USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 799 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 66 HIS : no HE2:sc= -0.319 X(o=-1.7,f=-1.9) USER MOD Set 1.2: B 112 GLN : amide:sc= -1.36 X(o=-1.7,f=-1.9) USER MOD Set 2.1: A 65 TYR OH : rot -147:sc= -1.93! USER MOD Set 2.2: B 116 THR OG1 : rot 84:sc= 1.23 USER MOD Set 3.1: A 59 ASN : amide:sc= 0.854 K(o=0.81,f=-0.081) USER MOD Set 3.2: A 60 SER OG : rot 180:sc= -0.044 USER MOD Set 4.1: A 46 TYR OH : rot -159:sc= 2.04 USER MOD Set 4.2: A 71 LYS NZ :NH3+ 152:sc= 1.66 (180deg=0.892) USER MOD Set 5.1: A 20 HIS : no HE2:sc= -0.239 K(o=-0.24,f=-1.5!) USER MOD Set 5.2: A 24 GLN : amide:sc=-0.00146 X(o=-0.24,f=-0.54) USER MOD Set 6.1: A 17 HIS : no HE2:sc= -4.48! C(o=-3.4!,f=-13!) USER MOD Set 6.2: A 21 LYS NZ :NH3+ -162:sc= 1.13 (180deg=1.02) USER MOD Set 6.3: B 119 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.021) USER MOD Single : A 9 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.3) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.055) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -117:sc= -0.497! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -137:sc= -3.47! (180deg=-6.25!) USER MOD Single : A 42 ASN : amide:sc= -1.98 K(o=-2,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0679 (180deg=-0.363) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= 1.56 (180deg=1.07) USER MOD Single : A 54 MET CE :methyl 160:sc= -1.68 (180deg=-2.52!) USER MOD Single : A 55 TYR OH : rot 120:sc= -0.66 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 51:sc= 0.547 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.702 K(o=-0.7,f=-1.6!) USER MOD Single : A 77 LYS NZ :NH3+ -109:sc= 0.689 (180deg=-0.634) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 110 THR OG1 : rot 180:sc= 0 USER MOD Single : B 117 SER OG : rot 87:sc= 0.925 USER MOD Single : B 141 MET CE :methyl 149:sc= -1.13 (180deg=-1.84) USER MOD Single : B 143 SER OG : rot 180:sc= 0.00174 USER MOD Single : B 147 SER OG : rot 180:sc= -0.0568 USER MOD Single : B 150 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 5 22.110 -1.370 -5.765 1.00 0.00 N ATOM 73 CA GLY A 5 22.597 -2.025 -4.566 1.00 0.00 C ATOM 74 C GLY A 5 21.940 -1.582 -3.286 1.00 0.00 C ATOM 75 O GLY A 5 22.284 -2.073 -2.205 1.00 0.00 O ATOM 0 HA2 GLY A 5 22.457 -3.100 -4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.670 -1.850 -4.485 1.00 0.00 H new ATOM 79 N TRP A 6 21.006 -0.666 -3.373 1.00 0.00 N ATOM 80 CA TRP A 6 20.288 -0.239 -2.201 1.00 0.00 C ATOM 81 C TRP A 6 19.301 -1.302 -1.739 1.00 0.00 C ATOM 82 O TRP A 6 18.732 -1.193 -0.657 1.00 0.00 O ATOM 83 CB TRP A 6 19.596 1.105 -2.399 1.00 0.00 C ATOM 84 CG TRP A 6 18.607 1.173 -3.513 1.00 0.00 C ATOM 85 CD1 TRP A 6 18.845 1.597 -4.769 1.00 0.00 C ATOM 86 CD2 TRP A 6 17.215 0.832 -3.466 1.00 0.00 C ATOM 87 NE1 TRP A 6 17.695 1.574 -5.497 1.00 0.00 N ATOM 88 CE2 TRP A 6 16.688 1.099 -4.728 1.00 0.00 C ATOM 89 CE3 TRP A 6 16.370 0.334 -2.484 1.00 0.00 C ATOM 90 CZ2 TRP A 6 15.362 0.891 -5.032 1.00 0.00 C ATOM 91 CZ3 TRP A 6 15.044 0.125 -2.795 1.00 0.00 C ATOM 92 CH2 TRP A 6 14.556 0.404 -4.054 1.00 0.00 C ATOM 0 H TRP A 6 20.728 -0.205 -4.239 1.00 0.00 H new ATOM 0 HA TRP A 6 21.029 -0.100 -1.414 1.00 0.00 H new ATOM 0 HB2 TRP A 6 19.088 1.370 -1.472 1.00 0.00 H new ATOM 0 HB3 TRP A 6 20.360 1.863 -2.571 1.00 0.00 H new ATOM 0 HD1 TRP A 6 19.808 1.910 -5.144 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.606 1.869 -6.469 1.00 0.00 H new ATOM 0 HE3 TRP A 6 16.745 0.115 -1.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 14.975 1.108 -6.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 14.376 -0.264 -2.040 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.511 0.232 -4.267 1.00 0.00 H new ATOM 103 N HIS A 7 19.117 -2.338 -2.564 1.00 0.00 N ATOM 104 CA HIS A 7 18.229 -3.475 -2.240 1.00 0.00 C ATOM 105 C HIS A 7 18.636 -4.174 -0.921 1.00 0.00 C ATOM 106 O HIS A 7 17.830 -4.839 -0.271 1.00 0.00 O ATOM 107 CB HIS A 7 18.185 -4.510 -3.398 1.00 0.00 C ATOM 108 CG HIS A 7 19.474 -5.239 -3.681 1.00 0.00 C ATOM 109 ND1 HIS A 7 19.806 -6.462 -3.141 1.00 0.00 N ATOM 110 CD2 HIS A 7 20.496 -4.908 -4.489 1.00 0.00 C ATOM 111 CE1 HIS A 7 20.985 -6.824 -3.628 1.00 0.00 C ATOM 112 NE2 HIS A 7 21.457 -5.908 -4.460 1.00 0.00 N ATOM 0 H HIS A 7 19.574 -2.418 -3.472 1.00 0.00 H new ATOM 0 HA HIS A 7 17.231 -3.058 -2.106 1.00 0.00 H new ATOM 0 HB2 HIS A 7 17.416 -5.248 -3.170 1.00 0.00 H new ATOM 0 HB3 HIS A 7 17.874 -3.995 -4.307 1.00 0.00 H new ATOM 0 HD2 HIS A 7 20.559 -4.001 -5.072 1.00 0.00 H new ATOM 0 HE1 HIS A 7 21.493 -7.744 -3.379 1.00 0.00 H new ATOM 0 HE2 HIS A 7 22.340 -5.933 -4.971 1.00 0.00 H new ATOM 120 N GLU A 8 19.884 -3.996 -0.535 1.00 0.00 N ATOM 121 CA GLU A 8 20.417 -4.593 0.677 1.00 0.00 C ATOM 122 C GLU A 8 19.920 -3.841 1.908 1.00 0.00 C ATOM 123 O GLU A 8 19.920 -4.366 3.017 1.00 0.00 O ATOM 124 CB GLU A 8 21.929 -4.516 0.657 1.00 0.00 C ATOM 125 CG GLU A 8 22.581 -5.135 -0.555 1.00 0.00 C ATOM 126 CD GLU A 8 24.066 -4.983 -0.500 1.00 0.00 C ATOM 127 OE1 GLU A 8 24.584 -3.945 -0.943 1.00 0.00 O ATOM 128 OE2 GLU A 8 24.750 -5.883 0.037 1.00 0.00 O ATOM 0 H GLU A 8 20.559 -3.433 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 8 20.085 -5.630 0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 8 22.226 -3.469 0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 8 22.315 -5.008 1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 8 22.322 -6.192 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 8 22.197 -4.664 -1.460 1.00 0.00 H new ATOM 135 N HIS A 9 19.475 -2.623 1.685 1.00 0.00 N ATOM 136 CA HIS A 9 19.082 -1.705 2.753 1.00 0.00 C ATOM 137 C HIS A 9 17.596 -1.784 3.005 1.00 0.00 C ATOM 138 O HIS A 9 17.033 -1.000 3.782 1.00 0.00 O ATOM 139 CB HIS A 9 19.428 -0.268 2.362 1.00 0.00 C ATOM 140 CG HIS A 9 20.874 -0.014 2.067 1.00 0.00 C ATOM 141 ND1 HIS A 9 21.675 0.812 2.805 1.00 0.00 N ATOM 142 CD2 HIS A 9 21.637 -0.448 1.036 1.00 0.00 C ATOM 143 CE1 HIS A 9 22.863 0.867 2.212 1.00 0.00 C ATOM 144 NE2 HIS A 9 22.893 0.112 1.129 1.00 0.00 N ATOM 0 H HIS A 9 19.372 -2.230 0.749 1.00 0.00 H new ATOM 0 HA HIS A 9 19.621 -1.991 3.656 1.00 0.00 H new ATOM 0 HB2 HIS A 9 18.842 0.003 1.484 1.00 0.00 H new ATOM 0 HB3 HIS A 9 19.117 0.395 3.169 1.00 0.00 H new ATOM 0 HD2 HIS A 9 21.312 -1.127 0.262 1.00 0.00 H new ATOM 0 HE1 HIS A 9 23.696 1.453 2.570 1.00 0.00 H new ATOM 0 HE2 HIS A 9 23.680 -0.027 0.495 1.00 0.00 H new ATOM 152 N VAL A 10 16.957 -2.681 2.316 1.00 0.00 N ATOM 153 CA VAL A 10 15.552 -2.893 2.465 1.00 0.00 C ATOM 154 C VAL A 10 15.375 -4.359 2.640 1.00 0.00 C ATOM 155 O VAL A 10 15.584 -5.142 1.706 1.00 0.00 O ATOM 156 CB VAL A 10 14.749 -2.447 1.217 1.00 0.00 C ATOM 157 CG1 VAL A 10 13.528 -1.665 1.572 1.00 0.00 C ATOM 158 CG2 VAL A 10 15.606 -1.780 0.194 1.00 0.00 C ATOM 0 H VAL A 10 17.401 -3.290 1.629 1.00 0.00 H new ATOM 0 HA VAL A 10 15.184 -2.308 3.308 1.00 0.00 H new ATOM 0 HB VAL A 10 14.383 -3.357 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.003 -1.377 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.872 -2.276 2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.817 -0.770 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.994 -1.488 -0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 10 16.069 -0.894 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 10 16.382 -2.470 -0.136 1.00 0.00 H new ATOM 168 N THR A 11 15.024 -4.736 3.816 1.00 0.00 N ATOM 169 CA THR A 11 14.844 -6.099 4.144 1.00 0.00 C ATOM 170 C THR A 11 13.534 -6.582 3.534 1.00 0.00 C ATOM 171 O THR A 11 12.620 -5.764 3.298 1.00 0.00 O ATOM 172 CB THR A 11 14.800 -6.244 5.670 1.00 0.00 C ATOM 173 OG1 THR A 11 15.941 -5.564 6.230 1.00 0.00 O ATOM 174 CG2 THR A 11 14.863 -7.698 6.069 1.00 0.00 C ATOM 0 H THR A 11 14.851 -4.093 4.589 1.00 0.00 H new ATOM 0 HA THR A 11 15.667 -6.697 3.752 1.00 0.00 H new ATOM 0 HB THR A 11 13.869 -5.815 6.040 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.925 -5.647 7.206 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.831 -7.779 7.156 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.014 -8.230 5.640 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.790 -8.137 5.700 1.00 0.00 H new ATOM 182 N GLN A 12 13.444 -7.888 3.276 1.00 0.00 N ATOM 183 CA GLN A 12 12.250 -8.502 2.723 1.00 0.00 C ATOM 184 C GLN A 12 11.035 -8.122 3.546 1.00 0.00 C ATOM 185 O GLN A 12 9.986 -7.855 2.997 1.00 0.00 O ATOM 186 CB GLN A 12 12.396 -10.034 2.629 1.00 0.00 C ATOM 187 CG GLN A 12 11.195 -10.739 1.986 1.00 0.00 C ATOM 188 CD GLN A 12 10.363 -11.588 2.959 1.00 0.00 C ATOM 189 OE1 GLN A 12 9.760 -12.575 2.564 1.00 0.00 O ATOM 190 NE2 GLN A 12 10.323 -11.225 4.219 1.00 0.00 N ATOM 0 H GLN A 12 14.204 -8.546 3.448 1.00 0.00 H new ATOM 0 HA GLN A 12 12.114 -8.126 1.709 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.292 -10.268 2.054 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.546 -10.436 3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.548 -9.988 1.533 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.554 -11.379 1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.834 -10.398 4.528 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.781 -11.770 4.890 1.00 0.00 H new ATOM 199 N ASP A 13 11.207 -8.058 4.868 1.00 0.00 N ATOM 200 CA ASP A 13 10.110 -7.656 5.746 1.00 0.00 C ATOM 201 C ASP A 13 9.609 -6.273 5.450 1.00 0.00 C ATOM 202 O ASP A 13 8.451 -6.113 5.298 1.00 0.00 O ATOM 203 CB ASP A 13 10.421 -7.778 7.246 1.00 0.00 C ATOM 204 CG ASP A 13 9.337 -7.092 8.117 1.00 0.00 C ATOM 205 OD1 ASP A 13 8.161 -7.556 8.144 1.00 0.00 O ATOM 206 OD2 ASP A 13 9.646 -6.066 8.756 1.00 0.00 O ATOM 0 H ASP A 13 12.081 -8.276 5.347 1.00 0.00 H new ATOM 0 HA ASP A 13 9.324 -8.376 5.520 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.493 -8.831 7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 13 11.392 -7.328 7.454 1.00 0.00 H new ATOM 211 N LEU A 14 10.504 -5.309 5.237 1.00 0.00 N ATOM 212 CA LEU A 14 10.080 -3.903 5.124 1.00 0.00 C ATOM 213 C LEU A 14 9.278 -3.727 3.868 1.00 0.00 C ATOM 214 O LEU A 14 8.161 -3.229 3.893 1.00 0.00 O ATOM 215 CB LEU A 14 11.309 -2.945 5.187 1.00 0.00 C ATOM 216 CG LEU A 14 11.075 -1.391 5.157 1.00 0.00 C ATOM 217 CD1 LEU A 14 10.869 -0.854 3.763 1.00 0.00 C ATOM 218 CD2 LEU A 14 9.895 -0.990 6.008 1.00 0.00 C ATOM 0 H LEU A 14 11.507 -5.464 5.140 1.00 0.00 H new ATOM 0 HA LEU A 14 9.444 -3.641 5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.858 -3.176 6.100 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.962 -3.194 4.351 1.00 0.00 H new ATOM 0 HG LEU A 14 11.988 -0.956 5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.713 0.224 3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.749 -1.068 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.996 -1.329 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.764 0.091 5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.995 -1.480 5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.072 -1.291 7.041 1.00 0.00 H new ATOM 230 N ARG A 15 9.832 -4.172 2.787 1.00 0.00 N ATOM 231 CA ARG A 15 9.147 -4.122 1.532 1.00 0.00 C ATOM 232 C ARG A 15 7.826 -4.923 1.531 1.00 0.00 C ATOM 233 O ARG A 15 6.794 -4.406 1.124 1.00 0.00 O ATOM 234 CB ARG A 15 10.073 -4.546 0.441 1.00 0.00 C ATOM 235 CG ARG A 15 10.718 -5.876 0.626 1.00 0.00 C ATOM 236 CD ARG A 15 11.789 -6.036 -0.378 1.00 0.00 C ATOM 237 NE ARG A 15 11.264 -5.797 -1.741 1.00 0.00 N ATOM 238 CZ ARG A 15 11.666 -6.404 -2.847 1.00 0.00 C ATOM 239 NH1 ARG A 15 12.784 -7.127 -2.846 1.00 0.00 N ATOM 240 NH2 ARG A 15 10.971 -6.234 -3.970 1.00 0.00 N ATOM 0 H ARG A 15 10.767 -4.579 2.746 1.00 0.00 H new ATOM 0 HA ARG A 15 8.846 -3.090 1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.519 -4.558 -0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.855 -3.794 0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.130 -5.958 1.632 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.980 -6.671 0.518 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.600 -5.339 -0.167 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.208 -7.040 -0.314 1.00 0.00 H new ATOM 0 HE ARG A 15 