00 0.00 N ATOM 0 H HIS A 53 -13.342 9.960 -0.056 1.00 0.00 H new ATOM 0 HA HIS A 53 -15.813 10.903 0.838 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -15.554 9.338 2.500 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.348 8.754 1.370 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -12.087 8.355 2.324 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -14.279 11.145 4.552 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.662 8.937 4.350 1.00 0.00 H new ATOM 860 N LYS A 54 -13.357 12.726 1.764 1.00 0.00 N ATOM 861 CA LYS A 54 -12.962 13.921 2.500 1.00 0.00 C ATOM 862 C LYS A 54 -13.359 15.183 1.742 1.00 0.00 C ATOM 863 O LYS A 54 -12.846 16.268 2.012 1.00 0.00 O ATOM 864 CB LYS A 54 -11.452 13.916 2.748 1.00 0.00 C ATOM 865 CG LYS A 54 -11.048 13.206 4.029 1.00 0.00 C ATOM 866 CD LYS A 54 -11.476 13.990 5.259 1.00 0.00 C ATOM 867 CE LYS A 54 -10.477 15.085 5.597 1.00 0.00 C ATOM 868 NZ LYS A 54 -10.798 16.363 4.903 1.00 0.00 N ATOM 0 H LYS A 54 -12.696 12.438 1.043 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.482 13.916 3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.955 13.436 1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.095 14.945 2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.498 12.214 4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.967 13.066 4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.457 14.432 5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.576 13.313 6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.469 15.249 6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.475 14.761 5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.040 16.592 4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.698 16.263 4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.881 17.127 5.604 1.00 0.00 H new ATOM 882 N ASN A 55 -14.277 15.034 0.792 1.00 0.00 N ATOM 883 CA ASN A 55 -14.744 16.163 -0.004 1.00 0.00 C ATOM 884 C ASN A 55 -13.592 16.794 -0.780 1.00 0.00 C ATOM 885 O ASN A 55 -13.596 17.996 -1.048 1.00 0.00 O ATOM 886 CB ASN A 55 -15.403 17.210 0.895 1.00 0.00 C ATOM 887 CG ASN A 55 -16.199 18.231 0.105 1.00 0.00 C ATOM 888 OD1 ASN A 55 -17.314 17.957 -0.339 1.00 0.00 O ATOM 889 ND2 ASN A 55 -15.628 19.417 -0.073 1.00 0.00 N ATOM 0 H ASN A 55 -14.712 14.142 0.555 1.00 0.00 H new ATOM 0 HA ASN A 55 -15.480 15.793 -0.718 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -16.061 16.712 1.607 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -14.635 17.722 1.475 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -16.116 20.145 -0.596 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.702 19.600 0.313 1.00 0.00 H new ATOM 896 N ARG A 56 -12.607 15.976 -1.136 1.00 0.00 N ATOM 897 CA ARG A 56 -11.448 16.455 -1.880 1.00 0.00 C ATOM 898 C ARG A 56 -11.285 15.684 -3.187 1.00 0.00 C ATOM 899 O ARG A 56 -11.713 14.535 -3.302 1.00 0.00 O ATOM 900 CB ARG A 56 -10.181 16.319 -1.034 1.00 0.00 C ATOM 901 CG ARG A 56 -9.911 17.521 -0.144 1.00 0.00 C ATOM 902 CD ARG A 56 -9.390 18.702 -0.947 1.00 0.00 C ATOM 903 NE ARG A 56 -9.488 19.955 -0.203 1.00 0.00 N ATOM 904 CZ ARG A 56 -9.526 21.151 -0.780 1.00 0.00 C ATOM 905 NH1 ARG A 56 -9.473 21.256 -2.101 1.00 0.00 N ATOM 906 NH2 ARG A 56 -9.616 22.246 -0.035 1.00 0.00 N ATOM 0 H ARG A 56 -12.588 14.979 -0.921 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.608 17.507 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.264 15.428 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.327 16.168 -1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.828 17.806 0.372 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.184 17.252 0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.350 18.524 -1.221 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.955 18.787 -1.876 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.530 19.909 0.815 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.403 20.417 -2.677 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.502 22.176 -2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.656 22.169 0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.645 23.164 -0.479 1.00 0.00 H new ATOM 920 N THR A 57 -10.663 16.325 -4.173 1.00 0.00 N ATOM 921 CA THR A 57 -10.445 15.701 -5.472 1.00 0.00 C ATOM 922 C THR A 57 -8.959 15.626 -5.803 1.00 0.00 C ATOM 923 O THR A 57 -8.488 14.638 -6.366 1.00 0.00 O ATOM 924 CB THR A 57 -11.171 16.470 -6.592 1.00 0.00 C ATOM 925 OG1 THR A 57 -12.538 16.689 -6.230 1.00 0.00 O ATOM 926 CG2 THR A 57 -11.105 15.703 -7.904 1.00 0.00 C ATOM 0 H THR A 57 -10.302 17.276 -4.096 1.00 0.00 H new ATOM 0 HA THR A 57 -10.852 14.692 -5.411 1.00 0.00 H new ATOM 0 HB THR A 57 -10.673 17.431 -6.725 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.992 17.180 -6.947 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.624 16.265 -8.680 1.00 0.00 H new ATOM 0 HG22 THR A 57 -10.063 15.564 -8.192 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.581 14.730 -7.781 1.00 0.00 H new ATOM 934 N ASN A 58 -8.224 16.675 -5.449 1.00 0.00 N ATOM 935 CA ASN A 58 -6.790 16.727 -5.709 1.00 0.00 C ATOM 936 C ASN A 58 -6.001 16.215 -4.508 1.00 0.00 C ATOM 937 O ASN A 58 -4.950 16.757 -4.166 1.00 0.00 O ATOM 938 CB ASN A 58 -6.363 18.158 -6.041 1.00 0.00 C ATOM 939 CG ASN A 58 -7.121 19.192 -5.231 1.00 0.00 C ATOM 940 OD1 ASN A 58 -7.315 19.032 -4.026 1.00 0.00 O ATOM 941 ND2 ASN A 58 -7.555 20.259 -5.891 1.00 0.00 N ATOM 0 H ASN A 58 -8.598 17.501 -4.981 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.577 16.084 -6.563 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.295 18.267 -5.855 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.523 18.344 -7.103 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.072 20.988 -5.399 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -7.371 20.350 -6.890 1.00 0.00 H new ATOM 948 N MET A 59 -6.515 15.167 -3.872 1.00 0.00 N ATOM 949 CA MET A 59 -5.857 14.580 -2.711 1.00 0.00 C ATOM 950 C MET A 59 -4.756 13.616 -3.139 1.00 0.00 C ATOM 951 O MET A 59 -5.026 12.569 -3.728 1.00 0.00 O ATOM 952 CB MET A 59 -6.877 13.850 -1.835 1.00 0.00 C ATOM 953 CG MET A 59 -6.264 13.187 -0.612 1.00 0.00 C ATOM 954 SD MET A 59 -5.621 14.380 0.576 1.00 0.00 S ATOM 955 CE MET A 59 -7.121 14.837 1.443 1.00 0.00 C ATOM 0 H MET A 59 -7.385 14.707 -4.141 1.00 0.00 H new ATOM 0 HA MET A 59 -5.405 15.387 -2.135 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.638 14.559 -1.510 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.382 13.092 -2.434 