USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=26 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 73 TYR OH : rot 180:sc= 0.451 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 151:sc= 1.36 (180deg=0.118) USER MOD Set 2.1: A 46 TYR OH : rot -161:sc= 0.317 USER MOD Set 2.2: A 71 LYS NZ :NH3+ -169:sc= -0.837 (180deg=-1.12!) USER MOD Set 3.1: A 21 LYS NZ :NH3+ 135:sc= 2.04 (180deg=0.844) USER MOD Set 3.2: A 24 GLN : amide:sc= 0.547 K(o=2.6,f=-6.9!) USER MOD Set 4.1: A 17 HIS : no HD1:sc= -5.11! C(o=-5.8!,f=-6.6!) USER MOD Set 4.2: B 119 SER OG : rot 16:sc= -0.648 USER MOD Single : A 7 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.029) USER MOD Single : A 9 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.014) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0867 F(o=-1.1,f=-0.087) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 29 THR OG1 : rot -106:sc= -0.245 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -140:sc= -3.39! (180deg=-6.54!) USER MOD Single : A 42 ASN : amide:sc= -2.33! C(o=-2.3!,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc=-0.00904 (180deg=-0.136) USER MOD Single : A 49 LYS NZ :NH3+ 155:sc= 1.15 (180deg=0.404) USER MOD Single : A 54 MET CE :methyl 155:sc= -1.7! (180deg=-1.98) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 82:sc= 1.09 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot -4:sc= 0.441 USER MOD Single : A 64 TYR OH : rot -160:sc= 0.288 USER MOD Single : A 65 TYR OH : rot 35:sc= -0.432 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.923 X(o=-0.92,f=-1.1) 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 112 GLN : amide:sc= -2.62! C(o=-2.6!,f=-4.2!) USER MOD Single : B 116 THR OG1 : rot 180:sc= 0 USER MOD Single : B 117 SER OG : rot 180:sc= 0 USER MOD Single : B 141 MET CE :methyl 170:sc= -1.11 (180deg=-1.34) USER MOD Single : B 143 SER OG : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot 180:sc= 0 USER MOD Single : B 150 MET CE :methyl 169:sc= -0.0345 (180deg=-0.27) USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 5 22.624 -1.021 -4.981 1.00 0.00 N ATOM 73 CA GLY A 5 23.152 -1.436 -3.683 1.00 0.00 C ATOM 74 C GLY A 5 22.360 -0.974 -2.489 1.00 0.00 C ATOM 75 O GLY A 5 22.694 -1.298 -1.363 1.00 0.00 O ATOM 0 HA2 GLY A 5 23.207 -2.524 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 5 24.172 -1.063 -3.588 1.00 0.00 H new ATOM 79 N TRP A 6 21.289 -0.260 -2.718 1.00 0.00 N ATOM 80 CA TRP A 6 20.455 0.187 -1.631 1.00 0.00 C ATOM 81 C TRP A 6 19.575 -0.947 -1.121 1.00 0.00 C ATOM 82 O TRP A 6 18.869 -0.800 -0.123 1.00 0.00 O ATOM 83 CB TRP A 6 19.635 1.427 -1.996 1.00 0.00 C ATOM 84 CG TRP A 6 18.729 1.307 -3.183 1.00 0.00 C ATOM 85 CD1 TRP A 6 19.025 1.643 -4.460 1.00 0.00 C ATOM 86 CD2 TRP A 6 17.367 0.859 -3.194 1.00 0.00 C ATOM 87 NE1 TRP A 6 17.941 1.457 -5.260 1.00 0.00 N ATOM 88 CE2 TRP A 6 16.906 0.972 -4.512 1.00 0.00 C ATOM 89 CE3 TRP A 6 16.495 0.384 -2.221 1.00 0.00 C ATOM 90 CZ2 TRP A 6 15.612 0.626 -4.883 1.00 0.00 C ATOM 91 CZ3 TRP A 6 15.214 0.039 -2.591 1.00 0.00 C ATOM 92 CH2 TRP A 6 14.785 0.166 -3.911 1.00 0.00 C ATOM 0 H TRP A 6 20.973 0.025 -3.645 1.00 0.00 H new ATOM 0 HA TRP A 6 21.116 0.489 -0.818 1.00 0.00 H new ATOM 0 HB2 TRP A 6 19.030 1.702 -1.132 1.00 0.00 H new ATOM 0 HB3 TRP A 6 20.325 2.251 -2.176 1.00 0.00 H new ATOM 0 HD1 TRP A 6 19.985 2.007 -4.796 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.906 1.649 -6.261 1.00 0.00 H new ATOM 0 HE3 TRP A 6 16.816 0.287 -1.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 15.278 0.720 -5.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 14.530 -0.337 -1.845 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.772 -0.108 -4.166 1.00 0.00 H new ATOM 103 N HIS A 7 19.657 -2.092 -1.800 1.00 0.00 N ATOM 104 CA HIS A 7 18.935 -3.309 -1.420 1.00 0.00 C ATOM 105 C HIS A 7 19.315 -3.797 -0.006 1.00 0.00 C ATOM 106 O HIS A 7 18.612 -4.601 0.592 1.00 0.00 O ATOM 107 CB HIS A 7 19.150 -4.440 -2.466 1.00 0.00 C ATOM 108 CG HIS A 7 20.597 -4.801 -2.754 1.00 0.00 C ATOM 109 ND1 HIS A 7 21.124 -4.892 -4.017 1.00 0.00 N ATOM 110 CD2 HIS A 7 21.609 -5.120 -1.914 1.00 0.00 C ATOM 111 CE1 HIS A 7 22.400 -5.253 -3.913 1.00 0.00 C ATOM 112 NE2 HIS A 7 22.746 -5.406 -2.650 1.00 0.00 N ATOM 0 H HIS A 7 20.231 -2.203 -2.636 1.00 0.00 H new ATOM 0 HA HIS A 7 17.876 -3.052 -1.401 1.00 0.00 H new ATOM 0 HB2 HIS A 7 18.633 -5.335 -2.119 1.00 0.00 H new ATOM 0 HB3 HIS A 7 18.676 -4.141 -3.401 1.00 0.00 H new ATOM 0 HD2 HIS A 7 21.540 -5.147 -0.837 1.00 0.00 H new ATOM 0 HE1 HIS A 7 23.064 -5.401 -4.752 1.00 0.00 H new ATOM 0 HE2 HIS A 7 23.661 -5.678 -2.290 1.00 0.00 H new ATOM 120 N GLU A 8 20.438 -3.330 0.504 1.00 0.00 N ATOM 121 CA GLU A 8 20.882 -3.706 1.833 1.00 0.00 C ATOM 122 C GLU A 8 20.348 -2.740 2.882 1.00 0.00 C ATOM 123 O GLU A 8 20.413 -3.005 4.078 1.00 0.00 O ATOM 124 CB GLU A 8 22.403 -3.805 1.887 1.00 0.00 C ATOM 125 CG GLU A 8 23.125 -2.543 1.475 1.00 0.00 C ATOM 126 CD GLU A 8 24.612 -2.706 1.508 1.00 0.00 C ATOM 127 OE1 GLU A 8 25.213 -2.467 2.569 1.00 0.00 O ATOM 128 OE2 GLU A 8 25.214 -3.091 0.475 1.00 0.00 O ATOM 0 H GLU A 8 21.062 -2.687 0.016 1.00 0.00 H new ATOM 0 HA GLU A 8 20.477 -4.692 2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 8 22.702 -4.066 2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 8 22.725 -4.621 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 8 22.814 -2.261 0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 8 22.836 -1.728 2.138 1.00 0.00 H new ATOM 135 N HIS A 9 19.789 -1.641 2.422 1.00 0.00 N ATOM 136 CA HIS A 9 19.234 -0.624 3.304 1.00 0.00 C ATOM 137 C HIS A 9 17.733 -0.763 3.396 1.00 0.00 C ATOM 138 O HIS A 9 17.043 0.073 3.989 1.00 0.00 O ATOM 139 CB HIS A 9 19.603 0.784 2.841 1.00 0.00 C ATOM 140 CG HIS A 9 21.032 1.150 3.048 1.00 0.00 C ATOM 141 ND1 HIS A 9 21.473 1.924 4.095 1.00 0.00 N ATOM 142 CD2 HIS A 9 22.123 0.860 2.309 1.00 0.00 C ATOM 143 CE1 HIS A 9 22.784 2.088 3.964 1.00 0.00 C ATOM 144 NE2 HIS A 9 23.237 1.456 2.888 1.00 0.00 N ATOM 0 H HIS A 9 19.704 -1.423 1.429 1.00 0.00 H new ATOM 0 HA HIS A 9 19.667 -0.777 4.293 1.00 0.00 H new ATOM 0 HB2 HIS A 9 19.368 0.877 1.781 1.00 0.00 H new ATOM 0 HB3 HIS A 9 18.977 1.502 3.371 1.00 0.00 H new ATOM 0 HD2 HIS A 9 22.130 0.260 1.411 1.00 0.00 H new ATOM 0 HE1 HIS A 9 23.400 2.660 4.643 1.00 0.00 H new ATOM 0 HE2 HIS A 9 24.201 1.416 2.556 1.00 0.00 H new ATOM 152 N VAL A 10 17.242 -1.806 2.796 1.00 0.00 N ATOM 153 CA VAL A 10 15.852 -2.131 2.812 1.00 0.00 C ATOM 154 C VAL A 10 15.703 -3.583 3.274 1.00 0.00 C ATOM 155 O VAL A 10 16.140 -4.521 2.607 1.00 0.00 O ATOM 156 CB VAL A 10 15.179 -1.841 1.418 1.00 0.00 C ATOM 157 CG1 VAL A 10 15.855 -2.533 0.255 1.00 0.00 C ATOM 158 CG2 VAL A 10 13.687 -2.101 1.429 1.00 0.00 C ATOM 0 H VAL A 10 17.812 -2.468 2.270 1.00 0.00 H new ATOM 0 HA VAL A 10 15.319 -1.494 3.518 1.00 0.00 H new ATOM 0 HB VAL A 10 15.325 -0.773 1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 10 15.334 -2.284 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.891 -2.202 0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.828 -3.612 0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.273 -1.886 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.502 -3.145 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.211 -1.459 2.171 1.00 0.00 H new ATOM 168 N THR A 11 15.168 -3.740 4.454 1.00 0.00 N ATOM 169 CA THR A 11 15.031 -5.029 5.085 1.00 0.00 C ATOM 170 C THR A 11 13.882 -5.823 4.427 1.00 0.00 C ATOM 171 O THR A 11 12.906 -5.217 3.943 1.00 0.00 O ATOM 172 CB THR A 11 14.703 -4.792 6.566 1.00 0.00 C ATOM 173 OG1 THR A 11 15.411 -3.610 7.006 1.00 0.00 O ATOM 174 CG2 THR A 11 15.170 -5.966 7.405 1.00 0.00 C ATOM 0 H THR A 11 14.809 -2.967 5.014 1.00 0.00 H new ATOM 0 HA THR A 11 15.953 -5.600 4.977 1.00 0.00 H new ATOM 0 HB THR A 11 13.626 -4.673 6.680 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.212 -3.442 7.951 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.930 -5.783 8.452 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.668 -6.874 7.071 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.248 -6.086 7.295 1.00 0.00 H new ATOM 182 N GLN A 12 13.985 -7.162 4.419 1.00 0.00 N ATOM 183 CA GLN A 12 12.946 -8.015 3.834 1.00 0.00 C ATOM 184 C GLN A 12 11.599 -7.786 4.506 1.00 0.00 C ATOM 185 O GLN A 12 10.563 -7.741 3.848 1.00 0.00 O ATOM 186 CB GLN A 12 13.351 -9.516 3.834 1.00 0.00 C ATOM 187 CG GLN A 12 12.266 -10.459 3.303 1.00 0.00 C ATOM 188 CD GLN A 12 11.581 -11.311 4.389 1.00 0.00 C ATOM 189 OE1 GLN A 12 11.565 -10.852 5.615 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 11.108 -12.408 4.114 1.00 0.00 N flip ATOM 0 H GLN A 12 14.776 -7.673 4.811 1.00 0.00 H new ATOM 0 HA GLN A 12 12.841 -7.725 2.789 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.250 -9.638 3.230 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.608 -9.812 4.851 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.508 -9.869 2.789 1.00 0.00 H new ATOM 0 HG3 GLN A 12 12.710 -11.124 2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.131 -12.747 3.152 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.692 -12.982 4.847 1.00 0.00 H new ATOM 199 N ASP A 13 11.625 -7.590 5.806 1.00 0.00 N ATOM 200 CA ASP A 13 10.401 -7.336 6.549 1.00 0.00 C ATOM 201 C ASP A 13 9.797 -6.012 6.181 1.00 0.00 C ATOM 202 O ASP A 13 8.611 -5.908 6.061 1.00 0.00 O ATOM 203 CB ASP A 13 10.582 -7.426 8.065 1.00 0.00 C ATOM 204 CG ASP A 13 10.743 -8.833 8.582 1.00 0.00 C ATOM 205 OD1 ASP A 13 9.744 -9.574 8.650 1.00 0.00 O ATOM 206 OD2 ASP A 13 11.873 -9.226 8.938 1.00 0.00 O ATOM 0 H ASP A 13 12.473 -7.601 6.372 1.00 0.00 H new ATOM 0 HA ASP A 13 9.716 -8.133 6.260 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.457 -6.843 8.351 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.721 -6.968 8.551 1.00 0.00 H new ATOM 211 N LEU A 14 10.636 -5.029 5.912 1.00 0.00 N ATOM 212 CA LEU A 14 10.174 -3.679 5.606 1.00 0.00 C ATOM 213 C LEU A 14 9.442 -3.690 4.263 1.00 0.00 C ATOM 214 O LEU A 14 8.308 -3.225 4.159 1.00 0.00 O ATOM 215 CB LEU A 14 11.400 -2.701 5.622 1.00 0.00 C ATOM 216 CG LEU A 14 11.186 -1.173 5.382 1.00 0.00 C ATOM 217 CD1 LEU A 14 10.914 -0.861 3.944 1.00 0.00 C ATOM 218 CD2 LEU A 14 10.074 -0.612 6.237 1.00 0.00 C ATOM 0 H LEU A 14 11.650 -5.137 5.898 1.00 0.00 H new ATOM 0 HA LEU A 14 9.467 -3.327 6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.889 -2.811 6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 14 12.104 -3.052 4.867 1.00 0.00 H new ATOM 0 HG LEU A 14 12.122 -0.695 5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.772 0.213 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.758 -1.185 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.013 -1.384 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.962 0.453 6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.141 -1.125 6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.315 -0.759 7.290 1.00 0.00 H new ATOM 230 N ARG A 15 10.079 -4.272 3.264 1.00 0.00 N ATOM 231 CA ARG A 15 9.514 -4.341 1.918 1.00 0.00 C ATOM 232 C ARG A 15 8.214 -5.161 1.885 1.00 0.00 C ATOM 233 O ARG A 15 7.216 -4.759 1.272 1.00 0.00 O ATOM 234 CB ARG A 15 10.573 -4.849 0.916 1.00 0.00 C ATOM 