10.525 -5.101 -1.837 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.334 -7.215 -1.991 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.091 -7.593 -3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.140 -5.642 -3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.269 -6.696 -4.829 1.00 0.00 H new ATOM 254 N SER A 16 7.850 -6.148 2.063 1.00 0.00 N ATOM 255 CA SER A 16 6.658 -7.002 2.116 1.00 0.00 C ATOM 256 C SER A 16 5.634 -6.398 3.092 1.00 0.00 C ATOM 257 O SER A 16 4.422 -6.631 2.997 1.00 0.00 O ATOM 258 CB SER A 16 7.072 -8.431 2.544 1.00 0.00 C ATOM 259 OG SER A 16 5.996 -9.361 2.530 1.00 0.00 O ATOM 0 H SER A 16 8.685 -6.573 2.465 1.00 0.00 H new ATOM 0 HA SER A 16 6.192 -7.060 1.132 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.859 -8.787 1.879 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.496 -8.393 3.547 1.00 0.00 H new ATOM 0 HG SER A 16 6.322 -10.243 2.808 1.00 0.00 H new ATOM 265 N HIS A 17 6.138 -5.585 3.983 1.00 0.00 N ATOM 266 CA HIS A 17 5.364 -4.920 4.980 1.00 0.00 C ATOM 267 C HIS A 17 4.533 -3.840 4.303 1.00 0.00 C ATOM 268 O HIS A 17 3.337 -3.682 4.602 1.00 0.00 O ATOM 269 CB HIS A 17 6.315 -4.304 5.995 1.00 0.00 C ATOM 270 CG HIS A 17 5.785 -4.154 7.337 1.00 0.00 C ATOM 271 ND1 HIS A 17 6.230 -4.882 8.409 1.00 0.00 N ATOM 272 CD2 HIS A 17 4.851 -3.341 7.787 1.00 0.00 C ATOM 273 CE1 HIS A 17 5.545 -4.492 9.467 1.00 0.00 C ATOM 274 NE2 HIS A 17 4.678 -3.553 9.149 1.00 0.00 N ATOM 0 H HIS A 17 7.133 -5.365 4.030 1.00 0.00 H new ATOM 0 HA HIS A 17 4.698 -5.615 5.491 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.214 -4.919 6.045 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.620 -3.323 5.632 1.00 0.00 H new ATOM 0 HD1 HIS A 17 6.958 -5.596 8.392 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.306 -2.623 7.191 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.678 -4.890 10.462 1.00 0.00 H new ATOM 282 N LEU A 18 5.158 -3.102 3.373 1.00 0.00 N ATOM 283 CA LEU A 18 4.412 -2.102 2.612 1.00 0.00 C ATOM 284 C LEU A 18 3.435 -2.787 1.693 1.00 0.00 C ATOM 285 O LEU A 18 2.355 -2.278 1.458 1.00 0.00 O ATOM 286 CB LEU A 18 5.287 -1.126 1.792 1.00 0.00 C ATOM 287 CG LEU A 18 6.243 -0.174 2.542 1.00 0.00 C ATOM 288 CD1 LEU A 18 5.889 -0.029 3.994 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.669 -0.591 2.393 1.00 0.00 C ATOM 0 H LEU A 18 6.148 -3.178 3.138 1.00 0.00 H new ATOM 0 HA LEU A 18 3.899 -1.493 3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.887 -1.720 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.619 -0.513 1.187 1.00 0.00 H new ATOM 0 HG LEU A 18 6.121 0.804 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.593 0.651 4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.879 0.371 4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.938 -1.004 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.310 0.104 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.799 -1.595 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.941 -0.587 1.337 1.00 0.00 H new ATOM 301 N VAL A 19 3.825 -3.957 1.195 1.00 0.00 N ATOM 302 CA VAL A 19 2.961 -4.790 0.354 1.00 0.00 C ATOM 303 C VAL A 19 1.659 -5.095 1.097 1.00 0.00 C ATOM 304 O VAL A 19 0.555 -4.917 0.559 1.00 0.00 O ATOM 305 CB VAL A 19 3.661 -6.135 -0.030 1.00 0.00 C ATOM 306 CG1 VAL A 19 2.758 -7.023 -0.827 1.00 0.00 C ATOM 307 CG2 VAL A 19 4.915 -5.891 -0.813 1.00 0.00 C ATOM 0 H VAL A 19 4.748 -4.357 1.361 1.00 0.00 H new ATOM 0 HA VAL A 19 2.752 -4.238 -0.562 1.00 0.00 H new ATOM 0 HB VAL A 19 3.909 -6.632 0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.281 -7.947 -1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.868 -7.255 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.466 -6.515 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.378 -6.845 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.673 -5.352 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.607 -5.298 -0.216 1.00 0.00 H new ATOM 317 N HIS A 20 1.790 -5.515 2.339 1.00 0.00 N ATOM 318 CA HIS A 20 0.632 -5.822 3.140 1.00 0.00 C ATOM 319 C HIS A 20 -0.182 -4.553 3.420 1.00 0.00 C ATOM 320 O HIS A 20 -1.408 -4.590 3.431 1.00 0.00 O ATOM 321 CB HIS A 20 1.011 -6.539 4.442 1.00 0.00 C ATOM 322 CG HIS A 20 -0.187 -7.032 5.196 1.00 0.00 C ATOM 323 ND1 HIS A 20 -0.482 -6.686 6.489 1.00 0.00 N ATOM 324 CD2 HIS A 20 -1.195 -7.846 4.792 1.00 0.00 C ATOM 325 CE1 HIS A 20 -1.630 -7.276 6.818 1.00 0.00 C ATOM 326 NE2 HIS A 20 -2.105 -7.991 5.827 1.00 0.00 N ATOM 0 H HIS A 20 2.685 -5.650 2.810 1.00 0.00 H new ATOM 0 HA HIS A 20 0.008 -6.510 2.569 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.664 -7.381 4.212 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.580 -5.858 5.075 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.078 -6.084 7.092 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.275 -8.307 3.819 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.110 -7.178 7.781 1.00 0.00 H new ATOM 334 N LYS A 21 0.494 -3.428 3.625 1.00 0.00 N ATOM 335 CA LYS A 21 -0.225 -2.176 3.801 1.00 0.00 C ATOM 336 C LYS A 21 -0.947 -1.754 2.532 1.00 0.00 C ATOM 337 O LYS A 21 -2.025 -1.181 2.607 1.00 0.00 O ATOM 338 CB LYS A 21 0.621 -1.021 4.347 1.00 0.00 C ATOM 339 CG LYS A 21 0.593 -0.885 5.866 1.00 0.00 C ATOM 340 CD LYS A 21 1.467 -1.877 6.619 1.00 0.00 C ATOM 341 CE LYS A 21 1.287 -1.656 8.131 1.00 0.00 C ATOM 342 NZ LYS A 21 2.031 -2.616 8.977 1.00 0.00 N ATOM 0 H LYS A 21 1.510 -3.358 3.672 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.961 -2.396 4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.653 -1.159 4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.271 -0.089 3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.906 0.125 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.436 -1.000 6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.193 -2.898 6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.513 -1.744 6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.608 -0.645 8.380 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.226 -1.722 8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.636 -2.609 9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.946 -3.571 8.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.034 -2.343 9.012 1.00 0.00 H new ATOM 356 N LEU A 22 -0.344 -2.032 1.373 1.00 0.00 N ATOM 357 CA LEU A 22 -0.978 -1.777 0.078 1.00 0.00 C ATOM 358 C LEU A 22 -2.307 -2.498 0.028 1.00 0.00 C ATOM 359 O LEU A 22 -3.320 -1.909 -0.336 1.00 0.00 O ATOM 360 CB LEU A 22 -0.063 -2.203 -1.090 1.00 0.00 C ATOM 361 CG LEU A 22 1.187 -1.335 -1.337 1.00 0.00 C ATOM 362 CD1 LEU A 22 2.122 -2.002 -2.327 1.00 0.00 C ATOM 363 CD2 LEU A 22 0.780 -0.007 -1.905 1.00 0.00 C ATOM 0 H LEU A 22 0.590 -2.437 1.306 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.148 -0.706 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.263 -3.228 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.658 -2.212 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 22 1.697 -1.206 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.996 -1.370 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.439 -2.968 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.604 -2.148 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.667 0.602 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.256 -0.160 -2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.121 0.503 -1.202 1.00 0.00 H new ATOM 375 N VAL A 23 -2.290 -3.759 0.451 1.00 0.00 N ATOM 376 CA VAL A 23 -3.495 -4.555 0.607 1.00 0.00 C ATOM 377 C VAL A 23 -4.483 -3.881 1.564 1.00 0.00 C ATOM 378 O VAL A 23 -5.639 -3.698 1.221 1.00 0.00 O ATOM 379 CB VAL A 23 -3.158 -5.979 1.129 1.00 0.00 C ATOM 380 CG1 VAL A 23 -4.366 -6.617 1.819 1.00 0.00 C ATOM 381 CG2 VAL A 23 -2.759 -6.837 -0.042 1.00 0.00 C ATOM 0 H VAL A 23 -1.434 -4.256 0.695 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.958 -4.637 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.348 -5.902 1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.099 -7.613 2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.670 -6.000 2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.191 -6.693 1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.519 -7.841 0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.583 -6.888 -0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.885 -6.404 -0.529 1.00 0.00 H new ATOM 391 N GLN A 24 -4.003 -3.493 2.746 1.00 0.00 N ATOM 392 CA GLN A 24 -4.864 -2.896 3.767 1.00 0.00 C ATOM 393 C GLN A 24 -5.515 -1.607 3.277 1.00 0.00 C ATOM 394 O GLN A 24 -6.624 -1.276 3.676 1.00 0.00 O ATOM 395 CB GLN A 24 -4.111 -2.609 5.069 1.00 0.00 C ATOM 396 CG GLN A 24 -3.429 -3.803 5.711 1.00 0.00 C ATOM 397 CD GLN A 24 -2.961 -3.486 7.115 1.00 0.00 C ATOM 398 OE1 GLN A 24 -2.593 -2.354 7.425 1.00 0.00 O ATOM 399 NE2 GLN A 24 -3.018 -4.452 7.982 1.00 0.00 N ATOM 0 H GLN A 24 -3.024 -3.581 3.020 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.638 -3.636 3.967 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.358 -1.846 4.871 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.813 -2.185 5.787 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.119 -4.646 5.738 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.577 -4.107 5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.328 -5.380 7.692 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.753 -4.283 8.952 1.00 0.00 H new ATOM 408 N ALA A 25 -4.813 -0.881 2.439 1.00 0.00 N ATOM 409 CA ALA A 25 -5.315 0.354 1.908 1.00 0.00 C ATOM 410 C ALA A 25 -6.304 0.128 0.797 1.00 0.00 C ATOM 411 O ALA A 25 -7.362 0.739 0.799 1.00 0.00 O ATOM 412 CB ALA A 25 -4.189 1.158 1.390 1.00 0.00 C ATOM 0 H ALA A 25 -3.881 -1.133 2.110 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.826 0.878 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.568 2.097 0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.489 1.367 2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.678 0.604 0.602 1.00 0.00 H new ATOM 418 N ILE A 26 -5.967 -0.763 -0.136 1.00 0.00 N ATOM 419 CA ILE A 26 -6.822 -1.017 -1.295 1.00 0.00 C ATOM 420 C ILE A 26 -8.084 -1.743 -0.850 1.00 0.00 C ATOM 421 O ILE A 26 -9.181 -1.514 -1.362 1.00 0.00 O ATOM 422 CB ILE A 26 -6.084 -1.852 -2.413 1.00 0.00 C ATOM 423 CG1 ILE A 26 -6.975 -2.010 -3.624 1.00 0.00 C ATOM 424 CG2 ILE A 26 -5.650 -3.230 -1.931 1.00 0.00 C ATOM 425 CD1 ILE A 26 -6.427 -2.941 -4.672 1.00 0.00 C ATOM 0 H ILE A 26 -5.112 -1.318 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.081 -0.052 -1.732 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.185 -1.293 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.949 -2.378 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.137 -1.030 -4.073 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.148 -3.758 -2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.965 -3.122 -1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.526 -3.798 -1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.125 -3.000 -5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.467 -2.565 -5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.291 -3.933 -4.242 1.00 0.00 H new ATOM 437 N PHE A 27 -7.909 -2.582 0.119 1.00 0.00 N ATOM 438 CA PHE A 27 -8.947 -3.335 0.686 1.00 0.00 C ATOM 439 C PHE A 27 -8.961 -3.146 2.170 1.00 0.00 C ATOM 440 O PHE A 27 -8.221 -3.824 2.895 1.00 0.00 O ATOM 441 CB PHE A 27 -8.810 -4.812 0.311 1.00 0.00 C ATOM 442 CG PHE A 27 -9.731 -5.224 -0.790 1.00 0.00 C ATOM 443 CD1 PHE A 27 -9.545 -4.755 -2.074 1.00 0.00 C ATOM 444 CD2 PHE A 27 -10.786 -6.078 -0.538 1.00 0.00 C ATOM 445 CE1 PHE A 27 -10.396 -5.128 -3.090 1.00 0.00 C ATOM 446 CE2 PHE A 27 -11.639 -6.457 -1.549 1.00 0.00 C ATOM 447 CZ PHE A 27 -11.445 -5.980 -2.827 1.00 0.00 C ATOM 0 H PHE A 27 -6.999 -2.758 0.544 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.899 -2.984 0.288 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.781 -5.010 0.010 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.008 -5.424 1.191 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.722 -4.088 -2.285 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -10.943 -6.452 