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.016 12.565 -0.126 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.458 12.525 -0.928 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.865 15.274 2.408 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.676 15.565 0.851 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.736 13.951 1.598 1.00 0.00 H new ATOM 965 N THR A 60 -3.511 13.976 -2.840 1.00 0.00 N ATOM 966 CA THR A 60 -2.369 13.143 -3.196 1.00 0.00 C ATOM 967 C THR A 60 -1.790 12.451 -1.968 1.00 0.00 C ATOM 968 O THR A 60 -2.152 12.769 -0.835 1.00 0.00 O ATOM 969 CB THR A 60 -1.261 13.971 -3.874 1.00 0.00 C ATOM 970 OG1 THR A 60 -0.645 14.842 -2.919 1.00 0.00 O ATOM 971 CG2 THR A 60 -1.825 14.790 -5.025 1.00 0.00 C ATOM 0 H THR A 60 -3.269 14.838 -2.352 1.00 0.00 H new ATOM 0 HA THR A 60 -2.732 12.391 -3.897 1.00 0.00 H new ATOM 0 HB THR A 60 -0.515 13.282 -4.270 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.059 15.363 -3.358 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.024 15.366 -5.488 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.266 14.122 -5.765 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.589 15.469 -4.648 1.00 0.00 H new ATOM 979 N TYR A 61 -0.888 11.503 -2.199 1.00 0.00 N ATOM 980 CA TYR A 61 -0.260 10.763 -1.110 1.00 0.00 C ATOM 981 C TYR A 61 0.562 11.693 -0.224 1.00 0.00 C ATOM 982 O TYR A 61 0.570 11.555 0.999 1.00 0.00 O ATOM 983 CB TYR A 61 0.631 9.652 -1.668 1.00 0.00 C ATOM 984 CG TYR A 61 1.382 8.886 -0.603 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.703 8.223 0.412 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.770 8.826 -0.611 1.00 0.00 C ATOM 987 CE1 TYR A 61 1.385 7.523 1.388 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.460 8.126 0.360 1.00 0.00 C ATOM 989 CZ TYR A 61 2.763 7.477 1.358 1.00 0.00 C ATOM 990 OH TYR A 61 3.447 6.780 2.328 1.00 0.00 O ATOM 0 H TYR A 61 -0.575 11.229 -3.130 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.049 10.317 -0.504 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.016 8.956 -2.238 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.348 10.088 -2.364 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.376 8.256 0.438 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.319 9.335 -1.389 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.842 7.014 2.171 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.539 8.087 0.338 1.00 0.00 H new ATOM 0 HH TYR A 61 4.247 7.282 2.589 1.00 0.00 H new ATOM 1000 N GLU A 62 1.253 12.640 -0.850 1.00 0.00 N ATOM 1001 CA GLU A 62 2.079 13.593 -0.118 1.00 0.00 C ATOM 1002 C GLU A 62 1.277 14.270 0.989 1.00 0.00 C ATOM 1003 O GLU A 62 1.705 14.317 2.143 1.00 0.00 O ATOM 1004 CB GLU A 62 2.645 14.649 -1.071 1.00 0.00 C ATOM 1005 CG GLU A 62 3.732 15.509 -0.449 1.00 0.00 C ATOM 1006 CD GLU A 62 4.851 14.687 0.159 1.00 0.00 C ATOM 1007 OE1 GLU A 62 5.290 13.713 -0.488 1.00 0.00 O ATOM 1008 OE2 GLU A 62 5.288 15.016 1.282 1.00 0.00 O ATOM 0 H GLU A 62 1.257 12.768 -1.862 1.00 0.00 H new ATOM 0 HA GLU A 62 2.904 13.045 0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.047 14.152 -1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.833 15.293 -1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.145 16.172 -1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.292 16.143 0.321 1.00 0.00 H new ATOM 1015 N LYS A 63 0.110 14.795 0.631 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.754 15.470 1.592 1.00 0.00 C ATOM 1017 C LYS A 63 -1.293 14.484 2.624 1.00 0.00 C ATOM 1018 O LYS A 63 -1.880 14.883 3.629 1.00 0.00 O ATOM 1019 CB LYS A 63 -1.916 16.156 0.871 1.00 0.00 C ATOM 1020 CG LYS A 63 -1.554 17.509 0.283 1.00 0.00 C ATOM 1021 CD LYS A 63 -2.667 18.050 -0.599 1.00 0.00 C ATOM 1022 CE LYS A 63 -2.530 17.560 -2.032 1.00 0.00 C ATOM 1023 NZ LYS A 63 -1.562 18.383 -2.809 1.00 0.00 N ATOM 0 H LYS A 63 -0.260 14.766 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.161 16.224 2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.271 15.505 0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.742 16.283 1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.352 18.215 1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.637 17.420 -0.300 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.633 17.741 -0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.649 19.140 -0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.204 16.520 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.504 17.588 -2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.497 18.017 -3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.886 19.371 -2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.626 18.336 -2.358 1.00 0.00 H new ATOM 1037 N MET A 64 -1.088 13.196 2.369 1.00 0.00 N ATOM 1038 CA MET A 64 -1.551 12.154 3.278 1.00 0.00 C ATOM 1039 C MET A 64 -0.456 11.771 4.269 1.00 0.00 C ATOM 1040 O MET A 64 -0.587 11.999 5.472 1.00 0.00 O ATOM 1041 CB MET A 64 -1.997 10.921 2.490 1.00 0.00 C ATOM 1042 CG MET A 64 -3.100 10.130 3.173 1.00 0.00 C ATOM 1043 SD MET A 64 -3.878 8.931 2.073 1.00 0.00 S ATOM 1044 CE MET A 64 -3.191 7.400 2.700 1.00 0.00 C ATOM 0 H MET A 64 -0.604 12.849 1.541 1.00 0.00 H new ATOM 0 HA MET A 64 -2.401 12.545 3.837 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.343 11.235 1.505 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.137 10.269 2.333 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.687 9.610 4.037 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.857 10.819 3.547 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.981 6.728 1.868 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.267 7.610 3.239 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.906 6.930 3.375 1.00 0.00 H new ATOM 1054 N SER A 65 0.622 11.187 3.756 1.00 0.00 N ATOM 1055 CA SER A 65 1.737 10.769 4.597 1.00 0.00 C ATOM 1056 C SER A 65 2.012 11.799 5.687 1.00 0.00 C ATOM 1057 O SER A 65 2.293 11.447 6.833 1.00 0.00 O ATOM 1058 CB SER A 65 2.993 10.560 3.748 1.00 0.00 C ATOM 1059 OG SER A 65 3.957 9.788 4.444 1.00 0.00 O ATOM 0 H SER A 65 0.747 10.993 2.762 1.00 0.00 H new ATOM 0 HA SER A 65 1.467 9.826 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.727 10.061 2.816 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.420 11.527 3.481 1.00 0.00 H new ATOM 0 HG SER A 65 4.749 9.668 3.880 1.00 0.00 H new ATOM 1065 N ARG A 66 1.930 13.074 5.322 1.00 0.00 N ATOM 1066 CA ARG A 66 2.171 14.157 6.268 1.00 0.00 C ATOM 1067 C ARG A 66 1.623 13.806 7.648 1.00 0.00 C ATOM 