235 CG ARG A 15 11.181 -6.180 1.254 1.00 0.00 C ATOM 236 CD ARG A 15 12.532 -6.364 0.594 1.00 0.00 C ATOM 237 NE ARG A 15 12.492 -6.349 -0.873 1.00 0.00 N ATOM 238 CZ ARG A 15 13.402 -6.951 -1.666 1.00 0.00 C ATOM 239 NH1 ARG A 15 14.358 -7.707 -1.139 1.00 0.00 N ATOM 240 NH2 ARG A 15 13.337 -6.808 -2.981 1.00 0.00 N ATOM 0 H ARG A 15 10.996 -4.709 3.355 1.00 0.00 H new ATOM 0 HA ARG A 15 9.234 -3.334 1.609 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.115 -4.916 -0.071 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.371 -4.109 0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.290 -6.266 2.335 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.509 -6.978 0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.201 -5.575 0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.960 -7.310 0.925 1.00 0.00 H new ATOM 0 HE ARG A 15 11.725 -5.850 -1.323 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.408 -7.836 -0.128 1.00 0.00 H new ATOM 0 HH12 ARG A 15 15.043 -8.159 -1.745 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.597 -6.241 -3.396 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.026 -7.264 -3.578 1.00 0.00 H new ATOM 254 N SER A 16 8.211 -6.271 2.596 1.00 0.00 N ATOM 255 CA SER A 16 7.054 -7.136 2.687 1.00 0.00 C ATOM 256 C SER A 16 5.944 -6.453 3.491 1.00 0.00 C ATOM 257 O SER A 16 4.747 -6.668 3.259 1.00 0.00 O ATOM 258 CB SER A 16 7.475 -8.469 3.343 1.00 0.00 C ATOM 259 OG SER A 16 6.382 -9.355 3.536 1.00 0.00 O ATOM 0 H SER A 16 9.016 -6.599 3.129 1.00 0.00 H new ATOM 0 HA SER A 16 6.664 -7.339 1.690 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.225 -8.955 2.719 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.945 -8.263 4.305 1.00 0.00 H new ATOM 0 HG SER A 16 6.701 -10.183 3.952 1.00 0.00 H new ATOM 265 N HIS A 17 6.336 -5.619 4.423 1.00 0.00 N ATOM 266 CA HIS A 17 5.395 -4.946 5.263 1.00 0.00 C ATOM 267 C HIS A 17 4.702 -3.821 4.492 1.00 0.00 C ATOM 268 O HIS A 17 3.519 -3.549 4.697 1.00 0.00 O ATOM 269 CB HIS A 17 6.080 -4.424 6.504 1.00 0.00 C ATOM 270 CG HIS A 17 5.146 -4.233 7.619 1.00 0.00 C ATOM 271 ND1 HIS A 17 4.747 -5.231 8.472 1.00 0.00 N ATOM 272 CD2 HIS A 17 4.493 -3.152 7.981 1.00 0.00 C ATOM 273 CE1 HIS A 17 3.863 -4.716 9.311 1.00 0.00 C ATOM 274 NE2 HIS A 17 3.670 -3.445 9.055 1.00 0.00 N ATOM 0 H HIS A 17 7.312 -5.393 4.614 1.00 0.00 H new ATOM 0 HA HIS A 17 4.629 -5.655 5.577 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.863 -5.121 6.804 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.568 -3.476 6.275 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.584 -2.183 7.513 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.369 -5.267 10.098 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.044 -2.805 9.545 1.00 0.00 H new ATOM 282 N LEU A 18 5.439 -3.171 3.609 1.00 0.00 N ATOM 283 CA LEU A 18 4.867 -2.158 2.733 1.00 0.00 C ATOM 284 C LEU A 18 3.873 -2.803 1.774 1.00 0.00 C ATOM 285 O LEU A 18 2.815 -2.234 1.505 1.00 0.00 O ATOM 286 CB LEU A 18 5.973 -1.373 2.003 1.00 0.00 C ATOM 287 CG LEU A 18 6.593 -0.147 2.745 1.00 0.00 C ATOM 288 CD1 LEU A 18 6.685 -0.349 4.251 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.976 0.084 2.227 1.00 0.00 C ATOM 0 H LEU A 18 6.439 -3.326 3.478 1.00 0.00 H new ATOM 0 HA LEU A 18 4.319 -1.431 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.780 -2.067 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.567 -1.022 1.054 1.00 0.00 H new ATOM 0 HG LEU A 18 5.937 0.703 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.124 0.537 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.687 -0.512 4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.310 -1.216 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.418 0.939 2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.585 -0.802 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.935 0.284 1.156 1.00 0.00 H new ATOM 301 N VAL A 19 4.198 -4.021 1.303 1.00 0.00 N ATOM 302 CA VAL A 19 3.250 -4.822 0.493 1.00 0.00 C ATOM 303 C VAL A 19 1.954 -5.032 1.298 1.00 0.00 C ATOM 304 O VAL A 19 0.837 -4.842 0.782 1.00 0.00 O ATOM 305 CB VAL A 19 3.831 -6.234 0.125 1.00 0.00 C ATOM 306 CG1 VAL A 19 2.830 -7.062 -0.650 1.00 0.00 C ATOM 307 CG2 VAL A 19 5.086 -6.124 -0.683 1.00 0.00 C ATOM 0 H VAL A 19 5.099 -4.472 1.465 1.00 0.00 H new ATOM 0 HA VAL A 19 3.064 -4.274 -0.431 1.00 0.00 H new ATOM 0 HB VAL A 19 4.055 -6.726 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.266 -8.032 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.933 -7.205 -0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.569 -6.546 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.457 -7.122 -0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.877 -5.588 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.840 -5.582 -0.112 1.00 0.00 H new ATOM 317 N HIS A 20 2.130 -5.399 2.567 1.00 0.00 N ATOM 318 CA HIS A 20 1.024 -5.624 3.490 1.00 0.00 C ATOM 319 C HIS A 20 0.127 -4.383 3.579 1.00 0.00 C ATOM 320 O HIS A 20 -1.082 -4.495 3.438 1.00 0.00 O ATOM 321 CB HIS A 20 1.552 -6.054 4.882 1.00 0.00 C ATOM 322 CG HIS A 20 0.487 -6.348 5.916 1.00 0.00 C ATOM 323 ND1 HIS A 20 0.503 -5.843 7.200 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.621 -7.134 5.841 1.00 0.00 C ATOM 325 CE1 HIS A 20 -0.556 -6.321 7.846 1.00 0.00 C ATOM 326 NE2 HIS A 20 -1.280 -7.112 7.071 1.00 0.00 N ATOM 0 H HIS A 20 3.049 -5.549 2.983 1.00 0.00 H new ATOM 0 HA HIS A 20 0.412 -6.440 3.105 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.170 -6.943 4.759 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.200 -5.266 5.266 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.939 -7.686 4.969 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.795 -6.092 8.874 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.139 -7.602 7.320 1.00 0.00 H new ATOM 334 N LYS A 21 0.722 -3.197 3.758 1.00 0.00 N ATOM 335 CA LYS A 21 -0.087 -1.975 3.811 1.00 0.00 C ATOM 336 C LYS A 21 -0.799 -1.680 2.522 1.00 0.00 C ATOM 337 O LYS A 21 -1.927 -1.193 2.557 1.00 0.00 O ATOM 338 CB LYS A 21 0.645 -0.721 4.270 1.00 0.00 C ATOM 339 CG LYS A 21 0.742 -0.555 5.764 1.00 0.00 C ATOM 340 CD LYS A 21 1.888 -1.315 6.360 1.00 0.00 C ATOM 341 CE LYS A 21 1.971 -1.064 7.856 1.00 0.00 C ATOM 342 NZ LYS A 21 0.783 -1.540 8.586 1.00 0.00 N ATOM 0 H LYS A 21 1.727 -3.059 3.865 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.815 -2.218 4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.652 -0.733 3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.139 0.150 3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.852 0.503 6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.188 -0.890 6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.763 -2.381 6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.820 -1.013 5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.857 -1.559 8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.096 0.004 8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.082 -2.051 9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.193 -0.727 8.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.233 -2.178 7.976 1.00 0.00 H new ATOM 356 N LEU A 22 -0.145 -1.946 1.390 1.00 0.00 N ATOM 357 CA LEU A 22 -0.767 -1.752 0.077 1.00 0.00 C ATOM 358 C LEU A 22 -2.086 -2.497 0.031 1.00 0.00 C ATOM 359 O LEU A 22 -3.112 -1.932 -0.337 1.00 0.00 O ATOM 360 CB LEU A 22 0.170 -2.212 -1.049 1.00 0.00 C ATOM 361 CG LEU A 22 1.427 -1.365 -1.269 1.00 0.00 C ATOM 362 CD1 LEU A 22 2.361 -2.036 -2.251 1.00 0.00 C ATOM 363 CD2 LEU A 22 1.041 -0.024 -1.817 1.00 0.00 C ATOM 0 H LEU A 22 0.813 -2.295 1.355 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.956 -0.689 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.479 -3.236 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.397 -2.233 -1.980 1.00 0.00 H new ATOM 0 HG LEU A 22 1.934 -1.253 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.247 -1.417 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.658 -3.011 -1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.853 -2.165 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.937 0.577 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.522 -0.155 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.383 0.482 -1.111 1.00 0.00 H new ATOM 375 N VAL A 23 -2.040 -3.741 0.476 1.00 0.00 N ATOM 376 CA VAL A 23 -3.212 -4.577 0.638 1.00 0.00 C ATOM 377 C VAL A 23 -4.233 -3.931 1.616 1.00 0.00 C ATOM 378 O VAL A 23 -5.392 -3.786 1.282 1.00 0.00 O ATOM 379 CB VAL A 23 -2.808 -5.979 1.176 1.00 0.00 C ATOM 380 CG1 VAL A 23 -4.013 -6.722 1.716 1.00 0.00 C ATOM 381 CG2 VAL A 23 -2.160 -6.794 0.070 1.00 0.00 C ATOM 0 H VAL A 23 -1.170 -4.205 0.739 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.679 -4.680 -0.341 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.096 -5.837 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.702 -7.699 2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.458 -6.150 2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.747 -6.852 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.880 -7.774 0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.864 -6.916 -0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.269 -6.278 -0.288 1.00 0.00 H new ATOM 391 N GLN A 24 -3.767 -3.523 2.800 1.00 0.00 N ATOM 392 CA GLN A 24 -4.652 -2.978 3.853 1.00 0.00 C ATOM 393 C GLN A 24 -5.398 -1.710 3.392 1.00 0.00 C ATOM 394 O GLN A 24 -6.513 -1.439 3.832 1.00 0.00 O ATOM 395 CB GLN A 24 -3.873 -2.654 5.139 1.00 0.00 C ATOM 396 CG GLN A 24 -3.001 -3.779 5.680 1.00 0.00 C ATOM 397 CD GLN A 24 -2.389 -3.428 7.021 1.00 0.00 C ATOM 398 OE1 GLN A 24 -1.292 -2.852 7.097 1.00 0.00 O ATOM 399 NE2 GLN A 24 -3.056 -3.793 8.078 1.00 0.00 N ATOM 0 H GLN A 24 -2.781 -3.557 3.061 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.383 -3.760 4.058 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.241 -1.786 4.951 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.586 -2.367 5.912 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.599 -4.685 5.780 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.208 -3.998 4.966 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.955 -4.264 7.976 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.680 -3.608 9.008 1.00 0.00 H new ATOM 408 N ALA A 25 -4.761 -0.929 2.549 1.00 0.00 N ATOM 409 CA ALA A 25 -5.353 0.291 2.037 1.00 0.00 C ATOM 410 C ALA A 25 -6.293 0.023 0.888 1.00 0.00 C ATOM 411 O ALA A 25 -7.361 0.601 0.833 1.00 0.00 O ATOM 412 CB ALA A 25 -4.290 1.208 1.585 1.00 0.00 C ATOM 0 H ALA A 25 -3.822 -1.118 2.199 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.926 0.742 2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.739 2.124 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.636 1.448 2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.708 0.730 0.796 1.00 0.00 H new ATOM 418 N ILE A 26 -5.892 -0.851 -0.038 1.00 0.00 N ATOM 419 CA ILE A 26 -6.729 -1.144 -1.202 1.00 0.00 C ATOM 420 C ILE A 26 -7.950 -1.939 -0.764 1.00 0.00 C ATOM 421 O ILE A 26 -9.045 -1.827 -1.330 1.00 0.00 O ATOM 422 CB ILE A 26 -5.961 -1.938 -2.328 1.00 0.00 C ATOM 423 CG1 ILE A 26 -6.865 -2.135 -3.532 1.00 0.00 C ATOM 424 CG2 ILE A 26 -5.444 -3.289 -1.851 1.00 0.00 C ATOM 425 CD1 