0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -10.241 -4.753 -4.091 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -12.460 -7.128 -1.341 1.00 0.00 H new ATOM 0 HZ PHE A 27 -12.115 -6.274 -3.621 1.00 0.00 H new ATOM 457 N PRO A 28 -9.723 -2.148 2.657 1.00 0.00 N ATOM 458 CA PRO A 28 -9.902 -1.951 4.075 1.00 0.00 C ATOM 459 C PRO A 28 -10.646 -3.153 4.631 1.00 0.00 C ATOM 460 O PRO A 28 -11.872 -3.252 4.531 1.00 0.00 O ATOM 461 CB PRO A 28 -10.738 -0.666 4.178 1.00 0.00 C ATOM 462 CG PRO A 28 -11.375 -0.509 2.841 1.00 0.00 C ATOM 463 CD PRO A 28 -10.445 -1.135 1.854 1.00 0.00 C ATOM 0 HA PRO A 28 -8.973 -1.858 4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.488 -0.746 4.965 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.112 0.193 4.420 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.351 -0.994 2.817 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.536 0.544 2.609 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.986 -1.591 1.025 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.762 -0.402 1.424 1.00 0.00 H new ATOM 471 N THR A 29 -9.892 -4.083 5.132 1.00 0.00 N ATOM 472 CA THR A 29 -10.403 -5.353 5.510 1.00 0.00 C ATOM 473 C THR A 29 -11.331 -5.282 6.743 1.00 0.00 C ATOM 474 O THR A 29 -11.059 -4.548 7.703 1.00 0.00 O ATOM 475 CB THR A 29 -9.244 -6.371 5.707 1.00 0.00 C ATOM 476 OG1 THR A 29 -9.765 -7.686 5.794 1.00 0.00 O ATOM 477 CG2 THR A 29 -8.420 -6.063 6.960 1.00 0.00 C ATOM 0 H THR A 29 -8.890 -3.974 5.290 1.00 0.00 H new ATOM 0 HA THR A 29 -11.030 -5.708 4.692 1.00 0.00 H new ATOM 0 HB THR A 29 -8.585 -6.288 4.843 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.565 -8.059 6.678 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.621 -6.798 7.060 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.987 -5.066 6.875 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.064 -6.105 7.838 1.00 0.00 H new ATOM 485 N PRO A 30 -12.467 -5.999 6.689 1.00 0.00 N ATOM 486 CA PRO A 30 -13.425 -6.078 7.805 1.00 0.00 C ATOM 487 C PRO A 30 -12.914 -7.000 8.920 1.00 0.00 C ATOM 488 O PRO A 30 -13.290 -6.865 10.092 1.00 0.00 O ATOM 489 CB PRO A 30 -14.660 -6.707 7.152 1.00 0.00 C ATOM 490 CG PRO A 30 -14.118 -7.510 6.022 1.00 0.00 C ATOM 491 CD PRO A 30 -12.933 -6.757 5.506 1.00 0.00 C ATOM 0 HA PRO A 30 -13.605 -5.108 8.268 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.206 -7.333 7.857 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.354 -5.944 6.799 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.831 -8.507 6.356 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.868 -7.639 5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.162 -7.430 5.130 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.205 -6.093 4.685 1.00 0.00 H new ATOM 499 N ASP A 31 -12.059 -7.932 8.540 1.00 0.00 N ATOM 500 CA ASP A 31 -11.492 -8.922 9.445 1.00 0.00 C ATOM 501 C ASP A 31 -10.127 -9.280 8.968 1.00 0.00 C ATOM 502 O ASP A 31 -9.903 -9.345 7.770 1.00 0.00 O ATOM 503 CB ASP A 31 -12.316 -10.232 9.493 1.00 0.00 C ATOM 504 CG ASP A 31 -13.646 -10.117 10.181 1.00 0.00 C ATOM 505 OD1 ASP A 31 -13.674 -9.861 11.403 1.00 0.00 O ATOM 506 OD2 ASP A 31 -14.688 -10.328 9.534 1.00 0.00 O ATOM 0 H ASP A 31 -11.732 -8.026 7.578 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.486 -8.478 10.440 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.480 -10.579 8.473 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.726 -10.997 9.999 1.00 0.00 H new ATOM 511 N PRO A 32 -9.184 -9.541 9.868 1.00 0.00 N ATOM 512 CA PRO A 32 -7.831 -9.965 9.486 1.00 0.00 C ATOM 513 C PRO A 32 -7.823 -11.310 8.731 1.00 0.00 C ATOM 514 O PRO A 32 -6.844 -11.674 8.090 1.00 0.00 O ATOM 515 CB PRO A 32 -7.091 -10.092 10.817 1.00 0.00 C ATOM 516 CG PRO A 32 -8.157 -10.178 11.857 1.00 0.00 C ATOM 517 CD PRO A 32 -9.317 -9.395 11.332 1.00 0.00 C ATOM 0 HA PRO A 32 -7.370 -9.254 8.801 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.457 -10.978 10.831 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.442 -9.233 10.989 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.439 -11.215 12.041 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.809 -9.769 12.806 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -10.267 -9.791 11.692 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.270 -8.350 11.639 1.00 0.00 H new ATOM 525 N ALA A 33 -8.936 -12.017 8.769 1.00 0.00 N ATOM 526 CA ALA A 33 -9.035 -13.288 8.099 1.00 0.00 C ATOM 527 C ALA A 33 -9.388 -13.127 6.615 1.00 0.00 C ATOM 528 O ALA A 33 -9.332 -14.084 5.850 1.00 0.00 O ATOM 529 CB ALA A 33 -10.006 -14.211 8.805 1.00 0.00 C ATOM 0 H ALA A 33 -9.783 -11.728 9.259 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.050 -13.752 8.143 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.057 -15.161 8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.666 -14.384 9.826 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.995 -13.753 8.824 1.00 0.00 H new ATOM 535 N ALA A 34 -9.734 -11.923 6.200 1.00 0.00 N ATOM 536 CA ALA A 34 -9.995 -11.667 4.786 1.00 0.00 C ATOM 537 C ALA A 34 -8.667 -11.499 4.058 1.00 0.00 C ATOM 538 O ALA A 34 -8.583 -11.578 2.836 1.00 0.00 O ATOM 539 CB ALA A 34 -10.875 -10.434 4.610 1.00 0.00 C ATOM 0 H ALA A 34 -9.841 -11.112 6.809 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.534 -12.513 4.359 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.055 -10.264 3.549 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.826 -10.590 5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.374 -9.565 5.036 1.00 0.00 H new ATOM 545 N LEU A 35 -7.610 -11.360 4.844 1.00 0.00 N ATOM 546 CA LEU A 35 -6.271 -11.155 4.332 1.00 0.00 C ATOM 547 C LEU A 35 -5.620 -12.509 4.010 1.00 0.00 C ATOM 548 O LEU A 35 -4.439 -12.593 3.687 1.00 0.00 O ATOM 549 CB LEU A 35 -5.442 -10.422 5.379 1.00 0.00 C ATOM 550 CG LEU A 35 -6.063 -9.147 5.948 1.00 0.00 C ATOM 551 CD1 LEU A 35 -5.357 -8.746 7.218 1.00 0.00 C ATOM 552 CD2 LEU A 35 -5.994 -8.019 4.937 1.00 0.00 C ATOM 0 H LEU A 35 -7.662 -11.387 5.862 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.318 -10.561 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.246 -11.107 6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.478 -10.168 4.939 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.111 -9.347 6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.809 -7.836 7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.448 -9.546 7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.303 -8.566 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.442 -7.121 5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.953 -7.820 4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.538 -8.304 4.037 1.00 0.00 H new ATOM 564 N LYS A 36 -6.396 -13.568 4.127 1.00 0.00 N ATOM 565 CA LYS A 36 -5.931 -14.906 3.810 1.00 0.00 C ATOM 566 C LYS A 36 -6.965 -15.619 2.942 1.00 0.00 C ATOM 567 O LYS A 36 -6.968 -16.844 2.816 1.00 0.00 O ATOM 568 CB LYS A 36 -5.603 -15.690 5.099 1.00 0.00 C ATOM 569 CG LYS A 36 -6.753 -15.791 6.095 1.00 0.00 C ATOM 570 CD LYS A 36 -6.338 -16.465 7.402 1.00 0.00 C ATOM 571 CE LYS A 36 -5.240 -15.683 8.125 1.00 0.00 C ATOM 572 NZ LYS A 36 -4.888 -16.291 9.422 1.00 0.00 N ATOM 0 H LYS A 36 -7.365 -13.527 4.444 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.005 -14.843 3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.288 -16.697 4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.755 -15.214 5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.132 -14.792 6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.571 -16.352 5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.207 -16.558 8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.986 -17.475 7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.353 -15.637 7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.571 -14.657 8.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.141 -15.729 9.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.728 -16.312 10.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.547 -17.262 9.269 1.00 0.00 H new ATOM 586 N ASP A 37 -7.808 -14.821 2.308 1.00 0.00 N ATOM 587 CA ASP A 37 -8.866 -15.307 1.412 1.00 0.00 C ATOM 588 C ASP A 37 -8.257 -15.594 0.038 1.00 0.00 C ATOM 589 O ASP A 37 -7.082 -15.333 -0.184 1.00 0.00 O ATOM 590 CB ASP A 37 -9.912 -14.205 1.247 1.00 0.00 C ATOM 591 CG ASP A 37 -11.161 -14.628 0.525 1.00 0.00 C ATOM 592 OD1 ASP A 37 -12.017 -15.289 1.125 1.00 0.00 O ATOM 593 OD2 ASP A 37 -11.287 -14.311 -0.667 1.00 0.00 O ATOM 0 H ASP A 37 -7.784 -13.805 2.396 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.318 -16.209 1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.187 -13.833 2.234 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.461 -13.372 0.707 1.00 0.00 H new ATOM 598 N ARG A 38 -9.031 -16.113 -0.873 1.00 0.00 N ATOM 599 CA ARG A 38 -8.573 -16.304 -2.238 1.00 0.00 C ATOM 600 C ARG A 38 -8.437 -14.980 -2.962 1.00 0.00 C ATOM 601 O ARG A 38 -7.580 -14.829 -3.814 1.00 0.00 O ATOM 602 CB ARG A 38 -9.445 -17.262 -3.042 1.00 0.00 C ATOM 603 CG ARG A 38 -10.856 -16.789 -3.423 1.00 0.00 C ATOM 604 CD ARG A 38 -11.798 -16.881 -2.255 1.00 0.00 C ATOM 605 NE ARG A 38 -11.863 -18.262 -1.757 1.00 0.00 N ATOM 606 CZ ARG A 38 -12.355 -18.666 -0.579 1.00 0.00 C ATOM 607 NH1 ARG A 38 -12.775 -17.784 0.325 1.00 0.00 N ATOM 608 NH2 ARG A 38 -12.367 -19.964 -0.295 1.00 0.00 N ATOM 0 H ARG A 38 -9.990 -16.416 -0.702 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.590 -16.769 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.914 -17.509 -3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.543 -18.186 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.813 -15.759 -3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.235 -17.394 -4.247 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.466 -16.216 -1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.792 -16.548 -2.554 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.495 -18.988 -2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.725 -16.785 0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.147 -18.107 1.218 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.005 -20.637 -0.970 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.739 -20.287 0.598 1.00 0.00 H new ATOM 622 N ARG A 39 -9.254 -13.998 -2.587 1.00 0.00 N ATOM 623 CA ARG A 39 -9.166 -12.672 -3.198 1.00 0.00 C ATOM 624 C ARG A 39 -7.835 -12.036 -2.822 1.00 0.00 C ATOM 625 O ARG A 39 -7.293 -11.178 -3.535 1.00 0.00 O ATOM 626 CB ARG A 39 -10.329 -11.799 -2.750 1.00 0.00 C ATOM 627 CG ARG A 39 -10.365 -10.429 -3.404 1.00 0.00 C ATOM 628 CD ARG A 39 -11.612 -9.664 -3.023 1.00 0.00 C ATOM 629 NE ARG A 39 -12.835 -10.353 -3.445 1.00 0.00 N ATOM 630 CZ ARG A 39 -13.864 -9.771 -4.076 1.00 0.00 C ATOM 631 NH1 ARG A 39 -13.796 -8.499 -4.434 1.00 0.00 N ATOM 632 NH2 ARG A 39 -14.937 -10.477 -4.388 1.00 0.00 N ATOM 0 H ARG A 39 -9.976 -14.092 -1.872 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.222 -12.768 -4.282 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.263 -12.318 -2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.278 -11.672 -1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.484 -9.860 -3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.323 -10.541 -4.487 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.632 -9.520 -1.943 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.581 -8.673 -3.476 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.908 -11.350 -3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.957 -7.956 -4.230 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.583 -8.062 -4.914 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.983 -11.467 -4.148 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.719 -10.031 -4.868 1.00 0.00 H new ATOM 646 N MET A 40 -7.296 -12.514 -1.717 1.00 0.00 N ATOM 647 CA MET A 40 -6.018 -12.094 -1.230 1.00 0.00 C ATOM 648 C MET A 40 -4.913 -12.382 -2.221 1.00 0.00 C ATOM 649 O MET A 40 -4.054 -11.552 -2.385 1.00 0.00 O ATOM 650 CB MET A 40 -5.722 -12.686 0.166 1.00 0.00 C ATOM 651 CG MET A 40 -4.256 -12.686 0.608 1.00 0.00 C ATOM 652 SD MET A 40 -3.439 -11.085 0.491 1.00 0.00 S ATOM 