1068 O ARG A 66 2.340 13.869 8.646 1.00 0.00 O ATOM 1069 CB ARG A 66 1.529 15.453 5.768 1.00 0.00 C ATOM 1070 CG ARG A 66 2.450 16.293 4.899 1.00 0.00 C ATOM 1071 CD ARG A 66 3.250 17.283 5.732 1.00 0.00 C ATOM 1072 NE ARG A 66 4.375 17.842 4.986 1.00 0.00 N ATOM 1073 CZ ARG A 66 5.499 17.177 4.745 1.00 0.00 C ATOM 1074 NH1 ARG A 66 5.647 15.936 5.188 1.00 0.00 N ATOM 1075 NH2 ARG A 66 6.478 17.754 4.060 1.00 0.00 N ATOM 0 H ARG A 66 1.698 13.383 4.378 1.00 0.00 H new ATOM 0 HA ARG A 66 3.248 14.301 6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.631 15.208 5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.212 16.046 6.626 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.131 15.641 4.352 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.861 16.832 4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.597 18.091 6.062 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.620 16.786 6.629 1.00 0.00 H new ATOM 0 HE ARG A 66 4.293 18.795 4.631 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.896 15.490 5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.511 15.428 5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.367 18.709 3.718 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.341 17.243 3.875 1.00 0.00 H new ATOM 1089 N ALA A 67 0.347 13.436 7.696 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.296 13.073 8.953 1.00 0.00 C ATOM 1091 C ALA A 67 0.500 12.000 9.687 1.00 0.00 C ATOM 1092 O ALA A 67 1.094 12.260 10.734 1.00 0.00 O ATOM 1093 CB ALA A 67 -1.719 12.597 8.699 1.00 0.00 C ATOM 0 H ALA A 67 -0.261 13.380 6.879 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.329 13.960 9.586 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.188 12.329 9.646 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.290 13.395 8.224 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.700 11.726 8.044 1.00 0.00 H new ATOM 1099 N LEU A 68 0.507 10.792 9.133 1.00 0.00 N ATOM 1100 CA LEU A 68 1.231 9.678 9.736 1.00 0.00 C ATOM 1101 C LEU A 68 2.501 10.163 10.426 1.00 0.00 C ATOM 1102 O LEU A 68 2.911 9.616 11.450 1.00 0.00 O ATOM 1103 CB LEU A 68 1.581 8.636 8.672 1.00 0.00 C ATOM 1104 CG LEU A 68 0.416 7.797 8.145 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.557 7.470 9.268 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.297 8.524 7.014 1.00 0.00 C ATOM 0 H LEU A 68 0.020 10.559 8.268 1.00 0.00 H new ATOM 0 HA LEU A 68 0.585 9.221 10.485 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.044 9.148 7.829 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.331 7.961 9.086 1.00 0.00 H new ATOM 0 HG LEU A 68 0.815 6.861 7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.379 6.873 8.874 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.040 6.908 10.045 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.950 8.395 9.690 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.123 7.912 6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.684 9.475 7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.404 8.706 6.200 1.00 0.00 H new ATOM 1118 N ARG A 69 3.119 11.195 9.860 1.00 0.00 N ATOM 1119 CA ARG A 69 4.343 11.754 10.421 1.00 0.00 C ATOM 1120 C ARG A 69 4.111 12.246 11.847 1.00 0.00 C ATOM 1121 O ARG A 69 4.723 11.749 12.793 1.00 0.00 O ATOM 1122 CB ARG A 69 4.849 12.905 9.550 1.00 0.00 C ATOM 1123 CG ARG A 69 6.334 13.185 9.714 1.00 0.00 C ATOM 1124 CD ARG A 69 6.928 13.798 8.455 1.00 0.00 C ATOM 1125 NE ARG A 69 6.381 15.125 8.182 1.00 0.00 N ATOM 1126 CZ ARG A 69 6.698 16.208 8.883 1.00 0.00 C ATOM 1127 NH1 ARG A 69 7.552 16.122 9.893 1.00 0.00 N ATOM 1128 NH2 ARG A 69 6.159 17.380 8.573 1.00 0.00 N ATOM 0 H ARG A 69 2.792 11.661 9.013 1.00 0.00 H new ATOM 0 HA ARG A 69 5.096 10.966 10.444 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.644 12.675 8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.289 13.808 9.794 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.487 13.860 10.556 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.856 12.258 9.950 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.011 13.867 8.561 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.732 13.143 7.606 1.00 0.00 H new ATOM 0 HE ARG A 69 5.720 15.225 7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.968 15.222 10.134 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.793 16.955 10.429 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.501 17.449 7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.402 18.212 9.111 1.00 0.00 H new ATOM 1142 N HIS A 70 3.224 13.225 11.994 1.00 0.00 N ATOM 1143 CA HIS A 70 2.911 13.783 13.304 1.00 0.00 C ATOM 1144 C HIS A 70 2.782 12.679 14.349 1.00 0.00 C ATOM 1145 O HIS A 70 3.226 12.832 15.487 1.00 0.00 O ATOM 1146 CB HIS A 70 1.617 14.595 13.241 1.00 0.00 C ATOM 1147 CG HIS A 70 1.815 16.003 12.770 1.00 0.00 C ATOM 1148 ND1 HIS A 70 2.125 17.044 13.620 1.00 0.00 N ATOM 1149 CD2 HIS A 70 1.748 16.539 11.529 1.00 0.00 C ATOM 1150 CE1 HIS A 70 2.238 18.160 12.922 1.00 0.00 C ATOM 1151 NE2 HIS A 70 2.014 17.881 11.651 1.00 0.00 N ATOM 0 H HIS A 70 2.709 13.648 11.222 1.00 0.00 H new ATOM 0 HA HIS A 70 3.730 14.441 13.595 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.915 14.093 12.575 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.160 14.613 14.231 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.248 16.965 14.629 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.527 16.010 10.614 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.474 19.135 13.323 1.00 0.00 H new ATOM 1160 N TYR A 71 2.171 11.567 13.955 1.00 0.00 N ATOM 1161 CA TYR A 71 1.980 10.439 14.858 1.00 0.00 C ATOM 1162 C TYR A 71 3.314 9.774 15.188 1.00 0.00 C ATOM 1163 O TYR A 71 3.542 9.343 16.319 1.00 0.00 O ATOM 1164 CB TYR A 71 1.028 9.416 14.237 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.313 9.996 13.847 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -0.511 10.559 12.593 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -1.383 9.979 14.734 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -1.734 11.090 12.233 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -2.610 10.507 14.383 1.00 0.00 C ATOM 1170 CZ TYR A 71 -2.781 11.062 13.132 1.00 0.00 C ATOM 1171 OH TYR A 71 -4.001 11.589 12.777 1.00 0.00 O ATOM 0 H TYR A 71 1.800 11.423 13.016 1.00 0.00 H new ATOM 0 HA TYR A 71 1.543 10.817 15.783 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.498 8.984 13.354 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.871 8.602 14.945 