ILE A 26 -6.332 -3.107 -4.546 1.00 0.00 C ATOM 0 H ILE A 26 -5.009 -1.360 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.026 -0.187 -1.630 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.093 -1.338 -2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.839 -2.482 -3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.023 -1.171 -4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.925 -3.789 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.755 -3.142 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.282 -3.904 -1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.036 -3.191 -5.374 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.372 -2.752 -4.921 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.201 -4.084 -4.080 1.00 0.00 H new ATOM 437 N PHE A 27 -7.752 -2.697 0.259 1.00 0.00 N ATOM 438 CA PHE A 27 -8.741 -3.533 0.795 1.00 0.00 C ATOM 439 C PHE A 27 -8.849 -3.260 2.283 1.00 0.00 C ATOM 440 O PHE A 27 -8.107 -3.852 3.082 1.00 0.00 O ATOM 441 CB PHE A 27 -8.321 -4.974 0.545 1.00 0.00 C ATOM 442 CG PHE A 27 -9.277 -6.038 0.973 1.00 0.00 C ATOM 443 CD1 PHE A 27 -10.459 -6.231 0.306 1.00 0.00 C ATOM 444 CD2 PHE A 27 -8.974 -6.858 2.041 1.00 0.00 C ATOM 445 CE1 PHE A 27 -11.332 -7.213 0.692 1.00 0.00 C ATOM 446 CE2 PHE A 27 -9.841 -7.847 2.432 1.00 0.00 C ATOM 447 CZ PHE A 27 -11.025 -8.026 1.757 1.00 0.00 C ATOM 0 H PHE A 27 -6.862 -2.745 0.754 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.711 -3.351 0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.136 -5.093 -0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.373 -5.145 1.054 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -10.705 -5.600 -0.535 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.045 -6.720 2.574 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -12.262 -7.349 0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.594 -8.484 3.269 1.00 0.00 H new ATOM 0 HZ PHE A 27 -11.711 -8.802 2.062 1.00 0.00 H new ATOM 457 N PRO A 28 -9.662 -2.255 2.677 1.00 0.00 N ATOM 458 CA PRO A 28 -10.001 -2.002 4.083 1.00 0.00 C ATOM 459 C PRO A 28 -10.745 -3.211 4.660 1.00 0.00 C ATOM 460 O PRO A 28 -11.983 -3.239 4.748 1.00 0.00 O ATOM 461 CB PRO A 28 -10.940 -0.788 3.998 1.00 0.00 C ATOM 462 CG PRO A 28 -11.438 -0.850 2.598 1.00 0.00 C ATOM 463 CD PRO A 28 -10.263 -1.240 1.803 1.00 0.00 C ATOM 0 HA PRO A 28 -9.134 -1.830 4.721 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.754 -0.856 4.720 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.413 0.145 4.198 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.244 -1.576 2.496 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.833 0.113 2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.539 -1.645 0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.591 -0.402 1.621 1.00 0.00 H new ATOM 471 N THR A 29 -9.979 -4.205 4.987 1.00 0.00 N ATOM 472 CA THR A 29 -10.457 -5.473 5.408 1.00 0.00 C ATOM 473 C THR A 29 -11.340 -5.398 6.670 1.00 0.00 C ATOM 474 O THR A 29 -11.057 -4.643 7.616 1.00 0.00 O ATOM 475 CB THR A 29 -9.280 -6.469 5.586 1.00 0.00 C ATOM 476 OG1 THR A 29 -9.781 -7.781 5.775 1.00 0.00 O ATOM 477 CG2 THR A 29 -8.381 -6.092 6.759 1.00 0.00 C ATOM 0 H THR A 29 -8.961 -4.146 4.965 1.00 0.00 H new ATOM 0 HA THR A 29 -11.107 -5.847 4.617 1.00 0.00 H new ATOM 0 HB THR A 29 -8.678 -6.426 4.678 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.670 -8.042 6.713 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.572 -6.817 6.845 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.963 -5.099 6.592 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.965 -6.090 7.679 1.00 0.00 H new ATOM 485 N PRO A 30 -12.452 -6.143 6.667 1.00 0.00 N ATOM 486 CA PRO A 30 -13.356 -6.215 7.807 1.00 0.00 C ATOM 487 C PRO A 30 -12.781 -7.091 8.926 1.00 0.00 C ATOM 488 O PRO A 30 -13.194 -6.993 10.090 1.00 0.00 O ATOM 489 CB PRO A 30 -14.606 -6.874 7.219 1.00 0.00 C ATOM 490 CG PRO A 30 -14.107 -7.693 6.081 1.00 0.00 C ATOM 491 CD PRO A 30 -12.941 -6.946 5.517 1.00 0.00 C ATOM 0 HA PRO A 30 -13.539 -5.238 8.255 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.112 -7.493 7.960 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.325 -6.127 6.883 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.809 -8.686 6.416 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.884 -7.830 5.329 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.172 -7.624 5.145 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.237 -6.311 4.682 1.00 0.00 H new ATOM 499 N ASP A 31 -11.824 -7.930 8.567 1.00 0.00 N ATOM 500 CA ASP A 31 -11.214 -8.859 9.495 1.00 0.00 C ATOM 501 C ASP A 31 -9.892 -9.308 8.921 1.00 0.00 C ATOM 502 O ASP A 31 -9.795 -9.486 7.711 1.00 0.00 O ATOM 503 CB ASP A 31 -12.091 -10.090 9.631 1.00 0.00 C ATOM 504 CG ASP A 31 -11.651 -10.995 10.744 1.00 0.00 C ATOM 505 OD1 ASP A 31 -10.827 -11.892 10.499 1.00 0.00 O ATOM 506 OD2 ASP A 31 -12.125 -10.812 11.887 1.00 0.00 O ATOM 0 H ASP A 31 -11.449 -7.984 7.620 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.086 -8.374 10.463 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.121 -9.780 9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.081 -10.644 8.692 1.00 0.00 H new ATOM 511 N PRO A 32 -8.857 -9.498 9.741 1.00 0.00 N ATOM 512 CA PRO A 32 -7.560 -9.992 9.281 1.00 0.00 C ATOM 513 C PRO A 32 -7.629 -11.318 8.474 1.00 0.00 C ATOM 514 O PRO A 32 -6.725 -11.618 7.701 1.00 0.00 O ATOM 515 CB PRO A 32 -6.755 -10.204 10.566 1.00 0.00 C ATOM 516 CG PRO A 32 -7.724 -10.054 11.689 1.00 0.00 C ATOM 517 CD PRO A 32 -8.836 -9.196 11.178 1.00 0.00 C ATOM 0 HA PRO A 32 -7.117 -9.277 8.588 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.293 -11.191 10.579 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.949 -9.474 10.646 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.100 -11.026 12.010 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.246 -9.595 12.555 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -9.785 -9.440 11.655 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.648 -8.139 11.365 1.00 0.00 H new ATOM 525 N ALA A 33 -8.692 -12.092 8.622 1.00 0.00 N ATOM 526 CA ALA A 33 -8.787 -13.345 7.895 1.00 0.00 C ATOM 527 C ALA A 33 -9.187 -13.154 6.428 1.00 0.00 C ATOM 528 O ALA A 33 -9.048 -14.066 5.616 1.00 0.00 O ATOM 529 CB ALA A 33 -9.686 -14.341 8.589 1.00 0.00 C ATOM 0 H ALA A 33 -9.486 -11.880 9.226 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.780 -13.763 7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -9.726 -15.262 8.008 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.293 -14.556 9.583 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.690 -13.925 8.678 1.00 0.00 H new ATOM 535 N ALA A 34 -9.641 -11.969 6.060 1.00 0.00 N ATOM 536 CA ALA A 34 -9.950 -11.714 4.652 1.00 0.00 C ATOM 537 C ALA A 34 -8.646 -11.470 3.886 1.00 0.00 C ATOM 538 O ALA A 34 -8.610 -11.425 2.659 1.00 0.00 O ATOM 539 CB ALA A 34 -10.916 -10.546 4.492 1.00 0.00 C ATOM 0 H ALA A 34 -9.803 -11.184 6.691 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.449 -12.589 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.122 -10.387 3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.847 -10.770 5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.471 -9.645 4.915 1.00 0.00 H new ATOM 545 N LEU A 35 -7.564 -11.388 4.642 1.00 0.00 N ATOM 546 CA LEU A 35 -6.242 -11.167 4.106 1.00 0.00 C ATOM 547 C LEU A 35 -5.572 -12.515 3.785 1.00 0.00 C ATOM 548 O LEU A 35 -4.400 -12.572 3.474 1.00 0.00 O ATOM 549 CB LEU A 35 -5.403 -10.399 5.124 1.00 0.00 C ATOM 550 CG LEU A 35 -6.042 -9.143 5.691 1.00 0.00 C ATOM 551 CD1 LEU A 35 -5.277 -8.688 6.903 1.00 0.00 C ATOM 552 CD2 LEU A 35 -6.080 -8.045 4.650 1.00 0.00 C ATOM 0 H LEU A 35 -7.585 -11.475 5.658 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.319 -10.585 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.166 -11.069 5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.458 -10.124 4.655 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.068 -9.371 5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.738 -7.787 7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.292 -9.473 7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.246 -8.474 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.542 -7.155 5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.064 -7.810 4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.662 -8.378 3.791 1.00 0.00 H new ATOM 564 N LYS A 36 -6.326 -13.599 3.900 1.00 0.00 N ATOM 565 CA LYS A 36 -5.828 -14.935 3.551 1.00 0.00 C ATOM 566 C LYS A 36 -6.864 -15.652 2.682 1.00 0.00 C ATOM 567 O LYS A 36 -6.840 -16.874 2.519 1.00 0.00 O ATOM 568 CB LYS A 36 -5.511 -15.755 4.821 1.00 0.00 C ATOM 569 CG LYS A 36 -6.705 -15.975 5.739 1.00 0.00 C ATOM 570 CD LYS A 36 -6.355 -16.784 6.981 1.00 0.00 C ATOM 571 CE LYS A 36 -5.321 -16.086 7.854 1.00 0.00 C ATOM 572 NZ LYS A 36 -5.020 -16.860 9.071 1.00 0.00 N ATOM 0 H LYS A 36 -7.290 -13.586 4.233 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.900 -14.833 2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.113 -16.725 4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.726 -15.247 5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.107 -15.008 6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.492 -16.488 5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.259 -16.960 7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.974 -17.760 6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.405 -15.936 7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.688 -15.098 8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.312 -16.352 9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.889 -16.982 9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.646 -17.793 8.805 1.00 0.00 H new ATOM 586 N ASP A 37 -7.744 -14.861 2.109 1.00 0.00 N ATOM 587 CA ASP A 37 -8.851 -15.341 1.267 1.00 0.00 C ATOM 588 C ASP A 37 -8.337 -15.581 -0.157 1.00 0.00 C ATOM 589 O ASP A 37 -7.192 -15.279 -0.457 1.00 0.00 O ATOM 590 CB ASP A 37 -9.907 -14.249 1.229 1.00 0.00 C ATOM 591 CG ASP A 37 -11.212 -14.639 0.609 1.00 0.00 C ATOM 592 OD1 ASP A 37 -12.061 -15.240 1.289 1.00 0.00 O ATOM 593 OD2 ASP A 37 -11.429 -14.302 -0.565 1.00 0.00 O ATOM 0 H ASP A 37 -7.722 -13.846 2.208 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.261 -16.269 1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.095 -13.913 2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.504 -13.397 0.682 1.00 0.00 H new ATOM 598 N ARG A 38 -9.172 -16.101 -1.033 1.00 0.00 N ATOM 599 CA ARG A 38 -8.768 -16.306 -2.414 1.00 0.00 C ATOM 600 C ARG A 38 -8.653 -14.977 -3.153 1.00 0.00 C ATOM 601 O ARG A 38 -7.881 -14.846 -4.091 1.00 0.00 O ATOM 602 CB ARG A 38 -9.670 -17.308 -3.149 1.00 0.00 C ATOM 603 CG ARG A 38 -11.023 -16.813 -3.693 1.00 0.00 C ATOM 604 CD ARG A 38 -11.998 -16.447 -2.600 1.00 0.00 C ATOM 605 NE ARG A 38 -13.315 -16.097 -3.125 1.00 0.00 N ATOM 606 CZ ARG A 38 -14.262 -15.437 -2.452 1.00 0.00 C ATOM 607 NH1 ARG A 38 -13.990 -14.855 -1.288 1.00 0.00 N ATOM 608 NH2 ARG A 38 -15.467 -15.316 -2.978 1.00 0.00 N ATOM 0 H ARG A 38 -10.127 -16.388 -0.819 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.776 -16.758 -2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.103 -17.712 -3.987 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.869 -18.137 -2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.857 -15.944 -4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.462 -17.589 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.096 -17.284 -1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.602 -15.607 -2.030 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.529 -16.379 -4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.049 -14.909 -0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.722 -14.354 -0.785 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.668 -15.725 -3.891 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.196 -14.814 -2.472 1.00 0.00 H new ATOM 622 N ARG A 39 -9.400 -13.969 -2.688 1.00 0.00 N ATOM 623 CA ARG A 39 -9.306 -12.628 -3.261 1.00 0.00 C ATOM 624 C ARG A 39 -7.945 -12.003 -2.894 1.00 0.00 C ATOM 625 O ARG A 39 -7.415 -11.117 -3.600 1.00 0.00 O ATOM 626 CB ARG A 39 -10.505 -11.750 -2.808 1.00 0.00 C ATOM 627 CG ARG A 39 -10.419 -10.282 -3.237 1.00 0.00 C ATOM 628 CD ARG A 39 -11.755 -9.543 -3.114 1.00 0.00 C ATOM 629 NE ARG A 39 -12.391 -9.653 -1.803 1.00 0.00 N ATOM 630 CZ ARG A 39 -13.377 -8.852 -1.368 1.00 0.00 C ATOM 631 NH1 ARG A 39 -13.815 -7.839 -2.126 1.00 0.00 N ATOM 632 NH2 ARG A 39 -13.929 -9.076 -0.180 1.00 0.00 N ATOM 0 H ARG A 39 -10.069 -14.058 -1.924 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.361 -12.690 -4.348 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.424 -12.179 -3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.580 -11.793 -1.721 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.672 -9.774 -2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.076 -10.231 -4.270 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.594 -8.488 -3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.440 -9.929 -3.869 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.064 -10.388 -1.176 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.399 -7.671 -3.042 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.564 -7.236 -1.787 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.603 -9.853 0.395 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.678 -8.471 0.156 1.00 0.00 H new ATOM 646 N MET A 40 -7.352 -12.536 -1.835 1.00 0.00 N ATOM 647 CA MET A 40 -6.063 -12.093 -1.355 1.00 0.00 C ATOM 648 C MET A 40 -4.969 -12.323 -2.360 1.00 0.00 C ATOM 649 O MET A 40 -4.180 -11.438 -2.574 1.00 0.00 O ATOM 650 CB MET A 40 -5.715 -12.716 0.015 1.00 0.00 C ATOM 651 CG MET A 40 -4.227 -12.680 0.422 1.00 0.00 C ATOM 652 SD MET A 40 -3.461 -11.051 0.284 1.00 0.00 S ATOM 653 CE MET A 40 -4.638 -10.041 1.125 1.00 0.00 C ATOM 0 H MET A 40 -7.759 -13.293 -1.285 1.00 0.00 H new ATOM 0 HA MET A 40 -6.139 -11.015 -1.213 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.293 -12.200 0.782 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.044 -13.755 0.012 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.135 -13.026 1.451 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.674 -13.383 -0.201 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.754 -9.097 0.592 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.598 -10.556 1.164 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.290 -9.845 2.139 1.00 0.00 H new ATOM 663 N GLU A 41 -4.963 -13.465 -3.039 1.00 0.00 N ATOM 664 CA GLU A 41 -3.862 -13.762 -3.967 1.00 0.00 C ATOM 665 C GLU A 41 -3.773 -12.692 -5.064 1.00 0.00 C ATOM 666 O GLU A 41 -2.692 -12.332 -5.502 1.00 0.00 O ATOM 667 CB GLU A 41 -3.984 -15.164 -4.558 1.00 0.00 C ATOM 668 CG GLU A 41 -5.123 -15.341 -5.524 1.00 0.00 C ATOM 669 CD GLU A 41 -5.352 -16.780 -5.868 1.00 0.00 C ATOM 670 OE1 GLU A 41 -4.707 -17.294 -6.805 1.00 0.00 O ATOM 671 OE2 GLU A 41 -6.178 -17.431 -5.214 1.00 0.00 O ATOM 0 H GLU A 41 -5.682 -14.185 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.932 -13.739 -3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.052 -15.412 -5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.102 -15.878 -3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.032 -14.923 -5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.916 -14.780 -6.435 1.00 0.00 H new ATOM 678 N ASN A 42 -4.923 -12.142 -5.417 1.00 0.00 N ATOM 679 CA ASN A 42 -5.028 -11.077 -6.396 1.00 0.00 C ATOM 680 C ASN A 42 -4.569 -9.739 -5.804 1.00 0.00 C ATOM 681 O ASN A 42 -3.797 -9.006 -6.425 1.00 0.00 O ATOM 682 CB ASN A 42 -6.474 -10.990 -6.919 1.00 0.00 C ATOM 683 CG ASN A 42 -6.756 -9.730 -7.718 1.00 0.00 C ATOM 684 OD1 ASN A 42 -6.515 -9.671 -8.928 1.00 0.00 O ATOM 685 ND2 ASN A 42 -7.316 -8.736 -7.055 1.00 0.00 N ATOM 0 H ASN A 42 -5.821 -12.428 -5.026 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.369 -11.303 -7.234 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.679 -11.860 -7.543 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.161 -11.036 -6.074 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.568 -7.876 -7.542 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.497 -8.828 -6.055 1.00 0.00 H new ATOM 692 N LEU A 43 -5.029 -9.440 -4.599 1.00 0.00 N ATOM 693 CA LEU A 43 -4.668 -8.188 -3.916 1.00 0.00 C ATOM 694 C LEU A 43 -3.192 -8.145 -3.590 1.00 0.00 C ATOM 695 O LEU A 43 -2.536 -7.126 -3.800 1.00 0.00 O ATOM 696 CB LEU A 43 -5.502 -8.019 -2.659 1.00 0.00 C ATOM 697 CG LEU A 43 -7.009 -7.968 -2.892 1.00 0.00 C ATOM 698 CD1 LEU A 43 -7.749 -8.003 -1.580 1.00 0.00 C ATOM 699 CD2 LEU A 43 -7.386 -6.724 -3.683 1.00 0.00 C ATOM 0 H LEU A 43 -5.655 -10.043 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.879 -7.359 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.281 -8.843 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.195 -7.101 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.296 -8.845 -3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.822 -7.966 -1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.505 -8.923 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.456 -7.146 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.465 -6.705 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.084 -5.835 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.880 -6.739 -4.648 1.00 0.00 H new ATOM 711 N VAL A 44 -2.660 -9.249 -3.120 1.00 0.00 N ATOM 712 CA VAL A 44 -1.267 -9.311 -2.793 1.00 0.00 C ATOM 713 C VAL A 44 -0.435 -9.352 -4.073 1.00 0.00 C ATOM 714 O VAL A 44 0.657 -8.834 -4.096 1.00 0.00 O ATOM 715 CB VAL A 44 -0.909 -10.484 -1.829 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.906 -11.848 -2.507 1.00 0.00 C ATOM 717 CG2 VAL A 44 0.384 -10.211 -1.073 1.00 0.00 C ATOM 0 H VAL A 44 -3.176 -10.113 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.022 -8.404 -2.240 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.714 -10.530 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.649 -12.616 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.895 -12.053 -2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.172 -11.852 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.602 -11.049 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.202 -10.087 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.275 -9.301 -0.483 1.00 0.00 H new ATOM 727 N ALA A 45 -0.985 -9.951 -5.150 1.00 0.00 N ATOM 728 CA ALA A 45 -0.314 -9.953 -6.457 1.00 0.00 C ATOM 729 C ALA A 45 -0.118 -8.516 -6.914 1.00 0.00 C ATOM 730 O ALA A 45 0.976 -8.109 -7.298 1.00 0.00 O ATOM 731 CB ALA A 45 -1.135 -10.722 -7.491 1.00 0.00 C ATOM 0 H ALA A 45 -1.883 -10.434 -5.137 1.00 0.00 H new ATOM 0 HA ALA A 45 0.652 -10.448 -6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.617 -10.709 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.262 -11.753 -7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.113 -10.253 -7.601 1.00 0.00 H new ATOM 737 N TYR A 46 -1.196 -7.749 -6.824 1.00 0.00 N ATOM 738 CA TYR A 46 -1.196 -6.322 -7.119 1.00 0.00 C ATOM 739 C TYR A 46 -0.211 -5.598 -6.220 1.00 0.00 C ATOM 740 O TYR A 46 0.567 -4.790 -6.691 1.00 0.00 O ATOM 741 CB TYR A 46 -2.635 -5.748 -6.937 1.00 0.00 C ATOM 742 CG TYR A 46 -2.750 -4.225 -6.707 1.00 0.00 C ATOM 743 CD1 TYR A 46 -2.677 -3.685 -5.410 1.00 0.00 C ATOM 744 CD2 TYR A 46 -2.950 -3.345 -7.751 1.00 0.00 C ATOM 745 CE1 TYR A 46 -2.793 -2.324 -5.184 1.00 0.00 C ATOM 746 CE2 TYR A 46 -3.068 -1.983 -7.516 1.00 0.00 C ATOM 747 CZ TYR A 46 -2.989 -1.480 -6.246 1.00 0.00 C ATOM 748 OH TYR A 46 -3.106 -0.111 -6.045 1.00 0.00 O ATOM 0 H TYR A 46 -2.108 -8.105 -6.540 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.886 -6.170 -8.153 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.218 -6.003 -7.822 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.100 -6.256 -6.092 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.527 -4.348 -4.571 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.015 -3.721 -8.761 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.730 -1.931 -4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.224 -1.311 -8.347 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.531 0.299 -6.827 1.00 0.00 H new ATOM 758 N ALA A 47 -0.249 -5.894 -4.945 1.00 0.00 N ATOM 759 CA ALA A 47 0.614 -5.237 -3.993 1.00 0.00 C ATOM 760 C ALA A 47 2.077 -5.512 -4.307 1.00 0.00 C ATOM 761 O ALA A 47 2.877 -4.599 -4.345 1.00 0.00 O ATOM 762 CB ALA A 47 0.261 -5.644 -2.579 1.00 0.00 C ATOM 0 H ALA A 47 -0.873 -6.591 -4.539 1.00 0.00 H new ATOM 0 HA ALA A 47 0.459 -4.161 -4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.924 -5.137 -1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.772 -5.366 -2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.376 -6.723 -2.471 1.00 0.00 H new ATOM 768 N LYS A 48 2.387 -6.760 -4.590 1.00 0.00 N ATOM 769 CA LYS A 48 3.734 -7.181 -4.957 1.00 0.00 C ATOM 770 C LYS A 48 4.191 -6.519 -6.239 1.00 0.00 C ATOM 771 O LYS A 48 5.294 -5.988 -6.311 1.00 0.00 O ATOM 772 CB LYS A 48 3.778 -8.681 -5.157 1.00 0.00 C ATOM 773 CG LYS A 48 3.656 -9.508 -3.897 1.00 0.00 C ATOM 774 CD LYS A 48 3.515 -10.972 -4.253 1.00 0.00 C ATOM 775 CE LYS A 48 3.605 -11.877 -3.038 1.00 0.00 C ATOM 776 NZ LYS A 48 4.961 -11.884 -2.446 1.00 0.00 N ATOM 0 H LYS A 48 1.709 -7.522 -4.573 1.00 0.00 H new ATOM 0 HA LYS A 48 4.397 -6.885 -4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.973 -8.964 -5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.716 -8.937 -5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.534 -9.361 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.792 -9.181 -3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.558 -11.131 -4.750 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.294 -11.246 -4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.885 -11.549 -2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.329 -12.893 -3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.034 -12.658 -1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.667 -12.023 -3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.136 -10.976 -1.970 1.00 0.00 H new ATOM 790 N LYS A 49 3.332 -6.544 -7.249 1.00 0.00 N ATOM 791 CA LYS A 49 3.675 -5.999 -8.550 1.00 0.00 C ATOM 792 C LYS A 49 3.877 -4.485 -8.458 1.00 0.00 C ATOM 793 O LYS A 49 4.739 -3.917 -9.127 1.00 0.00 O ATOM 794 CB LYS A 49 2.609 -6.361 -9.607 1.00 0.00 C ATOM 795 CG LYS A 49 1.337 -5.612 -9.522 1.00 0.00 C ATOM 796 CD LYS A 49 0.406 -6.016 -10.636 1.00 0.00 C ATOM 797 CE LYS A 49 -0.688 -5.002 -10.817 1.00 0.00 C ATOM 798 NZ LYS A 49 -0.163 -3.690 -11.294 1.00 0.00 N ATOM 0 H LYS A 49 2.393 -6.937 -7.190 1.00 0.00 H new ATOM 0 HA LYS A 49 4.615 -6.448 -8.872 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.037 -6.201 -10.597 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.388 -7.425 -9.523 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.862 -5.799 -8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.535 -4.542 -9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.968 -6.120 -11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.029 -6.991 -10.416 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.419 -5.381 -11.532 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.211 -4.861 -9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.915 -3.178 -11.