653 CE MET A 40 -4.643 -10.016 1.225 1.00 0.00 C ATOM 0 H MET A 40 -7.749 -13.215 -1.131 1.00 0.00 H new ATOM 0 HA MET A 40 -6.054 -11.011 -1.115 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.301 -12.130 0.903 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.085 -13.714 0.185 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.201 -13.033 1.640 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.707 -13.405 0.000 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.729 -9.105 0.633 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.608 -10.522 1.256 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.334 -9.762 2.239 1.00 0.00 H new ATOM 663 N GLU A 41 -4.969 -13.510 -2.951 1.00 0.00 N ATOM 664 CA GLU A 41 -3.858 -13.801 -3.886 1.00 0.00 C ATOM 665 C GLU A 41 -3.768 -12.694 -4.940 1.00 0.00 C ATOM 666 O GLU A 41 -2.704 -12.254 -5.277 1.00 0.00 O ATOM 667 CB GLU A 41 -3.964 -15.174 -4.578 1.00 0.00 C ATOM 668 CG GLU A 41 -5.093 -15.266 -5.566 1.00 0.00 C ATOM 669 CD GLU A 41 -5.104 -16.533 -6.366 1.00 0.00 C ATOM 670 OE1 GLU A 41 -5.288 -17.634 -5.796 1.00 0.00 O ATOM 671 OE2 GLU A 41 -4.963 -16.453 -7.601 1.00 0.00 O ATOM 0 H GLU A 41 -5.720 -14.200 -2.922 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.951 -13.835 -3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.026 -15.386 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.094 -15.945 -3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.038 -15.179 -5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.034 -14.418 -6.249 1.00 0.00 H new ATOM 678 N ASN A 42 -4.926 -12.205 -5.356 1.00 0.00 N ATOM 679 CA ASN A 42 -5.047 -11.158 -6.356 1.00 0.00 C ATOM 680 C ASN A 42 -4.579 -9.812 -5.805 1.00 0.00 C ATOM 681 O ASN A 42 -3.836 -9.071 -6.467 1.00 0.00 O ATOM 682 CB ASN A 42 -6.509 -11.100 -6.847 1.00 0.00 C ATOM 683 CG ASN A 42 -6.866 -9.835 -7.602 1.00 0.00 C ATOM 684 OD1 ASN A 42 -6.663 -9.729 -8.814 1.00 0.00 O ATOM 685 ND2 ASN A 42 -7.470 -8.901 -6.898 1.00 0.00 N ATOM 0 H ASN A 42 -5.825 -12.532 -5.001 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.401 -11.387 -7.203 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.697 -11.959 -7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.172 -11.195 -5.987 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.791 -8.047 -7.353 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.617 -9.032 -5.897 1.00 0.00 H new ATOM 692 N LEU A 43 -4.976 -9.526 -4.582 1.00 0.00 N ATOM 693 CA LEU A 43 -4.619 -8.284 -3.912 1.00 0.00 C ATOM 694 C LEU A 43 -3.152 -8.237 -3.574 1.00 0.00 C ATOM 695 O LEU A 43 -2.491 -7.224 -3.797 1.00 0.00 O ATOM 696 CB LEU A 43 -5.454 -8.123 -2.659 1.00 0.00 C ATOM 697 CG LEU A 43 -6.946 -8.013 -2.890 1.00 0.00 C ATOM 698 CD1 LEU A 43 -7.689 -8.041 -1.575 1.00 0.00 C ATOM 699 CD2 LEU A 43 -7.260 -6.744 -3.661 1.00 0.00 C ATOM 0 H LEU A 43 -5.557 -10.148 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.823 -7.459 -4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.265 -8.974 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.118 -7.232 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.275 -8.868 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.760 -7.961 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.479 -8.978 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.364 -7.205 -0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.336 -6.673 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.921 -5.879 -3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.749 -6.767 -4.624 1.00 0.00 H new ATOM 711 N VAL A 44 -2.629 -9.329 -3.066 1.00 0.00 N ATOM 712 CA VAL A 44 -1.245 -9.374 -2.700 1.00 0.00 C ATOM 713 C VAL A 44 -0.381 -9.434 -3.955 1.00 0.00 C ATOM 714 O VAL A 44 0.710 -8.913 -3.966 1.00 0.00 O ATOM 715 CB VAL A 44 -0.905 -10.535 -1.708 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.878 -11.906 -2.367 1.00 0.00 C ATOM 717 CG2 VAL A 44 0.373 -10.252 -0.940 1.00 0.00 C ATOM 0 H VAL A 44 -3.145 -10.193 -2.900 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.022 -8.456 -2.156 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.726 -10.570 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.636 -12.663 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.855 -12.121 -2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.123 -11.917 -3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.580 -11.079 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.201 -10.142 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.257 -9.332 -0.368 1.00 0.00 H new ATOM 727 N ALA A 45 -0.906 -10.049 -5.020 1.00 0.00 N ATOM 728 CA ALA A 45 -0.213 -10.091 -6.308 1.00 0.00 C ATOM 729 C ALA A 45 -0.030 -8.661 -6.812 1.00 0.00 C ATOM 730 O ALA A 45 1.065 -8.256 -7.186 1.00 0.00 O ATOM 731 CB ALA A 45 -1.008 -10.928 -7.317 1.00 0.00 C ATOM 0 H ALA A 45 -1.809 -10.524 -5.014 1.00 0.00 H new ATOM 0 HA ALA A 45 0.763 -10.560 -6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.479 -10.949 -8.270 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.117 -11.945 -6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.994 -10.486 -7.460 1.00 0.00 H new ATOM 737 N TYR A 46 -1.115 -7.894 -6.745 1.00 0.00 N ATOM 738 CA TYR A 46 -1.131 -6.467 -7.084 1.00 0.00 C ATOM 739 C TYR A 46 -0.166 -5.702 -6.206 1.00 0.00 C ATOM 740 O TYR A 46 0.610 -4.909 -6.687 1.00 0.00 O ATOM 741 CB TYR A 46 -2.576 -5.929 -6.927 1.00 0.00 C ATOM 742 CG TYR A 46 -2.743 -4.420 -6.709 1.00 0.00 C ATOM 743 CD1 TYR A 46 -2.741 -3.886 -5.418 1.00 0.00 C ATOM 744 CD2 TYR A 46 -2.932 -3.549 -7.763 1.00 0.00 C ATOM 745 CE1 TYR A 46 -2.915 -2.539 -5.193 1.00 0.00 C ATOM 746 CE2 TYR A 46 -3.115 -2.196 -7.538 1.00 0.00 C ATOM 747 CZ TYR A 46 -3.105 -1.699 -6.256 1.00 0.00 C ATOM 748 OH TYR A 46 -3.297 -0.346 -6.044 1.00 0.00 O ATOM 0 H TYR A 46 -2.024 -8.249 -6.449 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.810 -6.331 -8.117 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.138 -6.206 -7.819 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.039 -6.445 -6.086 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.599 -4.546 -4.575 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.937 -3.928 -8.774 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.902 -2.149 -4.186 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.266 -1.528 -8.373 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.741 0.047 -6.824 1.00 0.00 H new ATOM 758 N ALA A 47 -0.212 -5.956 -4.934 1.00 0.00 N ATOM 759 CA ALA A 47 0.638 -5.269 -4.005 1.00 0.00 C ATOM 760 C ALA A 47 2.118 -5.574 -4.277 1.00 0.00 C ATOM 761 O ALA A 47 2.937 -4.669 -4.326 1.00 0.00 O ATOM 762 CB ALA A 47 0.238 -5.612 -2.593 1.00 0.00 C ATOM 0 H ALA A 47 -0.836 -6.642 -4.510 1.00 0.00 H new ATOM 0 HA ALA A 47 0.512 -4.194 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.888 -5.087 -1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.796 -5.311 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.332 -6.687 -2.439 1.00 0.00 H new ATOM 768 N LYS A 48 2.430 -6.842 -4.503 1.00 0.00 N ATOM 769 CA LYS A 48 3.788 -7.283 -4.811 1.00 0.00 C ATOM 770 C LYS A 48 4.285 -6.708 -6.126 1.00 0.00 C ATOM 771 O LYS A 48 5.439 -6.278 -6.224 1.00 0.00 O ATOM 772 CB LYS A 48 3.845 -8.800 -4.877 1.00 0.00 C ATOM 773 CG LYS A 48 3.687 -9.494 -3.541 1.00 0.00 C ATOM 774 CD LYS A 48 3.516 -10.988 -3.728 1.00 0.00 C ATOM 775 CE LYS A 48 3.528 -11.731 -2.401 1.00 0.00 C ATOM 776 NZ LYS A 48 4.777 -11.518 -1.630 1.00 0.00 N ATOM 0 H LYS A 48 1.747 -7.599 -4.478 1.00 0.00 H new ATOM 0 HA LYS A 48 4.434 -6.919 -4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.062 -9.151 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.798 -9.096 -5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.560 -9.298 -2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.823 -9.088 -3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.577 -11.184 -4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.315 -11.368 -4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.677 -11.407 -1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.399 -12.797 -2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.844 -12.230 -0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.596 -11.608 -2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.768 -10.567 -1.210 1.00 0.00 H new ATOM 790 N LYS A 49 3.428 -6.707 -7.133 1.00 0.00 N ATOM 791 CA LYS A 49 3.805 -6.206 -8.441 1.00 0.00 C ATOM 792 C LYS A 49 4.028 -4.688 -8.385 1.00 0.00 C ATOM 793 O LYS A 49 4.982 -4.165 -8.965 1.00 0.00 O ATOM 794 CB LYS A 49 2.749 -6.584 -9.508 1.00 0.00 C ATOM 795 CG LYS A 49 1.448 -5.891 -9.392 1.00 0.00 C ATOM 796 CD LYS A 49 0.587 -6.191 -10.581 1.00 0.00 C ATOM 797 CE LYS A 49 -0.479 -5.149 -10.747 1.00 0.00 C ATOM 798 NZ LYS A 49 -1.062 -5.216 -12.090 1.00 0.00 N ATOM 0 H LYS A 49 2.469 -7.047 -7.069 1.00 0.00 H new ATOM 0 HA LYS A 49 4.744 -6.676 -8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.164 -6.376 -10.494 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.574 -7.659 -9.456 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.941 -6.206 -8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.608 -4.816 -9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.203 -6.233 -11.479 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.127 -7.172 -10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.258 -5.296 -9.999 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.057 -4.159 -10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.575 -4.334 -12.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.305 -5.343 -12.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.721 -6.019 -12.143 1.00 0.00 H new ATOM 812 N VAL A 50 3.161 -4.005 -7.640 1.00 0.00 N ATOM 813 CA VAL A 50 3.247 -2.574 -7.444 1.00 0.00 C ATOM 814 C VAL A 50 4.530 -2.228 -6.699 1.00 0.00 C ATOM 815 O VAL A 50 5.324 -1.401 -7.168 1.00 0.00 O ATOM 816 CB VAL A 50 1.971 -2.039 -6.704 1.00 0.00 C ATOM 817 CG1 VAL A 50 2.154 -0.636 -6.171 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.792 -2.048 -7.657 1.00 0.00 C ATOM 0 H VAL A 50 2.376 -4.440 -7.155 1.00 0.00 H new ATOM 0 HA VAL A 50 3.283 -2.079 -8.414 1.00 0.00 H new ATOM 0 HB VAL A 50 1.793 -2.699 -5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.241 -0.316 -5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.982 -0.621 -5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.370 0.042 -6.997 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.094 -1.676 -7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.010 -1.408 -8.512 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.611 -3.066 -8.002 1.00 0.00 H new ATOM 828 N GLU A 51 4.751 -2.923 -5.586 1.00 0.00 N ATOM 829 CA GLU A 51 5.938 -2.757 -4.756 1.00 0.00 C ATOM 830 C GLU A 51 7.177 -2.978 -5.605 1.00 0.00 C ATOM 831 O GLU A 51 8.069 -2.144 -5.630 1.00 0.00 O ATOM 832 CB GLU A 51 5.858 -3.759 -3.580 1.00 0.00 C ATOM 833 CG GLU A 51 6.941 -3.674 -2.493 1.00 0.00 C ATOM 834 CD GLU A 51 8.299 -4.269 -2.876 1.00 0.00 C ATOM 835 OE1 GLU A 51 8.345 -5.286 -3.602 1.00 0.00 O ATOM 836 OE2 GLU A 51 9.328 -3.760 -2.427 1.00 0.00 O ATOM 0 H GLU A 51 4.102 -3.626 -5.232 1.00 0.00 H new ATOM 0 HA GLU A 51 5.993 -1.748 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.889 -3.633 -3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.879 -4.766 -3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.084 -2.627 -2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.578 -4.184 -1.601 1.00 0.00 H new ATOM 843 N GLY A 52 7.171 -4.069 -6.358 1.00 0.00 N ATOM 844 CA GLY A 52 8.281 -4.427 -7.206 1.00 0.00 C ATOM 845 C GLY A 52 8.608 -3.369 -8.230 1.00 0.00 C ATOM 846 O GLY A 52 9.779 -3.065 -8.450 1.00 0.00 O ATOM 0 H GLY A 52 6.392 -4.726 -6.393 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.160 -4.609 -6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.053 -5.362 -7.718 1.00 0.00 H new ATOM 850 N ASP A 53 7.574 -2.793 -8.832 1.00 0.00 N ATOM 851 CA ASP A 53 7.729 -1.748 -9.854 1.00 0.00 C ATOM 852 C ASP A 53 8.461 -0.545 -9.265 1.00 0.00 C ATOM 853 O ASP A 53 9.520 -0.127 -9.759 1.00 0.00 O ATOM 854 CB ASP A 53 