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.306 10.582 11.887 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.253 9.545 15.715 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.870 11.525 11.254 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.431 10.485 15.084 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.704 11.186 13.328 1.00 0.00 H new ATOM 1181 N TYR A 72 4.190 9.696 14.193 1.00 0.00 N ATOM 1182 CA TYR A 72 5.500 9.083 14.376 1.00 0.00 C ATOM 1183 C TYR A 72 6.171 9.597 15.646 1.00 0.00 C ATOM 1184 O TYR A 72 6.724 8.823 16.428 1.00 0.00 O ATOM 1185 CB TYR A 72 6.392 9.365 13.165 1.00 0.00 C ATOM 1186 CG TYR A 72 5.877 8.758 11.879 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.767 7.923 11.878 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.501 9.020 10.666 1.00 0.00 C ATOM 1189 CE1 TYR A 72 4.293 7.365 10.706 1.00 0.00 C ATOM 1190 CE2 TYR A 72 6.033 8.468 9.489 1.00 0.00 C ATOM 1191 CZ TYR A 72 4.929 7.642 9.514 1.00 0.00 C ATOM 1192 OH TYR A 72 4.462 7.089 8.344 1.00 0.00 O ATOM 0 H TYR A 72 4.017 10.049 13.252 1.00 0.00 H new ATOM 0 HA TYR A 72 5.358 8.007 14.472 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.485 10.443 13.036 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.392 8.980 13.364 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.266 7.706 12.810 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.366 9.666 10.642 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.430 6.716 10.723 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.529 8.682 8.554 1.00 0.00 H new ATOM 0 HH TYR A 72 4.406 6.115 8.442 1.00 0.00 H new ATOM 1202 N LYS A 73 6.116 10.909 15.846 1.00 0.00 N ATOM 1203 CA LYS A 73 6.715 11.530 17.021 1.00 0.00 C ATOM 1204 C LYS A 73 5.923 11.190 18.280 1.00 0.00 C ATOM 1205 O LYS A 73 6.489 11.059 19.366 1.00 0.00 O ATOM 1206 CB LYS A 73 6.783 13.049 16.843 1.00 0.00 C ATOM 1207 CG LYS A 73 7.867 13.711 17.675 1.00 0.00 C ATOM 1208 CD LYS A 73 8.399 14.965 17.002 1.00 0.00 C ATOM 1209 CE LYS A 73 8.878 15.985 18.023 1.00 0.00 C ATOM 1210 NZ LYS A 73 7.758 16.814 18.548 1.00 0.00 N ATOM 0 H LYS A 73 5.662 11.564 15.209 1.00 0.00 H new ATOM 0 HA LYS A 73 7.726 11.138 17.132 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.955 13.276 15.791 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.818 13.481 17.109 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.469 13.965 18.657 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.685 13.008 17.835 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.221 14.701 16.337 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.618 15.407 16.384 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.366 15.469 18.850 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.626 16.633 17.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.126 17.497 19.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.308 17.326 17.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.056 16.199 19.007 1.00 0.00 H new ATOM 1224 N LEU A 74 4.611 11.049 18.126 1.00 0.00 N ATOM 1225 CA LEU A 74 3.740 10.722 19.251 1.00 0.00 C ATOM 1226 C LEU A 74 3.928 9.271 19.682 1.00 0.00 C ATOM 1227 O LEU A 74 3.253 8.791 20.591 1.00 0.00 O ATOM 1228 CB LEU A 74 2.278 10.969 18.877 1.00 0.00 C ATOM 1229 CG LEU A 74 1.797 12.418 18.970 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.692 12.679 17.958 1.00 0.00 C ATOM 1231 CD2 LEU A 74 1.317 12.731 20.379 1.00 0.00 C ATOM 0 H LEU A 74 4.127 11.156 17.235 1.00 0.00 H new ATOM 0 HA LEU A 74 4.009 11.368 20.087 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.121 10.620 17.856 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.650 10.356 19.524 1.00 0.00 H new ATOM 0 HG LEU A 74 2.636 13.075 18.739 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.362 13.715 18.039 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.069 12.496 16.952 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.148 12.014 18.157 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.979 13.766 20.427 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.492 12.067 20.638 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.136 12.584 21.083 1.00 0.00 H new ATOM 1243 N ASN A 75 4.853 8.579 19.024 1.00 0.00 N ATOM 1244 CA ASN A 75 5.132 7.183 19.341 1.00 0.00 C ATOM 1245 C ASN A 75 3.901 6.315 19.101 1.00 0.00 C ATOM 1246 O ASN A 75 3.538 5.489 19.940 1.00 0.00 O ATOM 1247 CB ASN A 75 5.589 7.050 20.795 1.00 0.00 C ATOM 1248 CG ASN A 75 7.005 7.551 21.004 1.00 0.00 C ATOM 1249 OD1 ASN A 75 7.235 8.750 21.156 1.00 0.00 O ATOM 1250 ND2 ASN A 75 7.963 6.630 21.013 1.00 0.00 N ATOM 0 H ASN A 75 5.422 8.962 18.269 1.00 0.00 H new ATOM 0 HA ASN A 75 5.931 6.839 18.684 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.910 7.609 21.439 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.528 6.005 21.098 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.935 6.907 21.150 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.726 5.646 20.883 1.00 0.00 H new ATOM 1257 N ILE A 76 3.263 6.506 17.952 1.00 0.00 N ATOM 1258 CA ILE A 76 2.074 5.740 17.601 1.00 0.00 C ATOM 1259 C ILE A 76 2.343 4.819 16.416 1.00 0.00 C ATOM 1260 O ILE A 76 1.926 3.660 16.410 1.00 0.00 O ATOM 1261 CB ILE A 76 0.889 6.663 17.261 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.561 7.568 18.450 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.327 5.839 16.865 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.244 8.792 18.074 1.00 0.00 C ATOM 0 H ILE A 76 3.550 7.185 17.247 1.00 0.00 H new ATOM 0 HA ILE A 76 1.817 5.140 18.474 1.00 0.00 H new ATOM 0 HB ILE A 76 1.169 7.292 16.416 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.007 6.993 19.192 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.491 7.886 18.922 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.156 6.505 16.628 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.087 5.233 15.991 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.610 5.188 17.692 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.440 9.387 18.966 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.317 9.389 17.355 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.190 8.483 17.629 1.00 0.00 H new ATOM 1276 N ILE A 77 3.044 5.341 15.415 1.00 0.00 N ATOM 1277 CA ILE A 77 3.371 4.565 14.226 1.00 0.00 C ATOM 1278 C ILE A 77 4.861 4.643 13.912 1.00 0.00 C ATOM 1279 O ILE A 77 5.505 5.664 14.155 1.00 0.00 O ATOM 1280 CB ILE A 77 2.574 5.048 13.000 1.00 0.00 C ATOM 1281 CG1 ILE A 77 1.071 4.939 