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.154 -3.126 -10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.638 -3.850 -11.938 1.00 0.00 H new ATOM 812 N VAL A 50 3.085 -3.846 -7.612 1.00 0.00 N ATOM 813 CA VAL A 50 3.202 -2.436 -7.377 1.00 0.00 C ATOM 814 C VAL A 50 4.470 -2.150 -6.605 1.00 0.00 C ATOM 815 O VAL A 50 5.272 -1.363 -7.037 1.00 0.00 O ATOM 816 CB VAL A 50 1.951 -1.856 -6.640 1.00 0.00 C ATOM 817 CG1 VAL A 50 2.205 -0.451 -6.124 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.756 -1.830 -7.584 1.00 0.00 C ATOM 0 H VAL A 50 2.347 -4.300 -7.074 1.00 0.00 H new ATOM 0 HA VAL A 50 3.253 -1.936 -8.344 1.00 0.00 H new ATOM 0 HB VAL A 50 1.744 -2.504 -5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.313 -0.082 -5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.040 -0.466 -5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.445 0.206 -6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.111 -1.425 -7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.987 -1.204 -8.446 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.536 -2.843 -7.920 1.00 0.00 H new ATOM 828 N GLU A 51 4.663 -2.854 -5.512 1.00 0.00 N ATOM 829 CA GLU A 51 5.822 -2.685 -4.644 1.00 0.00 C ATOM 830 C GLU A 51 7.122 -2.897 -5.445 1.00 0.00 C ATOM 831 O GLU A 51 8.039 -2.070 -5.381 1.00 0.00 O ATOM 832 CB GLU A 51 5.663 -3.649 -3.447 1.00 0.00 C ATOM 833 CG GLU A 51 6.673 -3.545 -2.314 1.00 0.00 C ATOM 834 CD GLU A 51 7.972 -4.249 -2.590 1.00 0.00 C ATOM 835 OE1 GLU A 51 7.975 -5.260 -3.315 1.00 0.00 O ATOM 836 OE2 GLU A 51 8.996 -3.849 -2.049 1.00 0.00 O ATOM 0 H GLU A 51 4.014 -3.572 -5.191 1.00 0.00 H new ATOM 0 HA GLU A 51 5.885 -1.670 -4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.669 -3.498 -3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.695 -4.668 -3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.876 -2.492 -2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.232 -3.960 -1.408 1.00 0.00 H new ATOM 843 N GLY A 52 7.145 -3.955 -6.252 1.00 0.00 N ATOM 844 CA GLY A 52 8.276 -4.238 -7.115 1.00 0.00 C ATOM 845 C GLY A 52 8.485 -3.148 -8.148 1.00 0.00 C ATOM 846 O GLY A 52 9.621 -2.786 -8.456 1.00 0.00 O ATOM 0 H GLY A 52 6.385 -4.631 -6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.177 -4.343 -6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.118 -5.191 -7.620 1.00 0.00 H new ATOM 850 N ASP A 53 7.379 -2.617 -8.671 1.00 0.00 N ATOM 851 CA ASP A 53 7.400 -1.502 -9.642 1.00 0.00 C ATOM 852 C ASP A 53 8.101 -0.334 -9.034 1.00 0.00 C ATOM 853 O ASP A 53 9.042 0.188 -9.595 1.00 0.00 O ATOM 854 CB ASP A 53 5.982 -1.056 -9.968 1.00 0.00 C ATOM 855 CG ASP A 53 5.884 -0.094 -11.143 1.00 0.00 C ATOM 856 OD1 ASP A 53 6.007 -0.536 -12.307 1.00 0.00 O ATOM 857 OD2 ASP A 53 5.644 1.102 -10.929 1.00 0.00 O ATOM 0 H ASP A 53 6.440 -2.941 -8.439 1.00 0.00 H new ATOM 0 HA ASP A 53 7.906 -1.844 -10.545 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.377 -1.937 -10.183 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.551 -0.580 -9.087 1.00 0.00 H new ATOM 862 N MET A 54 7.674 0.017 -7.840 1.00 0.00 N ATOM 863 CA MET A 54 8.170 1.202 -7.132 1.00 0.00 C ATOM 864 C MET A 54 9.626 0.997 -6.795 1.00 0.00 C ATOM 865 O MET A 54 10.426 1.894 -6.948 1.00 0.00 O ATOM 866 CB MET A 54 7.469 1.423 -5.800 1.00 0.00 C ATOM 867 CG MET A 54 6.026 1.048 -5.664 1.00 0.00 C ATOM 868 SD MET A 54 4.809 2.251 -6.285 1.00 0.00 S ATOM 869 CE MET A 54 5.028 2.126 -8.030 1.00 0.00 C ATOM 0 H MET A 54 6.969 -0.507 -7.321 1.00 0.00 H new ATOM 0 HA MET A 54 7.993 2.053 -7.789 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.024 0.872 -5.041 1.00 0.00 H new ATOM 0 HB3 MET A 54 7.558 2.481 -5.554 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.869 0.104 -6.186 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.819 0.867 -4.609 1.00 0.00 H new ATOM 0 HE1 MET A 54 4.111 2.431 -8.535 1.00 0.00 H new ATOM 0 HE2 MET A 54 5.847 2.775 -8.341 1.00 0.00 H new ATOM 0 HE3 MET A 54 5.262 1.095 -8.294 1.00 0.00 H new ATOM 879 N TYR A 55 9.948 -0.206 -6.328 1.00 0.00 N ATOM 880 CA TYR A 55 11.301 -0.601 -5.970 1.00 0.00 C ATOM 881 C TYR A 55 12.207 -0.401 -7.180 1.00 0.00 C ATOM 882 O TYR A 55 13.309 0.134 -7.077 1.00 0.00 O ATOM 883 CB TYR A 55 11.268 -2.089 -5.551 1.00 0.00 C ATOM 884 CG TYR A 55 12.570 -2.685 -5.064 1.00 0.00 C ATOM 885 CD1 TYR A 55 13.449 -3.282 -5.949 1.00 0.00 C ATOM 886 CD2 TYR A 55 12.902 -2.674 -3.714 1.00 0.00 C ATOM 887 CE1 TYR A 55 14.632 -3.850 -5.513 1.00 0.00 C ATOM 888 CE2 TYR A 55 14.081 -3.244 -3.262 1.00 0.00 C ATOM 889 CZ TYR A 55 14.943 -3.829 -4.168 1.00 0.00 C ATOM 890 OH TYR A 55 16.121 -4.401 -3.730 1.00 0.00 O ATOM 0 H TYR A 55 9.260 -0.946 -6.186 1.00 0.00 H new ATOM 0 HA TYR A 55 11.685 -0.001 -5.145 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.525 -2.204 -4.762 1.00 0.00 H new ATOM 0 HB3 TYR A 55 10.923 -2.675 -6.403 1.00 0.00 H new ATOM 0 HD1 TYR A 55 13.207 -3.305 -7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 55 12.229 -2.213 -3.006 1.00 0.00 H new ATOM 0 HE1 TYR A 55 15.308 -4.307 -6.220 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.324 -3.231 -2.210 1.00 0.00 H new ATOM 0 HH TYR A 55 16.191 -4.301 -2.758 1.00 0.00 H new ATOM 900 N GLU A 56 11.699 -0.779 -8.336 1.00 0.00 N ATOM 901 CA GLU A 56 12.460 -0.649 -9.583 1.00 0.00 C ATOM 902 C GLU A 56 12.384 0.737 -10.206 1.00 0.00 C ATOM 903 O GLU A 56 13.170 1.095 -11.082 1.00 0.00 O ATOM 904 CB GLU A 56 12.134 -1.756 -10.561 1.00 0.00 C ATOM 905 CG GLU A 56 12.750 -3.070 -10.154 1.00 0.00 C ATOM 906 CD GLU A 56 14.248 -2.956 -10.126 1.00 0.00 C ATOM 907 OE1 GLU A 56 14.795 -2.552 -9.096 1.00 0.00 O ATOM 908 OE2 GLU A 56 14.885 -3.189 -11.163 1.00 0.00 O ATOM 0 H GLU A 56 10.767 -1.178 -8.448 1.00 0.00 H new ATOM 0 HA GLU A 56 13.508 -0.770 -9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.052 -1.870 -10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.492 -1.480 -11.553 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.382 -3.363 -9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.451 -3.852 -10.852 1.00 0.00 H new ATOM 915 N SER A 57 11.473 1.489 -9.725 1.00 0.00 N ATOM 916 CA SER A 57 11.234 2.844 -10.147 1.00 0.00 C ATOM 917 C SER A 57 12.054 3.817 -9.315 1.00 0.00 C ATOM 918 O SER A 57 12.361 4.932 -9.750 1.00 0.00 O ATOM 919 CB SER A 57 9.739 3.133 -10.005 1.00 0.00 C ATOM 920 OG SER A 57 9.000 2.493 -11.024 1.00 0.00 O ATOM 0 H SER A 57 10.835 1.179 -8.992 1.00 0.00 H new ATOM 0 HA SER A 57 11.537 2.969 -11.186 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.390 2.793 -9.030 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.567 4.209 -10.047 1.00 0.00 H new ATOM 0 HG SER A 57 8.843 1.558 -10.776 1.00 0.00 H new ATOM 926 N ALA A 58 12.391 3.397 -8.137 1.00 0.00 N ATOM 927 CA ALA A 58 13.150 4.194 -7.227 1.00 0.00 C ATOM 928 C ALA A 58 14.591 3.791 -7.212 1.00 0.00 C ATOM 929 O ALA A 58 14.967 2.695 -7.667 1.00 0.00 O ATOM 930 CB ALA A 58 12.596 4.058 -5.852 1.00 0.00 C ATOM 0 H ALA A 58 12.143 2.476 -7.775 1.00 0.00 H new ATOM 0 HA ALA A 58 13.083 5.229 -7.561 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.179 4.668 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.558 4.392 -5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.644 3.014 -5.542 1.00 0.00 H new ATOM 936 N ASN A 59 15.387 4.658 -6.662 1.00 0.00 N ATOM 937 CA ASN A 59 16.809 4.444 -6.550 1.00 0.00 C ATOM 938 C ASN A 59 17.235 4.586 -5.104 1.00 0.00 C ATOM 939 O ASN A 59 18.408 4.789 -4.795 1.00 0.00 O ATOM 940 CB ASN A 59 17.586 5.419 -7.453 1.00 0.00 C ATOM 941 CG ASN A 59 17.407 5.144 -8.947 1.00 0.00 C ATOM 942 OD1 ASN A 59 18.139 4.348 -9.539 1.00 0.00 O ATOM 943 ND2 ASN A 59 16.478 5.815 -9.572 1.00 0.00 N ATOM 0 H ASN A 59 15.069 5.546 -6.272 1.00 0.00 H new ATOM 0 HA ASN A 59 17.040 3.433 -6.886 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.262 6.437 -7.238 1.00 0.00 H new ATOM 0 HB3 ASN A 59 18.646 5.363 -7.206 1.00 0.00 H new ATOM 0 HD21 ASN A 59 16.344 5.687 -10.575 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.886 6.467 -9.057 1.00 0.00 H new ATOM 950 N SER A 60 16.269 4.474 -4.219 1.00 0.00 N ATOM 951 CA SER A 60 16.481 4.458 -2.785 1.00 0.00 C ATOM 952 C SER A 60 15.283 3.811 -2.156 1.00 0.00 C ATOM 953 O SER A 60 14.191 3.845 -2.742 1.00 0.00 O ATOM 954 CB SER A 60 16.631 5.853 -2.224 1.00 0.00 C ATOM 955 OG SER A 60 17.684 6.569 -2.860 1.00 0.00 O ATOM 0 H SER A 60 15.287 4.389 -4.482 1.00 0.00 H new ATOM 0 HA SER A 60 17.399 3.912 -2.569 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.695 6.397 -2.348 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.826 5.795 -1.153 1.00 0.00 H new ATOM 0 HG SER A 60 18.142 5.981 -3.496 1.00 0.00 H new ATOM 961 N ARG A 61 15.446 3.218 -0.990 1.00 0.00 N ATOM 962 CA ARG A 61 14.311 2.561 -0.372 1.00 0.00 C ATOM 963 C ARG A 61 13.321 3.556 0.160 1.00 0.00 C ATOM 964 O ARG A 61 12.153 3.383 0.001 1.00 0.00 O ATOM 965 CB ARG A 61 14.659 1.501 0.687 1.00 0.00 C ATOM 966 CG ARG A 61 15.187 1.996 2.022 1.00 0.00 C ATOM 967 CD ARG A 61 16.478 2.700 1.867 1.00 0.00 C ATOM 968 NE ARG A 61 17.147 2.929 3.144 1.00 0.00 N ATOM 969 CZ ARG A 61 17.840 4.039 3.468 1.00 0.00 C ATOM 970 NH1 ARG A 61 17.819 5.113 2.673 1.00 0.00 N ATOM 971 NH2 ARG A 61 18.524 4.080 4.603 1.00 0.00 N ATOM 0 H ARG A 61 16.320 3.176 -0.466 1.00 0.00 H new ATOM 0 HA ARG A 61 13.850 1.999 -1.184 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.764 0.908 0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.402 0.828 0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.458 2.667 2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.311 1.152 2.701 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.131 2.116 1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.309 3.656 1.372 1.00 0.00 H new ATOM 0 HE ARG A 61 17.085 2.192 3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.275 5.099 1.811 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.347 5.947 2.929 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.525 3.274 5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.050 4.918 4.852 1.00 0.00 H new ATOM 985 N ASP A 62 13.818 4.628 0.736 1.00 0.00 N ATOM 986 CA ASP A 62 12.984 5.695 1.283 1.00 0.00 C ATOM 987 C ASP A 62 12.203 6.349 0.152 1.00 0.00 C