6.349 -1.303 -10.365 1.00 0.00 C ATOM 855 CG ASP A 53 6.419 -0.399 -11.583 1.00 0.00 C ATOM 856 OD1 ASP A 53 6.735 0.807 -11.451 1.00 0.00 O ATOM 857 OD2 ASP A 53 6.127 -0.876 -12.700 1.00 0.00 O ATOM 0 H ASP A 53 6.603 -3.032 -8.630 1.00 0.00 H new ATOM 0 HA ASP A 53 8.309 -2.154 -10.683 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.759 -2.186 -10.611 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.824 -0.781 -9.564 1.00 0.00 H new ATOM 862 N MET A 54 7.928 -0.038 -8.166 1.00 0.00 N ATOM 863 CA MET A 54 8.510 1.127 -7.490 1.00 0.00 C ATOM 864 C MET A 54 9.859 0.841 -6.864 1.00 0.00 C ATOM 865 O MET A 54 10.733 1.718 -6.825 1.00 0.00 O ATOM 866 CB MET A 54 7.529 1.807 -6.516 1.00 0.00 C ATOM 867 CG MET A 54 6.672 0.901 -5.688 1.00 0.00 C ATOM 868 SD MET A 54 4.988 1.561 -5.541 1.00 0.00 S ATOM 869 CE MET A 54 4.514 1.728 -7.270 1.00 0.00 C ATOM 0 H MET A 54 7.092 -0.410 -7.716 1.00 0.00 H new ATOM 0 HA MET A 54 8.702 1.856 -8.277 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.103 2.443 -5.842 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.875 2.462 -7.092 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.640 -0.090 -6.140 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.110 0.785 -4.696 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.428 1.775 -7.347 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.946 2.641 -7.679 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.881 0.869 -7.832 1.00 0.00 H new ATOM 879 N TYR A 55 10.048 -0.384 -6.432 1.00 0.00 N ATOM 880 CA TYR A 55 11.300 -0.829 -5.871 1.00 0.00 C ATOM 881 C TYR A 55 12.369 -0.836 -6.981 1.00 0.00 C ATOM 882 O TYR A 55 13.509 -0.530 -6.755 1.00 0.00 O ATOM 883 CB TYR A 55 11.098 -2.239 -5.311 1.00 0.00 C ATOM 884 CG TYR A 55 12.236 -2.794 -4.514 1.00 0.00 C ATOM 885 CD1 TYR A 55 12.309 -2.585 -3.148 1.00 0.00 C ATOM 886 CD2 TYR A 55 13.219 -3.550 -5.119 1.00 0.00 C ATOM 887 CE1 TYR A 55 13.330 -3.114 -2.406 1.00 0.00 C ATOM 888 CE2 TYR A 55 14.253 -4.081 -4.385 1.00 0.00 C ATOM 889 CZ TYR A 55 14.300 -3.861 -3.026 1.00 0.00 C ATOM 890 OH TYR A 55 15.316 -4.394 -2.291 1.00 0.00 O ATOM 0 H TYR A 55 9.329 -1.106 -6.461 1.00 0.00 H new ATOM 0 HA TYR A 55 11.629 -0.165 -5.072 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.207 -2.235 -4.683 1.00 0.00 H new ATOM 0 HB3 TYR A 55 10.899 -2.914 -6.143 1.00 0.00 H new ATOM 0 HD1 TYR A 55 11.548 -1.995 -2.660 1.00 0.00 H new ATOM 0 HD2 TYR A 55 13.176 -3.727 -6.184 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.372 -2.945 -1.340 1.00 0.00 H new ATOM 0 HE2 TYR A 55 15.021 -4.665 -4.869 1.00 0.00 H new ATOM 0 HH TYR A 55 15.305 -5.370 -2.377 1.00 0.00 H new ATOM 900 N GLU A 56 11.979 -1.177 -8.193 1.00 0.00 N ATOM 901 CA GLU A 56 12.919 -1.155 -9.300 1.00 0.00 C ATOM 902 C GLU A 56 13.079 0.248 -9.878 1.00 0.00 C ATOM 903 O GLU A 56 14.064 0.536 -10.532 1.00 0.00 O ATOM 904 CB GLU A 56 12.529 -2.136 -10.396 1.00 0.00 C ATOM 905 CG GLU A 56 12.583 -3.582 -9.975 1.00 0.00 C ATOM 906 CD GLU A 56 12.260 -4.521 -11.113 1.00 0.00 C ATOM 907 OE1 GLU A 56 13.187 -4.907 -11.853 1.00 0.00 O ATOM 908 OE2 GLU A 56 11.083 -4.900 -11.289 1.00 0.00 O ATOM 0 H GLU A 56 11.032 -1.469 -8.436 1.00 0.00 H new ATOM 0 HA GLU A 56 13.881 -1.468 -8.894 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.519 -1.904 -10.733 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.191 -1.992 -11.250 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.577 -3.809 -9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.879 -3.747 -9.159 1.00 0.00 H new ATOM 915 N SER A 57 12.117 1.100 -9.631 1.00 0.00 N ATOM 916 CA SER A 57 12.125 2.452 -10.154 1.00 0.00 C ATOM 917 C SER A 57 13.020 3.403 -9.318 1.00 0.00 C ATOM 918 O SER A 57 13.880 4.098 -9.871 1.00 0.00 O ATOM 919 CB SER A 57 10.681 2.979 -10.230 1.00 0.00 C ATOM 920 OG SER A 57 10.605 4.265 -10.826 1.00 0.00 O ATOM 0 H SER A 57 11.301 0.880 -9.060 1.00 0.00 H new ATOM 0 HA SER A 57 12.556 2.425 -11.155 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.072 2.280 -10.802 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.259 3.021 -9.226 1.00 0.00 H new ATOM 0 HG SER A 57 9.670 4.558 -10.854 1.00 0.00 H new ATOM 926 N ALA A 58 12.848 3.390 -7.997 1.00 0.00 N ATOM 927 CA ALA A 58 13.540 4.328 -7.096 1.00 0.00 C ATOM 928 C ALA A 58 15.059 4.138 -7.058 1.00 0.00 C ATOM 929 O ALA A 58 15.597 3.109 -7.509 1.00 0.00 O ATOM 930 CB ALA A 58 12.978 4.217 -5.704 1.00 0.00 C ATOM 0 H ALA A 58 12.230 2.735 -7.517 1.00 0.00 H new ATOM 0 HA ALA A 58 13.362 5.325 -7.500 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.496 4.914 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.915 4.456 -5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.116 3.200 -5.336 1.00 0.00 H new ATOM 936 N ASN A 59 15.744 5.141 -6.527 1.00 0.00 N ATOM 937 CA ASN A 59 17.208 5.114 -6.406 1.00 0.00 C ATOM 938 C ASN A 59 17.608 4.796 -4.963 1.00 0.00 C ATOM 939 O ASN A 59 18.788 4.642 -4.646 1.00 0.00 O ATOM 940 CB ASN A 59 17.825 6.477 -6.834 1.00 0.00 C ATOM 941 CG ASN A 59 17.949 7.507 -5.696 1.00 0.00 C ATOM 942 OD1 ASN A 59 18.993 7.607 -5.054 1.00 0.00 O ATOM 943 ND2 ASN A 59 16.903 8.235 -5.418 1.00 0.00 N ATOM 0 H ASN A 59 15.312 5.993 -6.169 1.00 0.00 H new ATOM 0 HA ASN A 59 17.591 4.337 -7.068 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.815 6.298 -7.254 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.214 6.904 -7.629 1.00 0.00 H new ATOM 0 HD21 ASN A 59 16.939 8.907 -4.652 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.049 8.132 -5.967 1.00 0.00 H new ATOM 950 N SER A 60 16.621 4.711 -4.096 1.00 0.00 N ATOM 951 CA SER A 60 16.821 4.420 -2.685 1.00 0.00 C ATOM 952 C SER A 60 15.528 3.865 -2.123 1.00 0.00 C ATOM 953 O SER A 60 14.454 4.162 -2.663 1.00 0.00 O ATOM 954 CB SER A 60 17.189 5.705 -1.932 1.00 0.00 C ATOM 955 OG SER A 60 18.378 6.276 -2.429 1.00 0.00 O ATOM 0 H SER A 60 15.642 4.843 -4.351 1.00 0.00 H new ATOM 0 HA SER A 60 17.629 3.698 -2.568 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.375 6.424 -2.020 1.00 0.00 H new ATOM 0 HB3 SER A 60 17.307 5.485 -0.871 1.00 0.00 H new ATOM 0 HG SER A 60 18.582 7.093 -1.929 1.00 0.00 H new ATOM 961 N ARG A 61 15.606 3.058 -1.046 1.00 0.00 N ATOM 962 CA ARG A 61 14.370 2.520 -0.438 1.00 0.00 C ATOM 963 C ARG A 61 13.526 3.632 0.106 1.00 0.00 C ATOM 964 O ARG A 61 12.335 3.561 0.047 1.00 0.00 O ATOM 965 CB ARG A 61 14.538 1.408 0.659 1.00 0.00 C ATOM 966 CG ARG A 61 15.271 1.789 1.948 1.00 0.00 C ATOM 967 CD ARG A 61 16.687 2.208 1.717 1.00 0.00 C ATOM 968 NE ARG A 61 17.369 2.470 3.001 1.00 0.00 N ATOM 969 CZ ARG A 61 18.586 3.027 3.175 1.00 0.00 C ATOM 970 NH1 ARG A 61 19.341 3.356 2.141 1.00 0.00 N ATOM 971 NH2 ARG A 61 19.039 3.230 4.399 1.00 0.00 N ATOM 0 H ARG A 61 16.474 2.772 -0.593 1.00 0.00 H new ATOM 0 HA ARG A 61 13.884 2.010 -1.270 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.545 1.051 0.930 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.066 0.568 0.208 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.734 2.601 2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.257 0.940 2.631 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.218 1.429 1.170 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.710 3.105 1.098 1.00 0.00 H new ATOM 0 HE ARG A 61 16.866 2.201 3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 61 19.006 3.190 1.192 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.258 3.776 2.292 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.470 2.966 5.204 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.958 3.650 4.540 1.00 0.00 H new ATOM 985 N ASP A 62 14.178 4.682 0.600 1.00 0.00 N ATOM 986 CA ASP A 62 13.488 5.863 1.136 1.00 0.00 C ATOM 987 C ASP A 62 12.568 6.433 0.081 1.00 0.00 C ATOM 988 O ASP A 62 11.398 6.674 0.321 1.00 0.00 O ATOM 989 CB ASP A 62 14.514 6.927 1.532 1.00 0.00 C ATOM 990 CG ASP A 62 13.869 8.196 2.041 1.00 0.00 C ATOM 991 OD1 ASP A 62 13.549 9.084 1.223 1.00 0.00 O ATOM 992 OD2 ASP A 62 13.678 8.323 3.275 1.00 0.00 O ATOM 0 H ASP A 62 15.195 4.743 0.642 1.00 0.00 H new ATOM 0 HA ASP A 62 12.909 5.570 2.012 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.171 6.524 2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.139 7.162 0.671 1.00 0.00 H new ATOM 997 N GLU A 63 13.106 6.574 -1.098 1.00 0.00 N ATOM 998 CA GLU A 63 12.388 7.093 -2.225 1.00 0.00 C ATOM 999 C GLU A 63 11.276 6.155 -2.665 1.00 0.00 C ATOM 1000 O GLU A 63 10.147 6.596 -2.892 1.00 0.00 O ATOM 1001 CB GLU A 63 13.355 7.371 -3.352 1.00 0.00 C ATOM 1002 CG GLU A 63 12.705 7.701 -4.667 1.00 0.00 C ATOM 1003 CD GLU A 63 13.684 8.259 -5.614 1.00 0.00 C ATOM 1004 OE1 GLU A 63 14.400 7.482 -6.274 1.00 0.00 O ATOM 1005 OE2 GLU A 63 13.791 9.489 -5.689 1.00 0.00 O ATOM 0 H GLU A 63 14.074 6.326 -1.305 1.00 0.00 H new ATOM 0 HA GLU A 63 11.908 8.027 -1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.001 8.200 -3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.996 6.500 -3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.256 6.803 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.898 8.417 -4.509 1.00 0.00 H new ATOM 1012 N TYR A 64 11.583 4.863 -2.743 1.00 0.00 N ATOM 1013 CA TYR A 64 10.614 3.879 -3.179 1.00 0.00 C ATOM 1014 C TYR A 64 9.453 3.830 -2.192 1.00 0.00 C ATOM 1015 O TYR A 64 8.296 3.805 -2.580 1.00 0.00 O ATOM 1016 CB TYR A 64 11.306 2.491 -3.396 1.00 0.00 C ATOM 1017 CG TYR A 64 10.725 1.330 -2.638 1.00 0.00 C ATOM 1018 CD1 TYR A 64 9.654 0.619 -3.141 1.00 0.00 C ATOM 1019 CD2 TYR A 64 11.232 0.970 -1.400 1.00 0.00 C ATOM 1020 CE1 TYR A 64 9.110 -0.419 -2.441 1.00 0.00 C ATOM 1021 CE2 TYR A 64 10.683 -0.069 -0.687 1.00 0.00 C ATOM 1022 CZ TYR A 64 9.623 -0.758 -1.218 1.00 0.00 C ATOM 1023 OH TYR A 64 9.081 -1.793 -0.537 1.00 0.00 O ATOM 0 H TYR A 64 12.498 4.479 -2.508 1.00 0.00 H new ATOM 0 HA TYR A 64 10.197 4.164 -4.145 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.274 2.255 -4.460 1.00 0.00 H new ATOM 0 HB3 TYR A 64 12.357 2.586 -3.123 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.241 0.888 -4.102 1.00 0.00 H new ATOM 0 HD2 TYR A 64 12.070 1.513 -0.989 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.277 -0.971 -2.851 1.00 0.00 H new ATOM 0 HE2 TYR A 64 11.082 -0.339 0.280 1.00 0.00 H new ATOM 0 HH TYR A 64 9.022 -2.576 -1.124 1.00 0.00 H new ATOM 1033 N TYR A 65 9.806 3.901 -0.929 1.00 0.00 N ATOM 1034 CA TYR A 65 8.887 3.879 0.173 1.00 0.00 C ATOM 1035 C TYR A 65 7.978 5.080 0.121 1.00 0.00 C ATOM 1036 O TYR A 65 6.774 4.947 0.196 1.00 0.00 O ATOM 1037 CB TYR A 65 9.711 3.929 1.442 1.00 0.00 C ATOM 1038 CG TYR A 65 8.961 3.854 2.728 1.00 0.00 C ATOM 1039 CD1 TYR A 65 7.830 3.107 2.855 1.00 0.00 C ATOM 1040 CD2 TYR A 65 9.444 4.487 3.834 1.00 0.00 C ATOM 1041 CE1 TYR A 65 7.200 3.015 4.047 1.00 0.00 C ATOM 1042 CE2 TYR A 65 8.854 4.384 5.032 1.00 0.00 C ATOM 1043 CZ TYR A 65 7.732 3.657 5.152 1.00 0.00 C ATOM 1044 OH TYR A 65 7.165 3.530 6.377 1.00 0.00 O ATOM 0 H TYR A 65 10.780 3.979 -0.636 1.00 0.00 H new ATOM 0 HA TYR A 65 8.270 2.982 0.135 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.426 3.107 1.416 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.288 4.854 1.437 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.433 2.584 1.997 1.00 0.00 H new ATOM 0 HD2 TYR A 65 10.333 5.093 3.741 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.287 2.444 4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.277 4.881 5.893 1.00 0.00 H new ATOM 0 HH TYR A 65 7.282 4.363 6.880 1.00 0.00 H new ATOM 1054 N HIS A 66 8.566 6.239 -0.060 1.00 0.00 N ATOM 1055 CA HIS A 66 7.818 7.474 -0.082 1.00 0.00 C ATOM 1056 C HIS A 66 6.900 7.586 -1.276 1.00 0.00 C ATOM 1057 O HIS A 66 5.749 7.929 -1.119 1.00 0.00 O ATOM 1058 CB HIS A 66 8.723 8.701 0.059 1.00 0.00 C ATOM 1059 CG HIS A 66 9.169 8.957 1.482 1.00 0.00 C ATOM 1060 ND1 HIS A 66 10.461 8.822 1.931 1.00 0.00 N ATOM 1061 CD2 HIS A 66 8.452 9.375 2.557 1.00 0.00 C ATOM 1062 CE1 HIS A 66 10.491 9.150 3.224 1.00 0.00 C ATOM 1063 NE2 HIS A 66 9.293 9.498 3.658 1.00 0.00 N ATOM 0 H HIS A 66 9.571 6.353 -0.195 1.00 0.00 H new ATOM 0 HA HIS A 66 7.173 7.448 0.797 