13.267 1.00 0.00 C ATOM 1282 CG2 ILE A 77 2.958 4.245 11.767 1.00 0.00 C ATOM 1283 CD1 ILE A 77 0.222 5.662 12.245 1.00 0.00 C ATOM 0 H ILE A 77 3.396 6.298 15.404 1.00 0.00 H new ATOM 0 HA ILE A 77 3.100 3.531 14.440 1.00 0.00 H new ATOM 0 HB ILE A 77 2.817 6.095 12.817 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.788 3.886 13.283 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.856 5.342 14.257 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.386 4.599 10.910 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.023 4.369 11.569 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.741 3.190 11.938 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.832 5.542 12.497 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.477 6.722 12.245 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.408 5.244 11.256 1.00 0.00 H new ATOM 1295 N ARG A 78 5.403 3.558 13.367 1.00 0.00 N ATOM 1296 CA ARG A 78 6.818 3.504 13.019 1.00 0.00 C ATOM 1297 C ARG A 78 7.001 3.182 11.539 1.00 0.00 C ATOM 1298 O ARG A 78 6.662 2.090 11.083 1.00 0.00 O ATOM 1299 CB ARG A 78 7.536 2.457 13.872 1.00 0.00 C ATOM 1300 CG ARG A 78 9.016 2.322 13.554 1.00 0.00 C ATOM 1301 CD ARG A 78 9.855 3.273 14.392 1.00 0.00 C ATOM 1302 NE ARG A 78 11.270 2.912 14.378 1.00 0.00 N ATOM 1303 CZ ARG A 78 12.053 3.049 13.313 1.00 0.00 C ATOM 1304 NH1 ARG A 78 11.560 3.537 12.183 1.00 0.00 N ATOM 1305 NH2 ARG A 78 13.331 2.698 13.378 1.00 0.00 N ATOM 0 H ARG A 78 4.884 2.705 13.157 1.00 0.00 H new ATOM 0 HA ARG A 78 7.253 4.484 13.217 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.422 2.718 14.924 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.053 1.491 13.729 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.336 1.296 13.736 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.182 2.525 12.496 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.736 4.289 14.015 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.490 3.269 15.419 1.00 0.00 H new ATOM 0 HE ARG A 78 11.680 2.534 15.232 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.578 3.808 12.130 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.163 3.641 11.367 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.713 2.323 14.246 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.931 2.804 12.560 1.00 0.00 H new ATOM 1319 N LYS A 79 7.539 4.140 10.792 1.00 0.00 N ATOM 1320 CA LYS A 79 7.769 3.960 9.364 1.00 0.00 C ATOM 1321 C LYS A 79 9.158 3.386 9.104 1.00 0.00 C ATOM 1322 O LYS A 79 10.165 3.969 9.503 1.00 0.00 O ATOM 1323 CB LYS A 79 7.611 5.293 8.629 1.00 0.00 C ATOM 1324 CG LYS A 79 7.255 5.140 7.160 1.00 0.00 C ATOM 1325 CD LYS A 79 7.300 6.474 6.433 1.00 0.00 C ATOM 1326 CE LYS A 79 7.488 6.286 4.936 1.00 0.00 C ATOM 1327 NZ LYS A 79 6.185 6.158 4.225 1.00 0.00 N ATOM 0 H LYS A 79 7.824 5.050 11.153 1.00 0.00 H new ATOM 0 HA LYS A 79 7.028 3.255 8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.837 5.881 9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.540 5.856 8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.948 4.444 6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.258 4.709 7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.376 7.022 6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.115 7.079 6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.041 7.133 4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.090 5.395 4.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.341 5.736 3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.547 5.550 4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.756 7.099 4.114 1.00 0.00 H new ATOM 1341 N GLU A 80 9.203 2.239 8.432 1.00 0.00 N ATOM 1342 CA GLU A 80 10.469 1.588 8.119 1.00 0.00 C ATOM 1343 C GLU A 80 11.324 2.467 7.210 1.00 0.00 C ATOM 1344 O GLU A 80 10.850 3.027 6.222 1.00 0.00 O ATOM 1345 CB GLU A 80 10.220 0.234 7.450 1.00 0.00 C ATOM 1346 CG GLU A 80 9.629 -0.807 8.385 1.00 0.00 C ATOM 1347 CD GLU A 80 10.672 -1.449 9.278 1.00 0.00 C ATOM 1348 OE1 GLU A 80 11.618 -2.062 8.739 1.00 0.00 O ATOM 1349 OE2 GLU A 80 10.544 -1.339 10.516 1.00 0.00 O ATOM 0 H GLU A 80 8.378 1.743 8.095 1.00 0.00 H new ATOM 0 HA GLU A 80 11.007 1.430 9.054 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.547 0.374 6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.161 -0.142 7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.863 -0.340 9.005 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.135 -1.580 7.796 1.00 0.00 H new ATOM 1356 N PRO A 81 12.615 2.591 7.552 1.00 0.00 N ATOM 1357 CA PRO A 81 13.564 3.400 6.781 1.00 0.00 C ATOM 1358 C PRO A 81 13.881 2.784 5.422 1.00 0.00 C ATOM 1359 O PRO A 81 14.657 3.337 4.645 1.00 0.00 O ATOM 1360 CB PRO A 81 14.813 3.419 7.664 1.00 0.00 C ATOM 1361 CG PRO A 81 14.716 2.179 8.485 1.00 0.00 C ATOM 1362 CD PRO A 81 13.248 1.950 8.717 1.00 0.00 C ATOM 0 HA PRO A 81 13.168 4.391 6.558 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.722 3.426 7.063 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.840 4.309 8.293 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.166 1.332 7.967 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.247 2.294 9.430 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.010 0.888 8.770 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.914 2.398 9.653 1.00 0.00 H new ATOM 1370 N GLY A 82 13.273 1.634 5.142 1.00 0.00 N ATOM 1371 CA GLY A 82 13.504 0.962 3.877 1.00 0.00 C ATOM 1372 C GLY A 82 12.216 0.676 3.130 1.00 0.00 C ATOM 1373 O GLY A 82 11.854 1.402 2.205 1.00 0.00 O ATOM 0 H GLY A 82 12.625 1.157 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.152 1.578 3.254 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.032 0.025 4.057 1.00 0.00 H new ATOM 1377 N GLN A 83 11.526 -0.387 3.530 1.00 0.00 N ATOM 1378 CA GLN A 83 10.273 -0.769 2.889 1.00 0.00 C ATOM 1379 C GLN A 83 9.502 0.462 2.424 1.00 0.00 C ATOM 1380 O GLN A 83 9.297 1.404 3.190 1.00 0.00 O ATOM 1381 CB GLN A 83 9.413 -1.590 3.852 1.00 0.00 C ATOM 1382 CG GLN A 83 10.090 -2.860 4.341 1.00 0.00 C ATOM 1383 CD GLN A 83 10.264 -3.889 3.242 1.00 0.00 C ATOM 1384 OE1 GLN A 83 11.064 -3.704 2.324 1.00 0.00 O ATOM 1385 NE2 GLN A 83 9.515 -4.981 3.329 1.00 0.00 N ATOM 0 H GLN A 83 11.813 -0.999 4.294 1.00 0.00 H new ATOM 0 HA GLN A 83 10.511 -1.377 2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.154 -0.972 4.712 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.479 -1.854 3.357 1.00 0.00 H new ATOM 0 HG2 GLN A 83 11.066 -2.610 4.757 