ATOM 988 O ASP A 62 11.096 6.815 0.350 1.00 0.00 O ATOM 989 CB ASP A 62 13.875 6.734 1.977 1.00 0.00 C ATOM 990 CG ASP A 62 14.961 7.253 1.063 1.00 0.00 C ATOM 991 OD1 ASP A 62 15.977 6.529 0.877 1.00 0.00 O ATOM 992 OD2 ASP A 62 14.800 8.346 0.478 1.00 0.00 O ATOM 0 H ASP A 62 14.819 4.793 0.843 1.00 0.00 H new ATOM 0 HA ASP A 62 12.285 5.283 2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.261 7.567 2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.329 6.288 2.862 1.00 0.00 H new ATOM 997 N GLU A 63 12.795 6.343 -1.040 1.00 0.00 N ATOM 998 CA GLU A 63 12.156 6.841 -2.234 1.00 0.00 C ATOM 999 C GLU A 63 11.069 5.892 -2.699 1.00 0.00 C ATOM 1000 O GLU A 63 9.933 6.310 -2.932 1.00 0.00 O ATOM 1001 CB GLU A 63 13.178 7.080 -3.342 1.00 0.00 C ATOM 1002 CG GLU A 63 12.553 7.392 -4.690 1.00 0.00 C ATOM 1003 CD GLU A 63 13.545 7.866 -5.687 1.00 0.00 C ATOM 1004 OE1 GLU A 63 14.294 7.042 -6.225 1.00 0.00 O ATOM 1005 OE2 GLU A 63 13.596 9.082 -5.961 1.00 0.00 O ATOM 0 H GLU A 63 13.738 5.988 -1.195 1.00 0.00 H new ATOM 0 HA GLU A 63 11.692 7.797 -1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.828 7.906 -3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.809 6.196 -3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.059 6.499 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.782 8.152 -4.561 1.00 0.00 H new ATOM 1012 N TYR A 64 11.409 4.606 -2.800 1.00 0.00 N ATOM 1013 CA TYR A 64 10.461 3.595 -3.254 1.00 0.00 C ATOM 1014 C TYR A 64 9.280 3.544 -2.299 1.00 0.00 C ATOM 1015 O TYR A 64 8.128 3.525 -2.718 1.00 0.00 O ATOM 1016 CB TYR A 64 11.180 2.211 -3.463 1.00 0.00 C ATOM 1017 CG TYR A 64 10.760 1.056 -2.579 1.00 0.00 C ATOM 1018 CD1 TYR A 64 11.358 0.829 -1.364 1.00 0.00 C ATOM 1019 CD2 TYR A 64 9.772 0.201 -2.974 1.00 0.00 C ATOM 1020 CE1 TYR A 64 10.974 -0.215 -0.561 1.00 0.00 C ATOM 1021 CE2 TYR A 64 9.380 -0.839 -2.196 1.00 0.00 C ATOM 1022 CZ TYR A 64 9.978 -1.046 -0.990 1.00 0.00 C ATOM 1023 OH TYR A 64 9.566 -2.082 -0.211 1.00 0.00 O ATOM 0 H TYR A 64 12.335 4.243 -2.573 1.00 0.00 H new ATOM 0 HA TYR A 64 10.061 3.862 -4.232 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.032 1.910 -4.500 1.00 0.00 H new ATOM 0 HB3 TYR A 64 12.250 2.366 -3.326 1.00 0.00 H new ATOM 0 HD1 TYR A 64 12.148 1.487 -1.033 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.291 0.356 -3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 64 11.451 -0.377 0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 64 8.596 -1.501 -2.532 1.00 0.00 H new ATOM 0 HH TYR A 64 9.107 -2.746 -0.766 1.00 0.00 H new ATOM 1033 N TYR A 65 9.611 3.607 -1.025 1.00 0.00 N ATOM 1034 CA TYR A 65 8.682 3.683 0.075 1.00 0.00 C ATOM 1035 C TYR A 65 7.786 4.905 -0.090 1.00 0.00 C ATOM 1036 O TYR A 65 6.586 4.790 -0.022 1.00 0.00 O ATOM 1037 CB TYR A 65 9.563 3.818 1.339 1.00 0.00 C ATOM 1038 CG TYR A 65 8.960 4.257 2.659 1.00 0.00 C ATOM 1039 CD1 TYR A 65 8.235 5.430 2.782 1.00 0.00 C ATOM 1040 CD2 TYR A 65 9.193 3.537 3.788 1.00 0.00 C ATOM 1041 CE1 TYR A 65 7.751 5.853 3.961 1.00 0.00 C ATOM 1042 CE2 TYR A 65 8.727 3.966 4.989 1.00 0.00 C ATOM 1043 CZ TYR A 65 7.999 5.123 5.075 1.00 0.00 C ATOM 1044 OH TYR A 65 7.560 5.562 6.289 1.00 0.00 O ATOM 0 H TYR A 65 10.584 3.606 -0.718 1.00 0.00 H new ATOM 0 HA TYR A 65 8.030 2.812 0.131 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.033 2.849 1.507 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.360 4.522 1.101 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.052 6.025 1.900 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.754 2.616 3.729 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.172 6.763 4.020 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.931 3.392 5.881 1.00 0.00 H new ATOM 0 HH TYR A 65 6.696 6.012 6.181 1.00 0.00 H new ATOM 1054 N HIS A 66 8.394 6.059 -0.352 1.00 0.00 N ATOM 1055 CA HIS A 66 7.675 7.327 -0.393 1.00 0.00 C ATOM 1056 C HIS A 66 6.688 7.350 -1.521 1.00 0.00 C ATOM 1057 O HIS A 66 5.525 7.623 -1.309 1.00 0.00 O ATOM 1058 CB HIS A 66 8.647 8.519 -0.521 1.00 0.00 C ATOM 1059 CG HIS A 66 8.003 9.879 -0.363 1.00 0.00 C ATOM 1060 ND1 HIS A 66 7.592 10.671 -1.414 1.00 0.00 N ATOM 1061 CD2 HIS A 66 7.724 10.580 0.760 1.00 0.00 C ATOM 1062 CE1 HIS A 66 7.091 11.804 -0.909 1.00 0.00 C ATOM 1063 NE2 HIS A 66 7.148 11.801 0.417 1.00 0.00 N ATOM 0 H HIS A 66 9.393 6.141 -0.541 1.00 0.00 H new ATOM 0 HA HIS A 66 7.134 7.422 0.548 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.431 8.414 0.229 1.00 0.00 H new ATOM 0 HB3 HIS A 66 9.131 8.472 -1.496 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.918 10.244 1.768 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.693 12.614 -1.502 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.836 12.537 1.051 1.00 0.00 H new ATOM 1071 N LEU A 67 7.143 7.017 -2.706 1.00 0.00 N ATOM 1072 CA LEU A 67 6.295 7.086 -3.869 1.00 0.00 C ATOM 1073 C LEU A 67 5.186 6.016 -3.809 1.00 0.00 C ATOM 1074 O LEU A 67 4.051 6.237 -4.287 1.00 0.00 O ATOM 1075 CB LEU A 67 7.145 7.045 -5.165 1.00 0.00 C ATOM 1076 CG LEU A 67 7.846 5.732 -5.528 1.00 0.00 C ATOM 1077 CD1 LEU A 67 6.964 4.888 -6.395 1.00 0.00 C ATOM 1078 CD2 LEU A 67 9.170 5.969 -6.209 1.00 0.00 C ATOM 0 H LEU A 67 8.094 6.696 -2.888 1.00 0.00 H new ATOM 0 HA LEU A 67 5.774 8.044 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.497 7.318 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.908 7.820 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 67 8.044 5.203 -4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.478 3.960 -6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.041 4.660 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.730 5.429 -7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.632 5.011 -6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.011 6.535 -7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.825 6.532 -5.545 1.00 0.00 H new ATOM 1090 N LEU A 68 5.483 4.876 -3.177 1.00 0.00 N ATOM 1091 CA LEU A 68 4.471 3.862 -3.023 1.00 0.00 C ATOM 1092 C LEU A 68 3.488 4.315 -1.964 1.00 0.00 C ATOM 1093 O LEU A 68 2.278 4.096 -2.098 1.00 0.00 O ATOM 1094 CB LEU A 68 5.070 2.449 -2.742 1.00 0.00 C ATOM 1095 CG LEU A 68 5.556 2.068 -1.317 1.00 0.00 C ATOM 1096 CD1 LEU A 68 4.403 1.671 -0.397 1.00 0.00 C ATOM 1097 CD2 LEU A 68 6.572 0.949 -1.391 1.00 0.00 C ATOM 0 H LEU A 68 6.394 4.648 -2.778 1.00 0.00 H new ATOM 0 HA LEU A 68 3.937 3.743 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.316 1.717 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.916 2.319 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 68 6.022 2.955 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.795 1.414 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.708 2.505 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.882 0.810 -0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.904 0.692 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.117 0.075 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.427 1.273 -1.984 1.00 0.00 H new ATOM 1109 N ALA A 69 4.010 5.010 -0.934 1.00 0.00 N ATOM 1110 CA ALA A 69 3.206 5.555 0.115 1.00 0.00 C ATOM 1111 C ALA A 69 2.277 6.630 -0.445 1.00 0.00 C ATOM 1112 O ALA A 69 1.193 6.815 0.053 1.00 0.00 O ATOM 1113 CB ALA A 69 4.082 6.086 1.249 1.00 0.00 C ATOM 0 H ALA A 69 5.008 5.196 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 69 2.585 4.765 0.537 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.449 6.496 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.685 5.273 1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.738 6.868 0.866 1.00 0.00 H new ATOM 1119 N GLU A 70 2.702 7.283 -1.518 1.00 0.00 N ATOM 1120 CA GLU A 70 1.892 8.284 -2.206 1.00 0.00 C ATOM 1121 C GLU A 70 0.751 7.636 -3.007 1.00 0.00 C ATOM 1122 O GLU A 70 -0.393 8.127 -3.005 1.00 0.00 O ATOM 1123 CB GLU A 70 2.755 9.137 -3.134 1.00 0.00 C ATOM 1124 CG GLU A 70 3.816 9.944 -2.414 1.00 0.00 C ATOM 1125 CD GLU A 70 3.230 10.914 -1.422 1.00 0.00 C ATOM 1126 OE1 GLU A 70 2.809 12.024 -1.836 1.00 0.00 O ATOM 1127 OE2 GLU A 70 3.190 10.590 -0.217 1.00 0.00 O ATOM 0 H GLU A 70 3.620 7.135 -1.938 1.00 0.00 H new ATOM 0 HA GLU A 70 1.452 8.923 -1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.239 8.487 -3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.110 9.817 -3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.495 9.266 -1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.410 10.492 -3.146 1.00 0.00 H new ATOM 1134 N LYS A 71 1.031 6.538 -3.706 1.00 0.00 N ATOM 1135 CA LYS A 71 -0.042 5.898 -4.464 1.00 0.00 C ATOM 1136 C LYS A 71 -1.052 5.237 -3.518 1.00 0.00 C ATOM 1137 O LYS A 71 -2.264 5.287 -3.746 1.00 0.00 O ATOM 1138 CB LYS A 71 0.475 4.937 -5.593 1.00 0.00 C ATOM 1139 CG LYS A 71 1.125 3.609 -5.157 1.00 0.00 C ATOM 1140 CD LYS A 71 0.102 2.502 -4.789 1.00 0.00 C ATOM 1141 CE LYS A 71 -0.571 1.815 -6.008 1.00 0.00 C ATOM 1142 NZ LYS A 71 -1.402 2.709 -6.864 1.00 0.00 N ATOM 0 H LYS A 71 1.945 6.090 -3.764 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.568 6.684 -5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.366 4.701 -6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.201 5.485 -6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.764 3.247 -5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.769 3.795 -4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.607 1.742 -4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.674 2.937 -4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.206 1.367 -6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.198 1.001 -5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.953 2.135 -7.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.050 3.260 -6.