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.602 8.569 -0.572 1.00 0.00 H new ATOM 0 HB3 HIS A 66 8.193 9.579 -0.312 1.00 0.00 H new ATOM 0 HD1 HIS A 66 11.260 8.522 1.372 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.392 9.580 2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 66 11.380 9.133 3.837 1.00 0.00 H new ATOM 1071 N LEU A 67 7.380 7.246 -2.459 1.00 0.00 N ATOM 1072 CA LEU A 67 6.537 7.364 -3.639 1.00 0.00 C ATOM 1073 C LEU A 67 5.412 6.307 -3.628 1.00 0.00 C ATOM 1074 O LEU A 67 4.294 6.549 -4.143 1.00 0.00 O ATOM 1075 CB LEU A 67 7.377 7.378 -4.956 1.00 0.00 C ATOM 1076 CG LEU A 67 8.146 6.103 -5.356 1.00 0.00 C ATOM 1077 CD1 LEU A 67 7.230 5.073 -5.963 1.00 0.00 C ATOM 1078 CD2 LEU A 67 9.282 6.413 -6.308 1.00 0.00 C ATOM 0 H LEU A 67 8.323 6.895 -2.629 1.00 0.00 H new ATOM 0 HA LEU A 67 6.040 8.333 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.703 7.629 -5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.100 8.190 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 67 8.569 5.690 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.806 4.188 -6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.461 4.799 -5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.759 5.486 -6.855 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.801 5.490 -6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.884 6.872 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.980 7.100 -5.830 1.00 0.00 H new ATOM 1090 N LEU A 68 5.689 5.149 -3.023 1.00 0.00 N ATOM 1091 CA LEU A 68 4.688 4.116 -2.919 1.00 0.00 C ATOM 1092 C LEU A 68 3.663 4.578 -1.894 1.00 0.00 C ATOM 1093 O LEU A 68 2.455 4.442 -2.109 1.00 0.00 O ATOM 1094 CB LEU A 68 5.333 2.725 -2.571 1.00 0.00 C ATOM 1095 CG LEU A 68 5.468 2.284 -1.111 1.00 0.00 C ATOM 1096 CD1 LEU A 68 4.162 1.683 -0.632 1.00 0.00 C ATOM 1097 CD2 LEU A 68 6.577 1.276 -0.972 1.00 0.00 C ATOM 0 H LEU A 68 6.591 4.917 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 68 4.188 3.959 -3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.752 1.961 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.332 2.714 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 68 5.707 3.155 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.265 1.371 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.369 2.426 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.912 0.819 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.663 0.971 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.356 0.405 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.517 1.722 -1.298 1.00 0.00 H new ATOM 1109 N ALA A 69 4.168 5.180 -0.795 1.00 0.00 N ATOM 1110 CA ALA A 69 3.354 5.751 0.246 1.00 0.00 C ATOM 1111 C ALA A 69 2.425 6.827 -0.297 1.00 0.00 C ATOM 1112 O ALA A 69 1.312 6.959 0.167 1.00 0.00 O ATOM 1113 CB ALA A 69 4.237 6.309 1.332 1.00 0.00 C ATOM 0 H ALA A 69 5.169 5.273 -0.625 1.00 0.00 H new ATOM 0 HA ALA A 69 2.727 4.962 0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.618 6.741 2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.849 5.510 1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.883 7.081 0.915 1.00 0.00 H new ATOM 1119 N GLU A 70 2.888 7.575 -1.279 1.00 0.00 N ATOM 1120 CA GLU A 70 2.082 8.605 -1.931 1.00 0.00 C ATOM 1121 C GLU A 70 0.970 7.981 -2.779 1.00 0.00 C ATOM 1122 O GLU A 70 -0.183 8.440 -2.761 1.00 0.00 O ATOM 1123 CB GLU A 70 2.960 9.477 -2.812 1.00 0.00 C ATOM 1124 CG GLU A 70 4.026 10.238 -2.055 1.00 0.00 C ATOM 1125 CD GLU A 70 3.465 11.275 -1.107 1.00 0.00 C ATOM 1126 OE1 GLU A 70 3.013 12.351 -1.573 1.00 0.00 O ATOM 1127 OE2 GLU A 70 3.495 11.054 0.112 1.00 0.00 O ATOM 0 H GLU A 70 3.833 7.491 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 70 1.625 9.215 -1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.440 8.850 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.330 10.188 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.634 9.532 -1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.688 10.729 -2.769 1.00 0.00 H new ATOM 1134 N LYS A 71 1.297 6.932 -3.515 1.00 0.00 N ATOM 1135 CA LYS A 71 0.295 6.298 -4.356 1.00 0.00 C ATOM 1136 C LYS A 71 -0.723 5.540 -3.506 1.00 0.00 C ATOM 1137 O LYS A 71 -1.933 5.602 -3.755 1.00 0.00 O ATOM 1138 CB LYS A 71 0.955 5.458 -5.493 1.00 0.00 C ATOM 1139 CG LYS A 71 0.869 3.921 -5.453 1.00 0.00 C ATOM 1140 CD LYS A 71 -0.499 3.398 -5.928 1.00 0.00 C ATOM 1141 CE LYS A 71 -0.392 1.969 -6.435 1.00 0.00 C ATOM 1142 NZ LYS A 71 -1.642 1.478 -7.062 1.00 0.00 N ATOM 0 H LYS A 71 2.225 6.509 -3.549 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.277 7.066 -4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.516 5.784 -6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.011 5.725 -5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.654 3.499 -6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.054 3.576 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.214 3.443 -5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.882 4.041 -6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.419 1.907 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.128 1.314 -5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.413 0.756 -7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.256 1.062 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.136 2.271 -7.519 1.00 0.00 H new ATOM 1156 N ILE A 72 -0.257 4.885 -2.468 1.00 0.00 N ATOM 1157 CA ILE A 72 -1.160 4.181 -1.599 1.00 0.00 C ATOM 1158 C ILE A 72 -2.046 5.210 -0.854 1.00 0.00 C ATOM 1159 O ILE A 72 -3.228 4.987 -0.641 1.00 0.00 O ATOM 1160 CB ILE A 72 -0.415 3.219 -0.619 1.00 0.00 C ATOM 1161 CG1 ILE A 72 -1.388 2.325 0.088 1.00 0.00 C ATOM 1162 CG2 ILE A 72 0.440 3.940 0.382 1.00 0.00 C ATOM 1163 CD1 ILE A 72 -0.778 1.533 1.231 1.00 0.00 C ATOM 0 H ILE A 72 0.728 4.827 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.799 3.536 -2.203 1.00 0.00 H new ATOM 0 HB ILE A 72 0.255 2.618 -1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.207 2.931 0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.818 1.630 -0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.929 3.215 1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.196 4.527 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.183 4.603 0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.545 0.910 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.022 0.899 0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.373 2.220 1.974 1.00 0.00 H new ATOM 1175 N TYR A 73 -1.447 6.361 -0.544 1.00 0.00 N ATOM 1176 CA TYR A 73 -2.116 7.518 0.044 1.00 0.00 C ATOM 1177 C TYR A 73 -3.324 7.928 -0.794 1.00 0.00 C ATOM 1178 O TYR A 73 -4.449 8.080 -0.252 1.00 0.00 O ATOM 1179 CB TYR A 73 -1.077 8.673 0.154 1.00 0.00 C ATOM 1180 CG TYR A 73 -1.578 10.107 0.284 1.00 0.00 C ATOM 1181 CD1 TYR A 73 -1.970 10.820 -0.843 1.00 0.00 C ATOM 1182 CD2 TYR A 73 -1.612 10.755 1.500 1.00 0.00 C ATOM 1183 CE1 TYR A 73 -2.390 12.129 -0.758 1.00 0.00 C ATOM 1184 CE2 TYR A 73 -2.035 12.067 1.595 1.00 0.00 C ATOM 1185 CZ TYR A 73 -2.423 12.747 0.464 1.00 0.00 C ATOM 1186 OH TYR A 73 -2.855 14.047 0.559 1.00 0.00 O ATOM 0 H TYR A 73 -0.451 6.516 -0.701 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.492 7.272 1.037 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.445 8.466 1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.438 8.626 -0.728 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.945 10.336 -1.808 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.303 10.230 2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.691 12.663 -1.647 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.061 12.558 2.556 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.818 14.336 1.495 1.00 0.00 H new ATOM 1196 N LYS A 74 -3.108 8.090 -2.102 1.00 0.00 N ATOM 1197 CA LYS A 74 -4.164 8.544 -2.991 1.00 0.00 C ATOM 1198 C LYS A 74 -5.265 7.500 -3.098 1.00 0.00 C ATOM 1199 O LYS A 74 -6.429 7.849 -3.223 1.00 0.00 O ATOM 1200 CB LYS A 74 -3.640 8.924 -4.389 1.00 0.00 C ATOM 1201 CG LYS A 74 -3.342 7.752 -5.306 1.00 0.00 C ATOM 1202 CD LYS A 74 -2.884 8.193 -6.685 1.00 0.00 C ATOM 1203 CE LYS A 74 -1.589 8.982 -6.639 1.00 0.00 C ATOM 1204 NZ LYS A 74 -1.138 9.383 -7.982 1.00 0.00 N ATOM 0 H LYS A 74 -2.214 7.913 -2.561 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.578 9.451 -2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.376 9.566 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.731 9.513 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.572 7.128 -4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.235 7.135 -5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.750 7.316 -7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.662 8.802 -7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.728 9.871 -6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.815 8.381 -6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.250 9.919 -7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.980 8.535 -8.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.864 9.978 -8.429 1.00 0.00 H new ATOM 1218 N ILE A 75 -4.891 6.216 -3.030 1.00 0.00 N ATOM 1219 CA ILE A 75 -5.868 5.138 -3.058 1.00 0.00 C ATOM 1220 C ILE A 75 -6.774 5.232 -1.835 1.00 0.00 C ATOM 1221 O ILE A 75 -8.005 5.191 -1.954 1.00 0.00 O ATOM 1222 CB ILE A 75 -5.179 3.714 -3.154 1.00 0.00 C ATOM 1223 CG1 ILE A 75 -4.976 3.260 -4.621 1.00 0.00 C ATOM 1224 CG2 ILE A 75 -5.944 2.642 -2.378 1.00 0.00 C ATOM 1225 CD1 ILE A 75 -4.141 4.175 -5.493 1.00 0.00 C ATOM 0 H ILE A 75 -3.922 5.907 -2.956 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.473 5.252 -3.957 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.199 3.831 -2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.511 2.274 -4.614 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.956 3.146 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.430 1.686 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.994 2.921 -1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.954 2.554 -2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.068 3.755 -6.496 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.611 5.157 -5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.142 4.272 -5.067 1.00 0.00 H new ATOM 1237 N GLN A 76 -6.151 5.451 -0.681 1.00 0.00 N ATOM 1238 CA GLN A 76 -6.860 5.495 0.585 1.00 0.00 C ATOM 1239 C GLN A 76 -7.899 6.567 0.601 1.00 0.00 C ATOM 1240 O GLN A 76 -9.034 6.332 0.973 1.00 0.00 O ATOM 1241 CB GLN A 76 -5.902 5.670 1.753 1.00 0.00 C ATOM 1242 CG GLN A 76 -4.905 4.548 1.815 1.00 0.00 C ATOM 1243 CD GLN A 76 -4.182 4.445 3.128 1.00 0.00 C ATOM 1244 OE1 GLN A 76 -4.711 4.793 4.171 1.00 0.00 O ATOM 1245 NE2 GLN A 76 -2.970 3.955 3.089 1.00 0.00 N ATOM 0 H GLN A 76 -5.145 5.602 -0.601 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.365 4.535 0.697 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.377 6.620 1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.465 5.710 2.685 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.420 3.607 1.621 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.173 4.682 1.018 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.562 3.675 2.197 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.433 3.853 3.950 1.00 0.00 H new ATOM 1254 N LYS A 77 -7.528 7.724 0.159 1.00 0.00 N ATOM 1255 CA LYS A 77 -8.454 8.820 0.162 1.00 0.00 C ATOM 1256 C LYS A 77 -9.445 8.798 -0.969 1.00 0.00 C ATOM 1257 O LYS A 77 -10.528 9.327 -0.820 1.00 0.00 O ATOM 1258 CB LYS A 77 -7.764 10.128 0.335 1.00 0.00 C ATOM 1259 CG LYS A 77 -6.583 10.314 -0.565 1.00 0.00 C ATOM 1260 CD LYS A 77 -5.685 11.374 -0.026 1.00 0.00 C ATOM 1261 CE LYS A 77 -5.379 11.185 1.483 1.00 0.00 C ATOM 1262 NZ LYS A 77 -5.035 9.806 1.888 1.00 0.00 N ATOM 0 H LYS A 77 -6.600 7.939 -0.207 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.077 8.681 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.478 10.931 0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.437 10.221 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.036 9.376 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.919 10.586 -1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.750 11.372 -0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.147 12.349 -0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.554 11.843 1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.247 11.509 2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.815 9.403 2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.878 9.224 1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.169 9.819 2.464 1.00 0.00 H new ATOM 1276 N GLU A 78 -9.078 8.184 -2.097 1.00 0.00 N ATOM 1277 CA GLU A 78 -10.000 8.047 -3.224 1.00 0.00 C ATOM 1278 C GLU A 78 -11.204 7.262 -2.742 1.00 0.00 C ATOM 1279 O GLU A 78 -12.347 7.652 -2.966 1.00 0.00 O ATOM 1280 CB GLU A 78 -9.343 7.283 -4.371 1.00 0.00 C ATOM 1281 CG GLU A 78 -10.047 7.416 -5.717 1.00 0.00 C ATOM 1282 CD GLU A 78 -10.113 8.844 -6.217 1.00 0.00 C ATOM 1283 OE1 GLU A 78 -9.079 9.540 -6.211 1.00 0.00 O ATOM 1284 OE2 GLU A 78 -11.183 9.271 -6.692 1.00 0.00 O ATOM 0 H GLU A 78 -8.156 7.777 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.285 9.035 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.316 7.631 -4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.296 6.227 -4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.527 6.804 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.059 7.021 -5.631 1.00 0.00 H new ATOM 1291 N LEU A 79 -10.939 6.168 -2.028 1.00 0.00 N ATOM 1292 CA LEU A 79 -12.006 5.373 -1.495 1.00 0.00 C ATOM 1293 C LEU A 79 -12.743 6.114 -0.393 1.00 0.00 C ATOM 1294 O LEU A 79 -13.964 6.090 -0.367 1.00 0.00 O ATOM 1295 CB LEU A 79 -11.539 3.965 -1.082 1.00 0.00 C ATOM 1296 CG LEU A 79 -10.485 3.836 0.015 1.00 0.00 C ATOM 1297 CD1 LEU A 79 -11.125 3.738 1.400 1.00 0.00 C ATOM 1298 CD2 LEU A 79 -9.594 2.648 -0.265 1.00 0.00 C ATOM 0 H LEU A 79 -10.001 5.828 -1.816 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.729 5.208 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.418 3.405 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.152 3.470 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.873 4.738 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.345 3.647 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.714 4.634 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.773 2.862 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.844 2.562 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.196 1.740 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.098 2.784 -1.226 1.00 0.00 H new ATOM 1310 N GLU A 80 -11.996 6.826 0.476 1.00 0.00 N ATOM 1311 CA GLU A 80 -12.593 7.633 1.557 1.00 0.00 C ATOM 1312 C GLU A 80 -13.598 8.636 0.994 1.00 0.00 C ATOM 1313 O GLU A 80 -14.775 8.672 1.409 1.00 0.00 O ATOM 1314 CB GLU A 80 -11.519 8.418 2.336 1.00 0.00 C ATOM 1315 CG GLU A 80 -10.606 7.611 3.250 1.00 0.00 C ATOM 1316 CD GLU A 80 -9.606 8.490 4.000 1.00 0.00 C ATOM 1317 OE1 GLU A 80 -8.559 8.873 3.422 1.00 0.00 O ATOM 1318 OE2 GLU A 80 -9.844 8.812 5.185 1.00 0.00 O ATOM 0 H GLU A 80 -10.977 6.857 0.449 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.093 6.935 2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.896 8.948 1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.022 9.174 2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.212 7.060 3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.064 6.873 2.658 1.00 0.00 H new ATOM 1325 N GLU A 81 -13.156 9.413 0.021 1.00 0.00 N ATOM 1326 CA GLU A 81 -13.976 10.452 -0.540 1.00 0.00 C ATOM 1327 C GLU A 81 -15.161 9.899 -1.294 1.00 0.00 C ATOM 1328 O GLU A 81 -16.245 10.442 -1.189 1.00 0.00 O ATOM 1329 CB GLU A 81 -13.194 11.426 -1.420 1.00 0.00 C ATOM 1330 CG GLU A 81 -12.566 10.817 -2.661 1.00 0.00 C ATOM 1331 CD GLU A 81 -12.048 11.863 -3.583 1.00 0.00 C ATOM 1332 OE1 GLU A 81 -12.842 12.389 -4.391 1.00 0.00 O ATOM 1333 OE2 GLU A 81 -10.871 12.249 -3.484 1.00 0.00 O ATOM 0 H GLU A 81 -12.227 9.337 -0.394 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.347 11.016 0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.863 12.229 -1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.406 11.880 -0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.752 10.153 -2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.304 10.206 -3.181 1.00 0.00 H new ATOM 1340 N LYS A 82 -14.974 8.813 -2.029 1.00 0.00 N ATOM 1341 CA LYS A 82 -16.069 8.263 -2.792 1.00 0.00 C ATOM 1342 C LYS A 82 -17.080 7.554 -1.885 1.00 0.00 C ATOM 1343 O LYS A 82 -18.282 7.566 -2.163 1.00 0.00 O ATOM 1344 CB LYS A 82 -15.584 7.397 -4.002 1.00 0.00 C ATOM 1345 CG LYS A 82 -14.943 6.049 -3.685 1.00 0.00 C ATOM 1346 CD LYS A 82 -15.997 4.969 -3.457 1.00 0.00 C ATOM 1347 CE LYS A 82 -15.370 3.624 -3.223 1.00 0.00 C ATOM 1348 NZ LYS A 82 -16.385 2.590 -2.912 1.00 0.00 N ATOM 0 H LYS A 82 -14.091 8.308 -2.109 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.605 9.096 -3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -16.439 7.219 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.866 7.986 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.289 5.754 -4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.318 6.142 -2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.614 5.237 -2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.658 4.917 -4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.807 3.326 -4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.658 3.693 -2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.913 1.676 -2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.905 2.861 -2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.050 2.506 -3.707 1.00 0.00 H new ATOM 1587 N THR B 110 0.471 11.835 7.909 1.00 0.00 N ATOM 1588 CA THR B 110 -0.234 10.878 8.727 1.00 0.00 C ATOM 1589 C THR B 110 -0.110 9.468 8.122 1.00 0.00 C ATOM 1590 O THR B 110 0.013 8.479 8.840 1.00 0.00 O ATOM 1591 CB THR B 110 -1.727 11.316 8.947 1.00 0.00 C ATOM 1592 OG1 THR B 110 -2.454 10.356 9.714 1.00 0.00 O ATOM 1593 CG2 THR B 110 -2.443 11.583 7.630 1.00 0.00 C ATOM 0 HA THR B 110 0.225 10.847 9.715 1.00 0.00 H new ATOM 0 HB THR B 110 -1.692 12.249 9.510 1.00 0.00 H new ATOM 0 HG1 THR B 110 -3.377 10.663 9.832 1.00 0.00 H new ATOM 0 HG21 THR B 110 -3.472 11.883 7.829 1.00 0.00 H new ATOM 0 HG22 THR B 110 -1.930 12.381 7.092 1.00 0.00 H new ATOM 0 HG23 THR B 110 -2.440 10.677 7.024 1.00 0.00 H new ATOM 1601 N LEU B 111 -0.050 9.402 6.797 1.00 0.00 N ATOM 1602 CA LEU B 111 0.138 8.143 6.104 1.00 0.00 C ATOM 1603 C LEU B 111 1.544 7.653 6.315 1.00 0.00 C ATOM 1604 O LEU B 111 1.766 6.472 6.573 1.00 0.00 O ATOM 1605 CB LEU B 111 -0.149 8.259 4.588 1.00 0.00 C ATOM 1606 CG LEU B 111 -1.614 8.188 4.119 1.00 0.00 C ATOM 1607 CD1 LEU B 111 -2.221 6.872 4.509 1.00 0.00 C ATOM 1608 CD2 LEU B 111 -2.452 9.323 4.655 1.00 0.00 C ATOM 0 H LEU B 111 -0.130 10.212 6.183 1.00 0.00 H new ATOM 0 HA LEU B 111 -0.576 7.432 6.520 1.00 0.00 H new ATOM 0 HB2 LEU B 111 0.266 9.205 4.242 1.00 0.00 H new ATOM 0 HB3 LEU B 111 0.402 7.465 4.083 1.00 0.00 H new ATOM 0 HG LEU B 111 -1.604 8.281 3.033 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -3.257 6.835 4.172 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -1.659 6.061 4.046 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -2.189 6.763 5.593 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -3.475 9.223 4.293 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -2.449 9.295 5.745 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -2.038 10.273 4.315 1.00 0.00 H new ATOM 1620 N GLN B 112 2.495 8.581 6.241 1.00 0.00 N ATOM 1621 CA GLN B 112 3.901 8.226 6.387 1.00 0.00 C ATOM 1622 C GLN B 112 4.163 7.780 7.823 1.00 0.00 C ATOM 1623 O GLN B 112 4.882 6.811 8.061 1.00 0.00 O ATOM 1624 CB GLN B 112 4.841 9.394 6.044 1.00 0.00 C ATOM 1625 CG GLN B 112 4.522 10.176 4.768 1.00 0.00 C ATOM 1626 CD GLN B 112 4.362 9.317 3.532 1.00 0.00 C ATOM 1627 OE1 GLN B 112 5.328 9.016 2.851 1.00 0.00 O ATOM 1628 NE2 GLN B 112 3.138 8.990 3.194 1.00 0.00 N ATOM 0 H GLN B 112 2.319 9.573 6.083 1.00 0.00 H new ATOM 0 HA GLN B 112 4.108 7.418 5.685 1.00 0.00 H new ATOM 0 HB2 GLN B 112 4.838 10.092 6.881 1.00 0.00 H new ATOM 0 HB3 GLN B 112 5.855 9.002 5.960 1.00 0.00 H new ATOM 0 HG2 GLN B 112 3.604 10.742 4.923 1.00 0.00 H new ATOM 0 HG3 GLN B 112 5.317 10.900 4.592 1.00 0.00 H new ATOM 0 HE21 GLN B 112 2.355 9.260 3.790 1.00 0.00 H new ATOM 0 HE22 GLN B 112 2.969 8.466 2.335 1.00 0.00 H new ATOM 1637 N ASP B 113 3.557 8.493 8.768 1.00 0.00 N ATOM 1638 CA ASP B 113 3.676 8.180 10.194 1.00 0.00 C ATOM 1639 C ASP B 113 3.146 6.802 10.506 1.00 0.00 C ATOM 1640 O ASP B 113 3.817 6.017 11.187 1.00 0.00 O ATOM 1641 CB ASP B 113 2.953 9.215 11.061 1.00 0.00 C ATOM 1642 CG ASP B 113 2.953 8.834 12.530 1.00 0.00 C ATOM 1643 OD1 ASP B 113 3.996 8.975 13.194 1.00 0.00 O ATOM 1644 OD2 ASP B 113 1.906 8.370 13.040 1.00 0.00 O ATOM 0 H ASP B 113 2.970 9.303 8.570 1.00 0.00 H new ATOM 0 HA ASP B 113 4.740 8.208 10.430 1.00 0.00 H new ATOM 0 HB2 ASP B 113 3.432 10.186 10.940 1.00 0.00 H new ATOM 0 HB3 ASP B 113 1.925 9.321 10.715 1.00 0.00 H new ATOM 1649 N LEU B 114 1.947 6.506 9.994 1.00 0.00 N ATOM 1650 CA LEU B 114 1.301 5.211 10.189 1.00 0.00 C ATOM 1651 C LEU B 114 2.242 4.116 9.711 1.00 0.00 C ATOM 1652 O LEU B 114 2.520 3.143 10.455 1.00 0.00 O ATOM 1653 CB LEU B 114 -0.054 5.184 9.415 1.00 0.00 C ATOM 1654 CG LEU B 114 -1.045 4.004 9.662 1.00 0.00 C ATOM 1655 CD1 LEU B 114 -2.388 4.329 9.031 1.00 0.00 C ATOM 1656 CD2 LEU B 114 -0.540 2.682 9.079 1.00 0.00 C ATOM 0 H LEU B 114 1.400 7.159 9.433 1.00 0.00 H new ATOM 0 HA LEU B 114 1.085 5.044 11.244 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -0.582 6.110 9.644 1.00 0.00 H new ATOM 0 HB3 LEU B 114 0.176 5.203 8.350 1.00 0.00 H new ATOM 0 HG LEU B 114 -1.136 3.884 10.741 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -3.080 3.505 9.204 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -2.789 5.239 9.477 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -2.260 4.477 7.959 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -1.267 1.895 9.279 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -0.406 2.787 8.002 1.00 0.00 H new ATOM 0 HD23 LEU B 114 0.413 2.421 9.540 1.00 0.00 H new ATOM 1668 N LEU B 115 2.757 4.303 8.493 1.00 0.00 N ATOM 1669 CA LEU B 115 3.688 3.375 7.887 1.00 0.00 C ATOM 1670 C LEU B 115 4.899 3.153 8.766 1.00 0.00 C ATOM 1671 O LEU B 115 5.051 2.107 9.354 1.00 0.00 O ATOM 1672 CB LEU B 115 4.248 3.940 6.597 1.00 0.00 C ATOM 1673 CG LEU B 115 3.424 4.003 5.345 1.00 0.00 C ATOM 1674 CD1 LEU B 115 4.278 4.662 4.265 1.00 0.00 C ATOM 1675 CD2 LEU B 115 2.983 2.611 4.907 1.00 0.00 C ATOM 0 H LEU B 115 2.533 5.107 7.906 1.00 0.00 H new ATOM 0 HA LEU B 115 3.128 2.453 7.729 1.00 0.00 H new ATOM 0 HB2 LEU B 115 4.575 4.957 6.812 1.00 0.00 H new ATOM 0 HB3 LEU B 115 5.141 3.362 6.360 1.00 0.00 H new ATOM 0 HG LEU B 115 2.518 4.582 5.522 1.00 0.00 H new ATOM 0 HD11 LEU B 115 3.708 4.724 3.338 1.00 0.00 H new ATOM 0 HD12 LEU B 115 4.560 5.665 4.586 1.00 0.00 H new ATOM 0 HD13 LEU B 115 5.177 4.068 4.099 1.00 0.00 H new ATOM 0 HD21 LEU B 115 2.388 2.687 3.997 1.00 0.00 H new ATOM 0 HD22 LEU B 115 3.861 1.995 4.715 1.00 0.00 H new ATOM 0 HD23 LEU B 115 2.384 2.154 5.695 1.00 0.00 H new ATOM 1687 N THR B 116 5.696 4.197 8.909 1.00 0.00 N ATOM 1688 CA THR B 116 7.002 4.124 9.525 1.00 0.00 C ATOM 1689 C THR B 116 6.948 3.611 10.957 1.00 0.00 C ATOM 1690 O THR B 116 7.785 2.788 11.366 1.00 0.00 O ATOM 1691 CB THR B 116 7.682 5.501 9.442 1.00 0.00 C ATOM 1692 OG1 THR B 116 7.598 5.956 8.074 1.00 0.00 O ATOM 1693 CG2 THR B 116 9.151 5.419 9.845 1.00 0.00 C ATOM 0 H THR B 116 5.446 5.134 8.594 1.00 0.00 H new ATOM 0 HA THR B 116 7.596 3.395 8.974 1.00 0.00 H new ATOM 0 HB THR B 116 7.181 6.188 10.124 1.00 0.00 H new ATOM 0 HG1 THR B 116 6.728 6.380 7.923 1.00 0.00 H new ATOM 0 HG21 THR B 116 9.603 6.408 9.776 1.00 0.00 H new ATOM 0 HG22 THR B 116 9.227 5.056 10.870 1.00 0.00 H new ATOM 0 HG23 THR B 116 9.674 4.734 9.178 1.00 0.00 H new ATOM 1701 N SER B 117 5.934 4.022 11.677 1.00 0.00 N ATOM 1702 CA SER B 117 5.798 3.621 13.044 1.00 0.00 C ATOM 1703 C SER B 117 5.455 2.131 13.149 1.00 0.00 C ATOM 1704 O SER B 117 6.162 1.376 13.808 1.00 0.00 O ATOM 1705 CB SER