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.501 -3.293 5.149 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.865 -5.093 4.107 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.589 -5.708 2.618 1.00 0.00 H new ATOM 1394 N ARG A 84 9.079 0.448 1.164 1.00 0.00 N ATOM 1395 CA ARG A 84 8.332 1.564 0.596 1.00 0.00 C ATOM 1396 C ARG A 84 6.951 1.675 1.235 1.00 0.00 C ATOM 1397 O ARG A 84 6.307 0.666 1.525 1.00 0.00 O ATOM 1398 CB ARG A 84 8.194 1.395 -0.918 1.00 0.00 C ATOM 1399 CG ARG A 84 8.107 2.711 -1.672 1.00 0.00 C ATOM 1400 CD ARG A 84 9.487 3.242 -2.029 1.00 0.00 C ATOM 1401 NE ARG A 84 10.097 2.489 -3.121 1.00 0.00 N ATOM 1402 CZ ARG A 84 11.342 2.684 -3.542 1.00 0.00 C ATOM 1403 NH1 ARG A 84 12.104 3.602 -2.966 1.00 0.00 N ATOM 1404 NH2 ARG A 84 11.826 1.958 -4.542 1.00 0.00 N ATOM 0 H ARG A 84 9.241 -0.324 0.517 1.00 0.00 H new ATOM 0 HA ARG A 84 8.884 2.481 0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.047 0.828 -1.291 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.302 0.805 -1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.523 2.572 -2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.580 3.446 -1.064 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.410 4.292 -2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.132 3.195 -1.151 1.00 0.00 H new ATOM 0 HE ARG A 84 9.537 1.774 -3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.735 4.162 -2.197 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.059 3.749 -3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.242 1.250 -4.988 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.782 2.108 -4.865 1.00 0.00 H new ATOM 1418 N LEU A 85 6.502 2.906 1.451 1.00 0.00 N ATOM 1419 CA LEU A 85 5.197 3.150 2.055 1.00 0.00 C ATOM 1420 C LEU A 85 4.873 2.086 3.099 1.00 0.00 C ATOM 1421 O LEU A 85 3.775 1.527 3.112 1.00 0.00 O ATOM 1422 CB LEU A 85 4.110 3.172 0.979 1.00 0.00 C ATOM 1423 CG LEU A 85 4.018 4.450 0.144 1.00 0.00 C ATOM 1424 CD1 LEU A 85 4.989 4.395 -1.025 1.00 0.00 C ATOM 1425 CD2 LEU A 85 2.595 4.662 -0.352 1.00 0.00 C ATOM 0 H LEU A 85 7.023 3.751 1.217 1.00 0.00 H new ATOM 0 HA LEU A 85 5.229 4.121 2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.278 2.332 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.146 3.006 1.461 1.00 0.00 H new ATOM 0 HG LEU A 85 4.291 5.295 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.909 5.313 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.007 4.292 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.748 3.541 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.548 5.576 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.294 3.815 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.921 4.748 0.501 1.00 0.00 H new ATOM 1437 N LEU A 86 5.834 1.811 3.974 1.00 0.00 N ATOM 1438 CA LEU A 86 5.651 0.815 5.024 1.00 0.00 C ATOM 1439 C LEU A 86 5.312 1.481 6.353 1.00 0.00 C ATOM 1440 O LEU A 86 5.941 2.464 6.745 1.00 0.00 O ATOM 1441 CB LEU A 86 6.914 -0.035 5.174 1.00 0.00 C ATOM 1442 CG LEU A 86 6.706 -1.465 5.675 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.883 -1.468 6.954 1.00 0.00 C ATOM 1444 CD2 LEU A 86 6.034 -2.312 4.604 1.00 0.00 C ATOM 0 H LEU A 86 6.748 2.264 3.977 1.00 0.00 H new ATOM 0 HA LEU A 86 4.819 0.171 4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.415 -0.080 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.591 0.474 5.860 1.00 0.00 H new ATOM 0 HG LEU A 86 7.682 -1.899 5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.745 -2.494 7.296 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.403 -0.896 7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.910 -1.016 6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.894 -3.326 4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.065 -1.880 4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.661 -2.337 3.713 1.00 0.00 H new ATOM 1456 N PHE A 87 4.314 0.938 7.043 1.00 0.00 N ATOM 1457 CA PHE A 87 3.892 1.479 8.330 1.00 0.00 C ATOM 1458 C PHE A 87 3.698 0.363 9.352 1.00 0.00 C ATOM 1459 O PHE A 87 3.041 -0.641 9.074 1.00 0.00 O ATOM 1460 CB PHE A 87 2.593 2.273 8.172 1.00 0.00 C ATOM 1461 CG PHE A 87 2.666 3.336 7.113 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.689 4.270 7.120 1.00 0.00 C ATOM 1463 CD2 PHE A 87 1.711 3.401 6.111 1.00 0.00 C ATOM 1464 CE1 PHE A 87 3.758 5.250 6.148 1.00 0.00 C ATOM 1465 CE2 PHE A 87 1.775 4.378 5.136 1.00 0.00 C ATOM 1466 CZ PHE A 87 2.800 5.303 5.154 1.00 0.00 C ATOM 0 H PHE A 87 3.783 0.124 6.733 1.00 0.00 H new ATOM 0 HA PHE A 87 4.676 2.145 8.690 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.783 1.585 7.930 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.342 2.738 9.126 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.441 4.232 7.894 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.907 2.680 6.092 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.560 5.973 6.165 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.024 4.418 4.361 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.853 6.067 4.392 1.00 0.00 H new ATOM 1476 N ARG A 88 4.274 0.546 10.536 1.00 0.00 N ATOM 1477 CA ARG A 88 4.166 -0.446 11.599 1.00 0.00 C ATOM 1478 C ARG A 88 3.484 0.148 12.829 1.00 0.00 C ATOM 1479 O ARG A 88 4.028 1.037 13.484 1.00 0.00 O ATOM 1480 CB ARG A 88 5.551 -0.973 11.976 1.00 0.00 C ATOM 1481 CG ARG A 88 5.534 -1.957 13.134 1.00 0.00 C ATOM 1482 CD ARG A 88 5.689 -1.248 14.470 1.00 0.00 C ATOM 1483 NE ARG A 88 6.186 -2.144 15.511 1.00 0.00 N ATOM 1484 CZ ARG A 88 7.466 -2.475 15.646 1.00 0.00 C ATOM 1485 NH1 ARG A 88 8.372 -1.987 14.811 1.00 0.00 N ATOM 1486 NH2 ARG A 88 7.840 -3.296 16.619 1.00 0.00 N ATOM 0 H ARG A 88 4.820 1.372 10.783 1.00 0.00 H new ATOM 0 HA ARG A 88 3.558 -1.272 11.231 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.996 -1.456 11.106 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.193 -0.131 12.235 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.598 -2.516 13.124 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.339 -2.681 13.010 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.374 -0.408 14.357 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.727 -0.836 14.775 1.00 0.00 H new ATOM 0 HE ARG A 88 5.514 -2.537 16.170 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.088 -1.355 14.062 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.354 -2.243 14.917 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.145 -3.673 17.263 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.822 -3.550 16.723 1.00 