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.783 3.357 -7.392 1.00 0.00 H new ATOM 1156 N ILE A 72 -0.559 4.660 -2.439 1.00 0.00 N ATOM 1157 CA ILE A 72 -1.431 4.023 -1.479 1.00 0.00 C ATOM 1158 C ILE A 72 -2.266 5.105 -0.759 1.00 0.00 C ATOM 1159 O ILE A 72 -3.446 4.921 -0.505 1.00 0.00 O ATOM 1160 CB ILE A 72 -0.632 3.114 -0.487 1.00 0.00 C ATOM 1161 CG1 ILE A 72 -1.550 2.342 0.400 1.00 0.00 C ATOM 1162 CG2 ILE A 72 0.332 3.880 0.344 1.00 0.00 C ATOM 1163 CD1 ILE A 72 -0.851 1.623 1.539 1.00 0.00 C ATOM 0 H ILE A 72 0.434 4.621 -2.209 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.116 3.354 -1.999 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.062 2.423 -1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.293 3.022 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.089 1.610 -0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.858 3.199 1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.052 4.381 -0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.205 4.623 0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.587 1.086 2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.127 0.916 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.335 2.350 2.166 1.00 0.00 H new ATOM 1175 N TYR A 73 -1.626 6.247 -0.519 1.00 0.00 N ATOM 1176 CA TYR A 73 -2.232 7.468 0.026 1.00 0.00 C ATOM 1177 C TYR A 73 -3.472 7.855 -0.765 1.00 0.00 C ATOM 1178 O TYR A 73 -4.574 8.000 -0.189 1.00 0.00 O ATOM 1179 CB TYR A 73 -1.134 8.569 -0.032 1.00 0.00 C ATOM 1180 CG TYR A 73 -1.522 10.035 -0.076 1.00 0.00 C ATOM 1181 CD1 TYR A 73 -1.933 10.619 -1.268 1.00 0.00 C ATOM 1182 CD2 TYR A 73 -1.401 10.844 1.033 1.00 0.00 C ATOM 1183 CE1 TYR A 73 -2.216 11.947 -1.349 1.00 0.00 C ATOM 1184 CE2 TYR A 73 -1.694 12.187 0.959 1.00 0.00 C ATOM 1185 CZ TYR A 73 -2.100 12.726 -0.239 1.00 0.00 C ATOM 1186 OH TYR A 73 -2.375 14.055 -0.328 1.00 0.00 O ATOM 0 H TYR A 73 -0.629 6.355 -0.705 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.567 7.324 1.053 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.492 8.431 0.838 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.524 8.370 -0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.030 10.004 -2.151 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.073 10.420 1.970 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.530 12.380 -2.287 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.606 12.812 1.835 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.247 14.475 0.548 1.00 0.00 H new ATOM 1196 N LYS A 74 -3.314 7.981 -2.082 1.00 0.00 N ATOM 1197 CA LYS A 74 -4.415 8.400 -2.917 1.00 0.00 C ATOM 1198 C LYS A 74 -5.498 7.354 -2.948 1.00 0.00 C ATOM 1199 O LYS A 74 -6.644 7.692 -3.005 1.00 0.00 O ATOM 1200 CB LYS A 74 -3.976 8.806 -4.332 1.00 0.00 C ATOM 1201 CG LYS A 74 -3.496 7.670 -5.226 1.00 0.00 C ATOM 1202 CD LYS A 74 -3.017 8.186 -6.590 1.00 0.00 C ATOM 1203 CE LYS A 74 -1.872 9.196 -6.471 1.00 0.00 C ATOM 1204 NZ LYS A 74 -1.489 9.772 -7.785 1.00 0.00 N ATOM 0 H LYS A 74 -2.442 7.799 -2.579 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.827 9.301 -2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.813 9.302 -4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.175 9.540 -4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.683 7.137 -4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.305 6.954 -5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.690 7.343 -7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.853 8.651 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.168 10.000 -5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.006 8.708 -6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.711 10.449 -7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.180 9.010 -8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.307 10.261 -8.201 1.00 0.00 H new ATOM 1218 N ILE A 75 -5.121 6.083 -2.862 1.00 0.00 N ATOM 1219 CA ILE A 75 -6.090 5.008 -2.835 1.00 0.00 C ATOM 1220 C ILE A 75 -6.976 5.098 -1.585 1.00 0.00 C ATOM 1221 O ILE A 75 -8.199 4.970 -1.678 1.00 0.00 O ATOM 1222 CB ILE A 75 -5.395 3.602 -2.962 1.00 0.00 C ATOM 1223 CG1 ILE A 75 -5.338 3.119 -4.419 1.00 0.00 C ATOM 1224 CG2 ILE A 75 -6.048 2.549 -2.087 1.00 0.00 C ATOM 1225 CD1 ILE A 75 -4.641 4.049 -5.386 1.00 0.00 C ATOM 0 H ILE A 75 -4.149 5.778 -2.810 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.739 5.120 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.374 3.743 -2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.834 2.153 -4.444 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.357 2.956 -4.770 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.530 1.599 -2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.992 2.857 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.093 2.433 -2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.657 3.614 -6.385 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.155 5.010 -5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.608 4.195 -5.070 1.00 0.00 H new ATOM 1237 N GLN A 76 -6.352 5.381 -0.444 1.00 0.00 N ATOM 1238 CA GLN A 76 -7.062 5.450 0.829 1.00 0.00 C ATOM 1239 C GLN A 76 -8.077 6.569 0.815 1.00 0.00 C ATOM 1240 O GLN A 76 -9.284 6.361 1.066 1.00 0.00 O ATOM 1241 CB GLN A 76 -6.089 5.640 1.995 1.00 0.00 C ATOM 1242 CG GLN A 76 -5.026 4.572 2.061 1.00 0.00 C ATOM 1243 CD GLN A 76 -4.262 4.555 3.366 1.00 0.00 C ATOM 1244 OE1 GLN A 76 -4.776 4.917 4.408 1.00 0.00 O ATOM 1245 NE2 GLN A 76 -3.025 4.115 3.319 1.00 0.00 N ATOM 0 H GLN A 76 -5.351 5.567 -0.376 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.584 4.503 0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.610 6.615 1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.649 5.645 2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.492 3.598 1.910 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.324 4.720 1.241 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.623 3.819 2.430 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.467 4.070 4.172 1.00 0.00 H new ATOM 1254 N LYS A 77 -7.625 7.745 0.462 1.00 0.00 N ATOM 1255 CA LYS A 77 -8.507 8.852 0.454 1.00 0.00 C ATOM 1256 C LYS A 77 -9.525 8.771 -0.682 1.00 0.00 C ATOM 1257 O LYS A 77 -10.628 9.284 -0.541 1.00 0.00 O ATOM 1258 CB LYS A 77 -7.732 10.132 0.449 1.00 0.00 C ATOM 1259 CG LYS A 77 -6.695 10.209 -0.638 1.00 0.00 C ATOM 1260 CD LYS A 77 -6.049 11.553 -0.663 1.00 0.00 C ATOM 1261 CE LYS A 77 -5.448 11.959 0.681 1.00 0.00 C ATOM 1262 NZ LYS A 77 -5.080 13.410 0.706 1.00 0.00 N ATOM 0 H LYS A 77 -6.665 7.946 0.183 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.095 8.827 1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.425 10.965 0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.242 10.253 1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.939 9.440 -0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.159 10.006 -1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.265 11.558 -1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.786 12.297 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.163 11.751 1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.563 11.355 0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.149 13.769 1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.105 13.527 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.729 13.943 0.093 1.00 0.00 H new ATOM 1276 N GLU A 78 -9.156 8.098 -1.780 1.00 0.00 N ATOM 1277 CA GLU A 78 -10.043 7.917 -2.930 1.00 0.00 C ATOM 1278 C GLU A 78 -11.282 7.180 -2.487 1.00 0.00 C ATOM 1279 O GLU A 78 -12.403 7.647 -2.698 1.00 0.00 O ATOM 1280 CB GLU A 78 -9.367 7.074 -4.013 1.00 0.00 C ATOM 1281 CG GLU A 78 -10.049 7.129 -5.360 1.00 0.00 C ATOM 1282 CD GLU A 78 -9.848 8.452 -6.040 1.00 0.00 C ATOM 1283 OE1 GLU A 78 -10.575 9.413 -5.736 1.00 0.00 O ATOM 1284 OE2 GLU A 78 -8.960 8.544 -6.917 1.00 0.00 O ATOM 0 H GLU A 78 -8.239 7.667 -1.893 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.286 8.902 -3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.336 7.409 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.330 6.037 -3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.661 6.333 -5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.116 6.945 -5.234 1.00 0.00 H new ATOM 1291 N LEU A 79 -11.070 6.040 -1.832 1.00 0.00 N ATOM 1292 CA LEU A 79 -12.161 5.220 -1.373 1.00 0.00 C ATOM 1293 C LEU A 79 -13.013 5.970 -0.376 1.00 0.00 C ATOM 1294 O LEU A 79 -14.257 5.955 -0.472 1.00 0.00 O ATOM 1295 CB LEU A 79 -11.673 3.830 -0.876 1.00 0.00 C ATOM 1296 CG LEU A 79 -10.653 3.764 0.271 1.00 0.00 C ATOM 1297 CD1 LEU A 79 -11.326 3.816 1.640 1.00 0.00 C ATOM 1298 CD2 LEU A 79 -9.782 2.533 0.135 1.00 0.00 C ATOM 0 H LEU A 79 -10.144 5.672 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.811 5.000 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.552 3.264 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.242 3.308 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.018 4.647 0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.567 3.767 2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.885 4.747 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.008 2.972 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.065 2.502 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.407 1.640 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.246 2.569 -0.814 1.00 0.00 H new ATOM 1310 N GLU A 80 -12.352 6.693 0.528 1.00 0.00 N ATOM 1311 CA GLU A 80 -13.054 7.502 1.492 1.00 0.00 C ATOM 1312 C GLU A 80 -13.940 8.552 0.829 1.00 0.00 C ATOM 1313 O GLU A 80 -15.140 8.590 1.076 1.00 0.00 O ATOM 1314 CB GLU A 80 -12.102 8.190 2.444 1.00 0.00 C ATOM 1315 CG GLU A 80 -11.508 7.319 3.524 1.00 0.00 C ATOM 1316 CD GLU A 80 -10.763 8.165 4.522 1.00 0.00 C ATOM 1317 OE1 GLU A 80 -11.397 9.059 5.144 1.00 0.00 O ATOM 1318 OE2 GLU A 80 -9.569 7.985 4.716 1.00 0.00 O ATOM 0 H GLU A 80 -11.335 6.727 0.603 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.687 6.814 2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.287 8.623 1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.629 9.017 2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.298 6.761 4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.833 6.587 3.081 1.00 0.00 H new ATOM 1325 N GLU A 81 -13.374 9.356 -0.056 1.00 0.00 N ATOM 1326 CA GLU A 81 -14.115 10.453 -0.642 1.00 0.00 C ATOM 1327 C GLU A 81 -15.183 9.971 -1.595 1.00 0.00 C ATOM 1328 O GLU A 81 -16.270 10.524 -1.622 1.00 0.00 O ATOM 1329 CB GLU A 81 -13.207 11.486 -1.331 1.00 0.00 C ATOM 1330 CG GLU A 81 -12.385 10.941 -2.481 1.00 0.00 C ATOM 1331 CD GLU A 81 -11.608 12.003 -3.184 1.00 0.00 C ATOM 1332 OE1 GLU A 81 -10.503 12.368 -2.716 1.00 0.00 O ATOM 1333 OE2 GLU A 81 -12.072 12.496 -4.223 1.00 0.00 O ATOM 0 H GLU A 81 -12.411 9.268 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.604 10.955 0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.826 12.304 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.531 11.908 -0.587 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.699 10.182 -2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.046 10.448 -3.194 1.00 0.00 H new ATOM 1340 N LYS A 82 -14.899 8.915 -2.344 1.00 0.00 N ATOM 1341 CA LYS A 82 -15.831 8.449 -3.343 1.00 0.00 C ATOM 1342 C LYS A 82 -17.060 7.836 -2.698 1.00 0.00 C ATOM 1343 O LYS A 82 -18.168 7.966 -3.211 1.00 0.00 O ATOM 1344 CB LYS A 82 -15.144 7.502 -4.390 1.00 0.00 C ATOM 1345 CG LYS A 82 -14.825 6.040 -3.961 1.00 0.00 C ATOM 1346 CD LYS A 82 -16.075 5.146 -3.913 1.00 0.00 C ATOM 1347 CE LYS A 82 -16.764 5.073 -5.269 1.00 0.00 C ATOM 1348 NZ LYS A 82 -18.086 4.425 -5.218 1.00 0.00 N ATOM 0 H LYS A 82 -14.037 8.374 -2.275 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.176 9.313 -3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.785 7.458 -5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.209 7.970 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.104 5.611 -4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.353 6.049 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -15.794 4.143 -3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.772 5.534 -3.170 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.877 6.082 -5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.126 4.527 -5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -18.501 4.407 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -17.982 3.451 -4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -18.710 4.958 -4.579 1.00 0.00 H new ATOM 1587 N THR B 110 0.924 11.777 7.828 1.00 0.00 N ATOM 1588 CA THR B 110 0.372 10.715 8.643 1.00 0.00 C ATOM 1589 C THR B 110 0.442 9.342 7.926 1.00 0.00 C ATOM 1590 O THR B 110 0.559 8.308 8.579 1.00 0.00 O ATOM 1591 CB THR B 110 -1.072 11.047 9.157 1.00 0.00 C ATOM 1592 OG1 THR