B 117 4.759 4.490 13.750 1.00 0.00 C ATOM 1706 OG SER B 117 5.104 5.879 13.630 1.00 0.00 O ATOM 0 H SER B 117 5.194 4.634 11.334 1.00 0.00 H new ATOM 0 HA SER B 117 6.755 3.767 13.546 1.00 0.00 H new ATOM 0 HB2 SER B 117 3.774 4.315 13.317 1.00 0.00 H new ATOM 0 HB3 SER B 117 4.699 4.213 14.803 1.00 0.00 H new ATOM 0 HG SER B 117 4.738 6.236 12.794 1.00 0.00 H new ATOM 1712 N ASP B 118 4.429 1.694 12.434 1.00 0.00 N ATOM 1713 CA ASP B 118 3.981 0.304 12.565 1.00 0.00 C ATOM 1714 C ASP B 118 4.914 -0.659 11.825 1.00 0.00 C ATOM 1715 O ASP B 118 5.169 -1.769 12.283 1.00 0.00 O ATOM 1716 CB ASP B 118 2.537 0.149 12.068 1.00 0.00 C ATOM 1717 CG ASP B 118 1.927 -1.201 12.408 1.00 0.00 C ATOM 1718 OD1 ASP B 118 1.540 -1.411 13.583 1.00 0.00 O ATOM 1719 OD2 ASP B 118 1.792 -2.053 11.507 1.00 0.00 O ATOM 0 H ASP B 118 3.899 2.260 11.772 1.00 0.00 H new ATOM 0 HA ASP B 118 4.012 0.046 13.624 1.00 0.00 H new ATOM 0 HB2 ASP B 118 1.923 0.938 12.504 1.00 0.00 H new ATOM 0 HB3 ASP B 118 2.515 0.288 10.987 1.00 0.00 H new ATOM 1724 N SER B 119 5.465 -0.199 10.721 1.00 0.00 N ATOM 1725 CA SER B 119 6.288 -1.024 9.860 1.00 0.00 C ATOM 1726 C SER B 119 7.631 -1.382 10.494 1.00 0.00 C ATOM 1727 O SER B 119 7.952 -2.574 10.663 1.00 0.00 O ATOM 1728 CB SER B 119 6.494 -0.324 8.497 1.00 0.00 C ATOM 1729 OG SER B 119 7.162 -1.146 7.571 1.00 0.00 O ATOM 0 H SER B 119 5.355 0.761 10.394 1.00 0.00 H new ATOM 0 HA SER B 119 5.758 -1.964 9.708 1.00 0.00 H new ATOM 0 HB2 SER B 119 5.525 -0.034 8.090 1.00 0.00 H new ATOM 0 HB3 SER B 119 7.065 0.593 8.644 1.00 0.00 H new ATOM 0 HG SER B 119 7.269 -0.665 6.724 1.00 0.00 H new ATOM 1958 N MET B 141 -14.770 0.671 -6.180 1.00 0.00 N ATOM 1959 CA MET B 141 -13.409 1.049 -6.489 1.00 0.00 C ATOM 1960 C MET B 141 -12.690 -0.066 -7.233 1.00 0.00 C ATOM 1961 O MET B 141 -11.749 0.191 -7.978 1.00 0.00 O ATOM 1962 CB MET B 141 -12.665 1.402 -5.194 1.00 0.00 C ATOM 1963 CG MET B 141 -11.314 2.038 -5.397 1.00 0.00 C ATOM 1964 SD MET B 141 -10.487 2.421 -3.864 1.00 0.00 S ATOM 1965 CE MET B 141 -9.028 3.238 -4.490 1.00 0.00 C ATOM 0 HA MET B 141 -13.428 1.924 -7.139 1.00 0.00 H new ATOM 0 HB2 MET B 141 -13.286 2.079 -4.608 1.00 0.00 H new ATOM 0 HB3 MET B 141 -12.539 0.494 -4.604 1.00 0.00 H new ATOM 0 HG2 MET B 141 -10.687 1.367 -5.984 1.00 0.00 H new ATOM 0 HG3 MET B 141 -11.433 2.953 -5.978 1.00 0.00 H new ATOM 0 HE1 MET B 141 -8.696 3.990 -3.774 1.00 0.00 H new ATOM 0 HE2 MET B 141 -8.236 2.504 -4.639 1.00 0.00 H new ATOM 0 HE3 MET B 141 -9.260 3.720 -5.440 1.00 0.00 H new ATOM 1975 N GLU B 142 -13.178 -1.303 -7.073 1.00 0.00 N ATOM 1976 CA GLU B 142 -12.583 -2.453 -7.727 1.00 0.00 C ATOM 1977 C GLU B 142 -12.458 -2.307 -9.243 1.00 0.00 C ATOM 1978 O GLU B 142 -11.606 -2.922 -9.828 1.00 0.00 O ATOM 1979 CB GLU B 142 -13.235 -3.775 -7.368 1.00 0.00 C ATOM 1980 CG GLU B 142 -12.950 -4.240 -5.955 1.00 0.00 C ATOM 1981 CD GLU B 142 -13.366 -5.669 -5.762 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -14.553 -5.930 -5.470 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -12.517 -6.574 -5.923 1.00 0.00 O ATOM 0 H GLU B 142 -13.987 -1.523 -6.492 1.00 0.00 H new ATOM 0 HA GLU B 142 -11.572 -2.476 -7.321 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -14.313 -3.684 -7.499 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -12.893 -4.539 -8.067 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -11.886 -4.136 -5.742 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -13.481 -3.605 -5.246 1.00 0.00 H new ATOM 1990 N SER B 143 -13.320 -1.518 -9.868 1.00 0.00 N ATOM 1991 CA SER B 143 -13.238 -1.288 -11.304 1.00 0.00 C ATOM 1992 C SER B 143 -11.882 -0.621 -11.677 1.00 0.00 C ATOM 1993 O SER B 143 -11.135 -1.125 -12.529 1.00 0.00 O ATOM 1994 CB SER B 143 -14.394 -0.404 -11.721 1.00 0.00 C ATOM 1995 OG SER B 143 -15.617 -0.897 -11.170 1.00 0.00 O ATOM 0 H SER B 143 -14.084 -1.026 -9.404 1.00 0.00 H new ATOM 0 HA SER B 143 -13.295 -2.241 -11.829 1.00 0.00 H new ATOM 0 HB2 SER B 143 -14.220 0.618 -11.383 1.00 0.00 H new ATOM 0 HB3 SER B 143 -14.463 -0.373 -12.808 1.00 0.00 H new ATOM 0 HG SER B 143 -16.357 -0.316 -11.445 1.00 0.00 H new ATOM 2001 N ILE B 144 -11.538 0.466 -10.988 1.00 0.00 N ATOM 2002 CA ILE B 144 -10.282 1.157 -11.260 1.00 0.00 C ATOM 2003 C ILE B 144 -9.095 0.375 -10.683 1.00 0.00 C ATOM 2004 O ILE B 144 -7.945 0.469 -11.161 1.00 0.00 O ATOM 2005 CB ILE B 144 -10.311 2.677 -10.842 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.699 2.922 -9.361 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -11.245 3.455 -11.753 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -9.605 2.659 -8.347 1.00 0.00 C ATOM 0 H ILE B 144 -12.103 0.881 -10.248 1.00 0.00 H new ATOM 0 HA ILE B 144 -10.144 1.182 -12.341 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.286 3.033 -10.951 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -11.026 3.956 -9.256 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -11.554 2.291 -9.119 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -11.256 4.503 -11.454 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -10.898 3.376 -12.783 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -12.252 3.045 -11.677 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -9.982 2.861 -7.344 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -9.290 1.618 -8.413 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -8.754 3.309 -8.553 1.00 0.00 H new ATOM 2020 N ILE B 145 -9.394 -0.424 -9.676 1.00 0.00 N ATOM 2021 CA ILE B 145 -8.434 -1.346 -9.107 1.00 0.00 C ATOM 2022 C ILE B 145 -8.094 -2.392 -10.140 1.00 0.00 C ATOM 2023 O ILE B 145 -6.949 -2.741 -10.316 1.00 0.00 O ATOM 2024 CB ILE B 145 -9.004 -2.021 -7.838 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -9.161 -1.018 -6.684 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -8.274 -3.305 -7.435 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -7.929 -0.169 -6.411 1.00 0.00 C ATOM 0 H ILE B 145 -10.311 -0.451 -9.230 1.00 0.00 H new ATOM 0 HA ILE B 145 -7.536 -0.798 -8.821 1.00 0.00 H new ATOM 0 HB ILE B 145 -10.007 -2.359 -8.099 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -9.999 -0.358 -6.906 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -9.417 -1.565 -5.777 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -8.733 -3.718 -6.537 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -8.343 -4.032 -8.244 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -7.226 -3.081 -7.237 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -8.131 0.509 -5.582 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -7.090 -0.816 -6.155 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -7.682 0.410 -7.301 1.00 0.00 H new ATOM 2039 N ARG B 146 -9.113 -2.857 -10.830 1.00 0.00 N ATOM 2040 CA ARG B 146 -8.990 -3.824 -11.889 1.00 0.00 C ATOM 2041 C ARG B 146 -8.106 -3.248 -12.981 1.00 0.00 C ATOM 2042 O ARG B 146 -7.256 -3.948 -13.523 1.00 0.00 O ATOM 2043 CB ARG B 146 -10.374 -4.151 -12.421 1.00 0.00 C ATOM 2044 CG ARG B 146 -10.466 -5.332 -13.355 1.00 0.00 C ATOM 2045 CD ARG B 146 -11.902 -5.501 -13.815 1.00 0.00 C ATOM 2046 NE ARG B 146 -12.846 -5.635 -12.679 1.00 0.00 N ATOM 2047 CZ ARG B 146 -14.010 -4.957 -12.555 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -14.391 -4.093 -13.503 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -14.787 -5.146 -11.490 1.00 0.00 N ATOM 0 H ARG B 146 -10.075 -2.562 -10.662 1.00 0.00 H new ATOM 0 HA ARG B 146 -8.534 -4.743 -11.522 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -11.033 -4.333 -11.572 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -10.758 -3.273 -12.940 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -9.813 -5.182 -14.214 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -10.126 -6.236 -12.850 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -12.189 -4.644 -14.424 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -11.976 -6.383 -14.451 1.00 0.00 H new ATOM 0 HE ARG B 146 -12.599 -6.288 -11.935 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -13.803 -3.944 -14.323 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -15.269 -3.584 -13.406 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -14.505 -5.804 -10.764 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -15.664 -4.633 -11.401 1.00 0.00 H new ATOM 2063 N SER B 147 -8.287 -1.956 -13.263 1.00 0.00 N ATOM 2064 CA SER B 147 -7.446 -1.252 -14.217 1.00 0.00 C ATOM 2065 C SER B 147 -5.958 -1.375 -13.804 1.00 0.00 C ATOM 2066 O SER B 147 -5.101 -1.701 -14.633 1.00 0.00 O ATOM 2067 CB SER B 147 -7.867 0.220 -14.289 1.00 0.00 C ATOM 2068 OG SER B 147 -9.268 0.331 -14.510 1.00 0.00 O ATOM 0 H SER B 147 -9.013 -1.379 -12.839 1.00 0.00 H new ATOM 0 HA SER B 147 -7.567 -1.699 -15.204 1.00 0.00 H new ATOM 0 HB2 SER B 147 -7.599 0.726 -13.362 1.00 0.00 H new ATOM 0 HB3 SER B 147 -7.326 0.719 -15.093 1.00 0.00 H new ATOM 0 HG SER B 147 -9.519 1.277 -14.551 1.00 0.00 H new ATOM 2074 N GLU B 148 -5.670 -1.158 -12.513 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.298 -1.290 -12.012 1.00 0.00 C ATOM 2076 C GLU B 148 -3.831 -2.769 -11.971 1.00 0.00 C ATOM 2077 O GLU B 148 -2.767 -3.110 -12.483 1.00 0.00 O ATOM 2078 CB GLU B 148 -4.133 -0.682 -10.610 1.00 0.00 C ATOM 2079 CG GLU B 148 -4.498 0.793 -10.469 1.00 0.00 C ATOM 2080 CD GLU B 148 -4.093 1.355 -9.111 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -4.538 0.834 -8.074 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -3.266 2.313 -9.065 1.00 0.00 O ATOM 0 H GLU B 148 -6.358 -0.894 -11.808 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.676 -0.738 -12.717 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -4.746 -1.255 -9.914 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -3.096 -0.809 -10.301 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -4.009 1.364 -11.258 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -5.572 0.915 -10.606 1.00 0.00 H new ATOM 2089 N LEU B 149 -4.636 -3.647 -11.381 1.00 0.00 N ATOM 2090 CA LEU B 149 -4.241 -5.042 -11.162 1.00 0.00 C ATOM 2091 C LEU B 149 -4.188 -5.892 -12.426 1.00 0.00 C ATOM 2092 O LEU B 149 -3.368 -6.808 -12.518 1.00 0.00 O ATOM 2093 CB LEU B 149 -5.023 -5.731 -10.005 1.00 0.00 C ATOM 2094 CG LEU B 149 -6.559 -5.836 -10.077 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -7.035 -6.809 -11.150 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -7.098 -6.250 -8.739 1.00 0.00 C ATOM 0 H LEU B 149 -5.571 -3.419 -11.043 1.00 0.00 H new ATOM 0 HA LEU B 149 -3.205 -4.973 -10.831 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.632 -6.744 -9.906 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -4.776 -5.202 -9.085 1.00 0.00 H new ATOM 0 HG LEU B 149 -6.938 -4.851 -10.350 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -8.125 -6.842 -11.154 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -6.678 -6.478 -12.125 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -6.643 -7.804 -10.939 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -8.184 -6.324 -8.791 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -6.681 -7.219 -8.463 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -6.820 -5.509 -7.990 1.00 0.00 H new ATOM 2108 N MET B 150 -5.025 -5.601 -13.389 1.00 0.00 N ATOM 2109 CA MET B 150 -4.998 -6.355 -14.627 1.00 0.00 C ATOM 2110 C MET B 150 -3.998 -5.716 -15.564 1.00 0.00 C ATOM 2111 O MET B 150 -3.519 -6.348 -16.513 1.00 0.00 O ATOM 2112 CB MET B 150 -6.389 -6.425 -15.274 1.00 0.00 C ATOM 2113 CG MET B 150 -6.432 -7.306 -16.510 1.00 0.00 C ATOM 2114 SD MET B 150 -5.967 -9.009 -16.136 1.00 0.00 S ATOM 2115 CE MET B 150 -5.998 -9.729 -17.775 1.00 0.00 C ATOM 0 H MET B 150 -5.725 -4.860 -13.347 1.00 0.00 H new ATOM 0 HA MET B 150 -4.697 -7.381 -14.413 1.00 0.00 H new ATOM 0 HB2 MET B 150 -7.104 -6.802 -14.543 1.00 0.00 H new ATOM 0 HB3 MET B 150 -6.708 -5.418 -15.543 1.00 0.00 H new ATOM 0 HG2 MET B 150 -7.436 -7.288 -16.934 1.00 0.00 H new ATOM 0 HG3 MET B 150 -5.759 -6.903 -17.267 1.00 0.00 H new ATOM 0 HE1 MET B 150 -5.732 -10.784 -17.714 1.00 0.00 H new ATOM 0 HE2 MET B 150 -6.998 -9.631 -18.197 1.00 0.00 H new ATOM 0 HE3 MET B 150 -5.283 -9.211 -18.414 1.00 0.00 H new