0.00 H new ATOM 1500 N PHE A 89 2.291 -0.350 13.136 1.00 0.00 N ATOM 1501 CA PHE A 89 1.534 0.132 14.285 1.00 0.00 C ATOM 1502 C PHE A 89 2.134 -0.390 15.588 1.00 0.00 C ATOM 1503 O PHE A 89 1.691 -1.406 16.124 1.00 0.00 O ATOM 1504 CB PHE A 89 0.070 -0.299 14.176 1.00 0.00 C ATOM 1505 CG PHE A 89 -0.793 0.691 13.446 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -0.949 1.981 13.926 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.448 0.330 12.279 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -1.742 2.894 13.257 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.242 1.239 11.606 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.390 2.522 12.096 1.00 0.00 C ATOM 0 H PHE A 89 1.828 -1.087 12.605 1.00 0.00 H new ATOM 0 HA PHE A 89 1.585 1.221 14.292 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.019 -1.260 13.664 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.332 -0.450 15.178 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.445 2.277 14.834 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.337 -0.672 11.892 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.855 3.897 13.642 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.747 0.946 10.697 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.012 3.233 11.572 1.00 0.00 H new ATOM 1520 N MET A 90 3.143 0.313 16.091 1.00 0.00 N ATOM 1521 CA MET A 90 3.803 -0.079 17.331 1.00 0.00 C ATOM 1522 C MET A 90 2.784 -0.288 18.447 1.00 0.00 C ATOM 1523 O MET A 90 2.499 -1.420 18.838 1.00 0.00 O ATOM 1524 CB MET A 90 4.822 0.983 17.749 1.00 0.00 C ATOM 1525 CG MET A 90 6.031 1.060 16.830 1.00 0.00 C ATOM 1526 SD MET A 90 7.514 1.634 17.679 1.00 0.00 S ATOM 1527 CE MET A 90 7.322 3.409 17.532 1.00 0.00 C ATOM 0 H MET A 90 3.521 1.156 15.660 1.00 0.00 H new ATOM 0 HA MET A 90 4.322 -1.021 17.155 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.331 1.956 17.773 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.160 0.771 18.763 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.220 0.076 16.402 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.809 1.731 16.000 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.245 3.844 17.149 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.504 3.631 16.847 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.100 3.833 18.511 1.00 0.00 H new ATOM 1537 N LYS A 91 2.237 0.810 18.956 1.00 0.00 N ATOM 1538 CA LYS A 91 1.248 0.748 20.026 1.00 0.00 C ATOM 1539 C LYS A 91 -0.166 0.700 19.458 1.00 0.00 C ATOM 1540 O LYS A 91 -0.413 1.148 18.338 1.00 0.00 O ATOM 1541 CB LYS A 91 1.395 1.955 20.955 1.00 0.00 C ATOM 1542 CG LYS A 91 0.989 1.671 22.391 1.00 0.00 C ATOM 1543 CD LYS A 91 2.166 1.178 23.216 1.00 0.00 C ATOM 1544 CE LYS A 91 1.730 0.755 24.611 1.00 0.00 C ATOM 1545 NZ LYS A 91 1.534 1.926 25.509 1.00 0.00 N ATOM 0 H LYS A 91 2.462 1.755 18.645 1.00 0.00 H new ATOM 0 HA LYS A 91 1.423 -0.165 20.596 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.432 2.291 20.939 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.789 2.775 20.570 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.582 2.577 22.841 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.195 0.924 22.405 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.639 0.336 22.710 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.915 1.966 23.291 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.801 0.188 24.545 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.480 0.090 25.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.237 1.596 26.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.427 2.453 25.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.801 2.548 25.113 1.00 0.00 H new ATOM 1559 N THR A 92 -1.095 0.154 20.238 1.00 0.00 N ATOM 1560 CA THR A 92 -2.484 0.048 19.813 1.00 0.00 C ATOM 1561 C THR A 92 -3.105 1.426 19.612 1.00 0.00 C ATOM 1562 O THR A 92 -2.966 2.323 20.444 1.00 0.00 O ATOM 1563 CB THR A 92 -3.326 -0.738 20.836 1.00 0.00 C ATOM 1564 OG1 THR A 92 -2.833 -2.078 20.950 1.00 0.00 O ATOM 1565 CG2 THR A 92 -4.791 -0.765 20.425 1.00 0.00 C ATOM 0 H THR A 92 -0.909 -0.222 21.168 1.00 0.00 H new ATOM 0 HA THR A 92 -2.484 -0.489 18.864 1.00 0.00 H new ATOM 0 HB THR A 92 -3.245 -0.238 21.801 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.372 -2.571 21.603 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.366 -1.325 21.162 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.172 0.255 20.367 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.887 -1.244 19.450 1.00 0.00 H new ATOM 1573 N PRO A 93 -3.808 1.600 18.483 1.00 0.00 N ATOM 1574 CA PRO A 93 -4.465 2.867 18.148 1.00 0.00 C ATOM 1575 C PRO A 93 -5.658 3.158 19.051 1.00 0.00 C ATOM 1576 O PRO A 93 -5.808 4.269 19.559 1.00 0.00 O ATOM 1577 CB PRO A 93 -4.927 2.656 16.704 1.00 0.00 C ATOM 1578 CG PRO A 93 -5.071 1.179 16.565 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.015 0.575 17.447 1.00 0.00 C ATOM 0 HA PRO A 93 -3.797 3.719 18.277 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.871 3.166 16.512 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.201 3.052 15.994 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.066 0.854 16.869 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.937 0.870 15.528 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.344 -0.371 17.878 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.098 0.372 16.894 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.504 2.152 19.248 1.00 0.00 N ATOM 1588 CA ASP A 94 -7.684 2.300 20.092 1.00 0.00 C ATOM 1589 C ASP A 94 -7.300 2.800 21.481 1.00 0.00 C ATOM 1590 O ASP A 94 -8.096 3.448 22.159 1.00 0.00 O ATOM 1591 CB ASP A 94 -8.428 0.968 20.203 1.00 0.00 C ATOM 1592 CG ASP A 94 -9.928 1.150 20.326 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -10.556 1.581 19.336 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -10.473 0.862 21.411 1.00 0.00 O ATOM 0 H ASP A 94 -6.394 1.226 18.835 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.341 3.037 19.630 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.210 0.359 19.326 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.059 0.421 21.070 1.00 0.00 H new ATOM 1599 N GLU A 95 -6.075 2.492 21.897 1.00 0.00 N ATOM 1600 CA GLU A 95 -5.587 2.909 23.206 1.00 0.00 C ATOM 1601 C GLU A 95 -5.368 4.419 23.250 1.00 0.00 C ATOM 1602 O GLU A 95 -5.614 5.063 24.270 1.00 0.00 O ATOM 1603 CB GLU A 95 -4.283 2.184 23.543 1.00 0.00 C ATOM 1604 CG GLU A 95 -4.489 0.867 24.273 1.00 0.00 C ATOM 1605 CD GLU A 95 -4.873 1.060 25.727 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -4.094 1.696 26.467 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -5.952 0.573 26.125 1.00 0.00 O ATOM 0 H GLU A 95 -5.404 1.956 21.347 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.342 2.647 23.947 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.733 1.996 22.621 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.663 2.837 24.157 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.267 0.294 23.769 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.573 0.278 24.218 1.00 0.00 H new ATOM 1794 N LEU A 107 -4.933 17.226 16.456 1.00 0.00 N ATOM 1795 CA LEU A 107 -4.457 17.114 15.082 1.00 0.00 C ATOM 1796 C LEU A 107 -5.568 16.623 14.159 1.00 0.00 C ATOM 1797 O LEU A 107 -5.324 15.847 13.236 1.00 0.00 O ATOM 1798 CB LEU A 107 -3.262 16.161 15.011 1.00 0.00 C ATOM 1799 CG LEU A 107 -1.885 16.796 15.208 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -1.515 17.652 14.006 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -1.858 17.625 16.484 1.00 0.00 C ATOM 0 HA LEU A 107 -4.145 18.104 14.750 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.395 15.387 15.767 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.276 15.665 14.041 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.148 15.998 15.301 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.532 18.096 14.164 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.493 17.031 13.110 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.254 18.443 13.881 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -0.871 18.069 16.608 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.606 18.415 16.420 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.078 16.985 17.338 1.00 0.00 H new ATOM 1813 N GLU A 108 -6.789 17.083 14.415 1.00 0.00 N ATOM 1814 CA GLU A 108 -7.937 16.692 13.605 1.00 0.00 C ATOM 1815 C GLU A 108 -7.894 17.366 12.237 1.00 0.00 C ATOM 1816 O GLU A 108 -7.893 16.697 11.204 1.00 0.00 O ATOM 1817 CB GLU A 108 -9.241 17.052 14.322 1.00 0.00 C ATOM 1818 CG GLU A 108 -10.473 16.924 13.442 1.00 0.00 C ATOM 1819 CD GLU A 108 -11.741 17.369 14.147 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -12.314 16.560 14.905 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -12.158 18.528 13.939 1.00 0.00 O ATOM 0 H GLU A 108 -7.008 17.726 15.176 1.00 0.00 H new ATOM 0 HA GLU A 108 -7.895 15.613 13.460 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.358 16.406 15.193 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.173 18.075 14.691 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -10.335 17.520 12.540 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.583 15.887 13.125 1.00 0.00 H new ATOM 1828 N SER A 109 -7.857 18.694 12.239 1.00 0.00 N ATOM 1829 CA SER A 109 -7.818 19.460 10.998 1.00 0.00 C ATOM 1830 C SER A 109 -6.655 20.447 11.006 1.00 0.00 C ATOM 1831 O SER A 109 -6.810 21.607 10.626 1.00 0.00 O ATOM 1832 CB SER A 109 -9.136 20.208 10.794 1.00 0.00 C ATOM 1833 OG SER A 109 -9.430 21.036 11.906 1.00 0.00 O ATOM 0 H SER A 109 -7.853 19.263 13.086 1.00 0.00 H new ATOM 0 HA SER A 109 -7.674 18.762 10.173 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.077 20.815 9.890 1.00 0.00 H new ATOM 0 HB3 SER A 109 -9.945 19.492 10.646 1.00 0.00 H new ATOM 0 HG SER A 109 -10.276 21.505 11.750 1.00 0.00 H new ATOM 1839 N GLN A 110 -5.491 19.978 11.443 1.00 0.00 N ATOM 1840 CA GLN A 110 -4.301 20.819 11.501 1.00 0.00 C ATOM 1841 C GLN A 110 -3.575 20.828 10.160 1.00 0.00 C ATOM 1842 O GLN A 110 -3.489 21.861 9.498 1.00 0.00 O ATOM 1843 CB GLN A 110 -3.359 20.331 12.602 1.00 0.00 C ATOM 1844 CG GLN A 110 -2.294 21.345 12.986 1.00 0.00 C ATOM 1845 CD GLN A 110 -1.030 21.205 12.161 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -1.077 21.183 10.930 1.00 0.00 O ATOM 1847 NE2 GLN A 110 0.110 21.108 12.835 1.00 0.00 N ATOM 0 H GLN A 110 -5.346 19.020 11.762 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.617 21.837 11.729 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.946 20.081 13.486 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -2.873 19.413 12.272 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.694 22.351 12.862 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.049 21.227 14.042 1.00 0.00 H new ATOM 0 HE21 GLN A 110 0.103 21.131 13.855 1.00 0.00 H new ATOM 0 HE22 GLN A 110 0.993 21.011 12.333 1.00 0.00 H new ATOM 1856 N GLU A 111 -3.052 19.670 9.768 1.00 0.00 N ATOM 1857 CA GLU A 111 -2.331 19.547 8.507 1.00 0.00 C ATOM 1858 C GLU A 111 -3.221 19.941 7.331 1.00 0.00 C ATOM 1859 O GLU A 111 -2.799 20.676 6.437 1.00 0.00 O ATOM 1860 CB GLU A 111 -1.826 18.115 8.320 1.00 0.00 C ATOM 1861 CG GLU A 111 -0.754 17.713 9.319 1.00 0.00 C ATOM 1862 CD GLU A 111 0.512 18.535 9.179 1.00 0.00 C ATOM 1863 OE1 GLU A 111 0.478 19.737 9.516 1.00 0.00 O ATOM 1864 OE2 GLU A 111 1.536 17.977 8.732 1.00 0.00 O ATOM 0 H GLU A 111 -3.114 18.805 10.305 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.478 20.225 8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.668 17.428 8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -1.429 18.007 7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.145 17.825 10.330 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -0.515 16.658 9.184 1.00 0.00 H new ATOM 1871 N LEU A 112 -4.454 19.447 7.338 1.00 0.00 N ATOM 1872 CA LEU A 112 -5.404 19.746 6.273 1.00 0.00 C ATOM 1873 C LEU A 112 -5.775 21.226 6.274 1.00 0.00 C ATOM 1874 O LEU A 112 -5.373 21.976 7.163 1.00 0.00 O ATOM 1875 CB LEU A 112 -6.664 18.893 6.432 1.00 0.00 C ATOM 1876 CG LEU A 112 -6.443 17.383 6.537 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -7.727 16.684 6.955 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -5.937 16.825 5.215 1.00 0.00 C ATOM 0 H LEU A 112 -4.819 18.837 8.070 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.930 19.509 5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.194 19.226 7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.319 19.086 5.582 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.687 17.198 7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.551 15.611 7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.048 17.063 7.925 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.504 16.877 6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.785 15.750 5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.670 17.022 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.993 17.303 4.956 1.00 0.00 H new