B 110 -1.550 10.003 10.022 1.00 0.00 O ATOM 1593 CG2 THR B 110 -2.054 11.241 8.007 1.00 0.00 C ATOM 0 HA THR B 110 1.001 10.639 9.530 1.00 0.00 H new ATOM 0 HB THR B 110 -1.008 11.983 9.712 1.00 0.00 H new ATOM 0 HG1 THR B 110 -2.451 10.225 10.336 1.00 0.00 H new ATOM 0 HG21 THR B 110 -3.042 11.469 8.407 1.00 0.00 H new ATOM 0 HG22 THR B 110 -1.718 12.065 7.377 1.00 0.00 H new ATOM 0 HG23 THR B 110 -2.105 10.328 7.414 1.00 0.00 H new ATOM 1601 N LEU B 111 0.434 9.348 6.591 1.00 0.00 N ATOM 1602 CA LEU B 111 0.558 8.109 5.814 1.00 0.00 C ATOM 1603 C LEU B 111 1.985 7.591 5.923 1.00 0.00 C ATOM 1604 O LEU B 111 2.218 6.424 6.268 1.00 0.00 O ATOM 1605 CB LEU B 111 0.189 8.307 4.314 1.00 0.00 C ATOM 1606 CG LEU B 111 -1.305 8.448 3.922 1.00 0.00 C ATOM 1607 CD1 LEU B 111 -2.103 7.227 4.335 1.00 0.00 C ATOM 1608 CD2 LEU B 111 -1.936 9.724 4.462 1.00 0.00 C ATOM 0 H LEU B 111 0.343 10.192 6.026 1.00 0.00 H new ATOM 0 HA LEU B 111 -0.146 7.388 6.228 1.00 0.00 H new ATOM 0 HB2 LEU B 111 0.708 9.199 3.962 1.00 0.00 H new ATOM 0 HB3 LEU B 111 0.597 7.462 3.760 1.00 0.00 H new ATOM 0 HG LEU B 111 -1.333 8.520 2.835 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -3.146 7.359 4.045 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -1.698 6.344 3.841 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -2.040 7.100 5.416 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -2.981 9.770 4.157 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -1.875 9.728 5.550 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -1.404 10.589 4.066 1.00 0.00 H new ATOM 1620 N GLN B 112 2.931 8.487 5.670 1.00 0.00 N ATOM 1621 CA GLN B 112 4.348 8.178 5.744 1.00 0.00 C ATOM 1622 C GLN B 112 4.704 7.752 7.159 1.00 0.00 C ATOM 1623 O GLN B 112 5.409 6.763 7.366 1.00 0.00 O ATOM 1624 CB GLN B 112 5.178 9.405 5.371 1.00 0.00 C ATOM 1625 CG GLN B 112 4.896 9.980 3.994 1.00 0.00 C ATOM 1626 CD GLN B 112 5.310 9.062 2.883 1.00 0.00 C ATOM 1627 OE1 GLN B 112 6.249 8.293 3.018 1.00 0.00 O ATOM 1628 NE2 GLN B 112 4.647 9.142 1.778 1.00 0.00 N ATOM 0 H GLN B 112 2.733 9.452 5.407 1.00 0.00 H new ATOM 0 HA GLN B 112 4.566 7.370 5.046 1.00 0.00 H new ATOM 0 HB2 GLN B 112 5.003 10.182 6.115 1.00 0.00 H new ATOM 0 HB3 GLN B 112 6.234 9.141 5.428 1.00 0.00 H new ATOM 0 HG2 GLN B 112 3.830 10.192 3.905 1.00 0.00 H new ATOM 0 HG3 GLN B 112 5.420 10.930 3.888 1.00 0.00 H new ATOM 0 HE21 GLN B 112 3.867 9.795 1.697 1.00 0.00 H new ATOM 0 HE22 GLN B 112 4.903 8.552 0.986 1.00 0.00 H new ATOM 1637 N ASP B 113 4.184 8.499 8.123 1.00 0.00 N ATOM 1638 CA ASP B 113 4.406 8.236 9.540 1.00 0.00 C ATOM 1639 C ASP B 113 3.872 6.875 9.930 1.00 0.00 C ATOM 1640 O ASP B 113 4.570 6.102 10.566 1.00 0.00 O ATOM 1641 CB ASP B 113 3.754 9.314 10.406 1.00 0.00 C ATOM 1642 CG ASP B 113 3.921 9.068 11.888 1.00 0.00 C ATOM 1643 OD1 ASP B 113 4.914 9.559 12.481 1.00 0.00 O ATOM 1644 OD2 ASP B 113 3.049 8.417 12.494 1.00 0.00 O ATOM 0 H ASP B 113 3.592 9.310 7.944 1.00 0.00 H new ATOM 0 HA ASP B 113 5.482 8.252 9.710 1.00 0.00 H new ATOM 0 HB2 ASP B 113 4.185 10.283 10.154 1.00 0.00 H new ATOM 0 HB3 ASP B 113 2.691 9.367 10.170 1.00 0.00 H new ATOM 1649 N LEU B 114 2.642 6.570 9.499 1.00 0.00 N ATOM 1650 CA LEU B 114 2.005 5.290 9.800 1.00 0.00 C ATOM 1651 C LEU B 114 2.879 4.149 9.308 1.00 0.00 C ATOM 1652 O LEU B 114 3.065 3.148 10.011 1.00 0.00 O ATOM 1653 CB LEU B 114 0.612 5.206 9.161 1.00 0.00 C ATOM 1654 CG LEU B 114 -0.205 3.939 9.457 1.00 0.00 C ATOM 1655 CD1 LEU B 114 -0.503 3.815 10.946 1.00 0.00 C ATOM 1656 CD2 LEU B 114 -1.494 3.936 8.651 1.00 0.00 C ATOM 0 H LEU B 114 2.068 7.199 8.938 1.00 0.00 H new ATOM 0 HA LEU B 114 1.887 5.210 10.881 1.00 0.00 H new ATOM 0 HB2 LEU B 114 0.033 6.069 9.490 1.00 0.00 H new ATOM 0 HB3 LEU B 114 0.727 5.293 8.081 1.00 0.00 H new ATOM 0 HG LEU B 114 0.391 3.076 9.161 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -1.082 2.910 11.127 1.00 0.00 H new ATOM 0 HD12 LEU B 114 0.433 3.764 11.501 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -1.074 4.683 11.276 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -2.060 3.031 8.873 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -2.089 4.810 8.914 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -1.258 3.964 7.587 1.00 0.00 H new ATOM 1668 N LEU B 115 3.440 4.322 8.119 1.00 0.00 N ATOM 1669 CA LEU B 115 4.353 3.351 7.570 1.00 0.00 C ATOM 1670 C LEU B 115 5.579 3.150 8.443 1.00 0.00 C ATOM 1671 O LEU B 115 5.775 2.067 8.980 1.00 0.00 O ATOM 1672 CB LEU B 115 4.766 3.677 6.128 1.00 0.00 C ATOM 1673 CG LEU B 115 3.794 3.279 5.024 1.00 0.00 C ATOM 1674 CD1 LEU B 115 4.352 3.681 3.686 1.00 0.00 C ATOM 1675 CD2 LEU B 115 3.538 1.784 5.042 1.00 0.00 C ATOM 0 H LEU B 115 3.273 5.131 7.521 1.00 0.00 H new ATOM 0 HA LEU B 115 3.801 2.412 7.550 1.00 0.00 H new ATOM 0 HB2 LEU B 115 4.936 4.751 6.059 1.00 0.00 H new ATOM 0 HB3 LEU B 115 5.721 3.190 5.931 1.00 0.00 H new ATOM 0 HG LEU B 115 2.849 3.794 5.196 1.00 0.00 H new ATOM 0 HD11 LEU B 115 3.654 3.394 2.900 1.00 0.00 H new ATOM 0 HD12 LEU B 115 4.501 4.761 3.663 1.00 0.00 H new ATOM 0 HD13 LEU B 115 5.306 3.180 3.524 1.00 0.00 H new ATOM 0 HD21 LEU B 115 2.841 1.525 4.245 1.00 0.00 H new ATOM 0 HD22 LEU B 115 4.477 1.252 4.890 1.00 0.00 H new ATOM 0 HD23 LEU B 115 3.111 1.499 6.004 1.00 0.00 H new ATOM 1687 N THR B 116 6.365 4.192 8.630 1.00 0.00 N ATOM 1688 CA THR B 116 7.613 4.080 9.370 1.00 0.00 C ATOM 1689 C THR B 116 7.384 3.694 10.841 1.00 0.00 C ATOM 1690 O THR B 116 8.246 3.069 11.461 1.00 0.00 O ATOM 1691 CB THR B 116 8.497 5.370 9.252 1.00 0.00 C ATOM 1692 OG1 THR B 116 9.759 5.176 9.905 1.00 0.00 O ATOM 1693 CG2 THR B 116 7.810 6.590 9.854 1.00 0.00 C ATOM 0 H THR B 116 6.164 5.129 8.280 1.00 0.00 H new ATOM 0 HA THR B 116 8.168 3.267 8.903 1.00 0.00 H new ATOM 0 HB THR B 116 8.652 5.551 8.188 1.00 0.00 H new ATOM 0 HG1 THR B 116 10.299 5.989 9.821 1.00 0.00 H new ATOM 0 HG21 THR B 116 8.458 7.460 9.750 1.00 0.00 H new ATOM 0 HG22 THR B 116 6.870 6.773 9.333 1.00 0.00 H new ATOM 0 HG23 THR B 116 7.610 6.411 10.910 1.00 0.00 H new ATOM 1701 N SER B 117 6.235 4.035 11.369 1.00 0.00 N ATOM 1702 CA SER B 117 5.906 3.737 12.741 1.00 0.00 C ATOM 1703 C SER B 117 5.580 2.252 12.891 1.00 0.00 C ATOM 1704 O SER B 117 6.241 1.529 13.653 1.00 0.00 O ATOM 1705 CB SER B 117 4.718 4.615 13.200 1.00 0.00 C ATOM 1706 OG SER B 117 4.366 4.409 14.567 1.00 0.00 O ATOM 0 H SER B 117 5.501 4.527 10.860 1.00 0.00 H new ATOM 0 HA SER B 117 6.764 3.962 13.375 1.00 0.00 H new ATOM 0 HB2 SER B 117 4.970 5.665 13.050 1.00 0.00 H new ATOM 0 HB3 SER B 117 3.853 4.402 12.572 1.00 0.00 H new ATOM 0 HG SER B 117 3.612 4.990 14.802 1.00 0.00 H new ATOM 1712 N ASP B 118 4.615 1.784 12.120 1.00 0.00 N ATOM 1713 CA ASP B 118 4.136 0.418 12.266 1.00 0.00 C ATOM 1714 C ASP B 118 5.103 -0.599 11.664 1.00 0.00 C ATOM 1715 O ASP B 118 5.404 -1.621 12.292 1.00 0.00 O ATOM 1716 CB ASP B 118 2.734 0.264 11.652 1.00 0.00 C ATOM 1717 CG ASP B 118 2.104 -1.085 11.940 1.00 0.00 C ATOM 1718 OD1 ASP B 118 1.755 -1.348 13.108 1.00 0.00 O ATOM 1719 OD2 ASP B 118 1.898 -1.890 11.017 1.00 0.00 O ATOM 0 H ASP B 118 4.149 2.324 11.391 1.00 0.00 H new ATOM 0 HA ASP B 118 4.075 0.211 13.335 1.00 0.00 H new ATOM 0 HB2 ASP B 118 2.086 1.051 12.038 1.00 0.00 H new ATOM 0 HB3 ASP B 118 2.799 0.405 10.573 1.00 0.00 H new ATOM 1724 N SER B 119 5.652 -0.278 10.502 1.00 0.00 N ATOM 1725 CA SER B 119 6.490 -1.213 9.758 1.00 0.00 C ATOM 1726 C SER B 119 7.820 -1.495 10.450 1.00 0.00 C ATOM 1727 O SER B 119 8.136 -2.650 10.750 1.00 0.00 O ATOM 1728 CB SER B 119 6.735 -0.694 8.330 1.00 0.00 C ATOM 1729 OG SER B 119 7.447 -1.631 7.556 1.00 0.00 O ATOM 0 H SER B 119 5.532 0.628 10.050 1.00 0.00 H new ATOM 0 HA SER B 119 5.946 -2.157 9.716 1.00 0.00 H new ATOM 0 HB2 SER B 119 5.780 -0.476 7.852 1.00 0.00 H new ATOM 0 HB3 SER B 119 7.291 0.242 8.372 1.00 0.00 H new ATOM 0 HG SER B 119 7.419 -2.507 7.995 1.00 0.00 H new ATOM 1958 N MET B 141 -13.916 0.397 -5.232 1.00 0.00 N ATOM 1959 CA MET B 141 -12.600 0.615 -5.796 1.00 0.00 C ATOM 1960 C MET B 141 -12.258 -0.431 -6.841 1.00 0.00 C ATOM 1961 O MET B 141 -11.558 -0.129 -7.802 1.00 0.00 O ATOM 1962 CB MET B 141 -11.548 0.586 -4.681 1.00 0.00 C ATOM 1963 CG MET B 141 -11.692 1.705 -3.672 1.00 0.00 C ATOM 1964 SD MET B 141 -11.265 3.325 -4.352 1.00 0.00 S ATOM 1965 CE MET B 141 -9.480 3.171 -4.470 1.00 0.00 C ATOM 0 HA MET B 141 -12.603 1.590 -6.282 1.00 0.00 H new ATOM 0 HB2 MET B 141 -11.611 -0.370 -4.160 1.00 0.00 H new ATOM 0 HB3 MET B 141 -10.556 0.640 -5.129 1.00 0.00 H new ATOM 0 HG2 MET B 141 -12.719 1.729 -3.308 1.00 0.00 H new ATOM 0 HG3 MET B 141 -11.054 1.497 -2.813 1.00 0.00 H new ATOM 0 HE1 MET B 141 -9.079 4.013 -5.034 1.00 0.00 H new ATOM 0 HE2 MET B 141 -9.048 3.166 -3.469 1.00 0.00 H new ATOM 0 HE3 MET B 141 -9.228 2.241 -4.979 1.00 0.00 H new ATOM 1975 N GLU B 142 -12.796 -1.646 -6.668 1.00 0.00 N ATOM 1976 CA GLU B 142 -12.463 -2.816 -7.502 1.00 0.00 C ATOM 1977 C GLU B 142 -12.459 -2.604 -9.036 1.00 0.00 C ATOM 1978 O GLU B 142 -11.734 -3.286 -9.726 1.00 0.00 O ATOM 1979 CB GLU B 142 -13.209 -4.106 -7.077 1.00 0.00 C ATOM 1980 CG GLU B 142 -12.756 -4.643 -5.705 1.00 0.00 C ATOM 1981 CD GLU B 142 -13.319 -6.017 -5.354 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -14.398 -6.109 -4.729 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -12.659 -7.026 -5.665 1.00 0.00 O ATOM 0 H GLU B 142 -13.481 -1.849 -5.940 1.00 0.00 H new ATOM 0 HA GLU B 142 -11.407 -2.962 -7.276 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -14.280 -3.906 -7.046 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -13.050 -4.876 -7.832 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -11.667 -4.694 -5.689 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -13.053 -3.933 -4.933 1.00 0.00 H new ATOM 1990 N SER B 143 -13.235 -1.671 -9.559 1.00 0.00 N ATOM 1991 CA SER B 143 -13.213 -1.405 -10.998 1.00 0.00 C ATOM 1992 C SER B 143 -11.911 -0.644 -11.404 1.00 0.00 C ATOM 1993 O SER B 143 -11.179 -1.066 -12.317 1.00 0.00 O ATOM 1994 CB SER B 143 -14.475 -0.644 -11.434 1.00 0.00 C ATOM 1995 OG SER B 143 -14.551 -0.529 -12.849 1.00 0.00 O ATOM 0 H SER B 143 -13.881 -1.090 -9.024 1.00 0.00 H new ATOM 0 HA SER B 143 -13.210 -2.360 -11.523 1.00 0.00 H new ATOM 0 HB2 SER B 143 -15.360 -1.161 -11.062 1.00 0.00 H new ATOM 0 HB3 SER B 143 -14.475 0.350 -10.987 1.00 0.00 H new ATOM 0 HG SER B 143 -15.365 -0.042 -13.094 1.00 0.00 H new ATOM 2001 N ILE B 144 -11.580 0.437 -10.695 1.00 0.00 N ATOM 2002 CA ILE B 144 -10.350 1.168 -11.007 1.00 0.00 C ATOM 2003 C ILE B 144 -9.136 0.374 -10.538 1.00 0.00 C ATOM 2004 O ILE B 144 -8.027 0.487 -11.072 1.00 0.00 O ATOM 2005 CB ILE B 144 -10.351 2.675 -10.527 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.627 2.871 -9.011 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -11.340 3.488 -11.340 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -9.448 2.601 -8.097 1.00 0.00 C ATOM 0 H ILE B 144 -12.128 0.817 -9.923 1.00 0.00 H new ATOM 0 HA ILE B 144 -10.292 1.256 -12.092 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.335 3.031 -10.694 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.964 3.895 -8.849 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -11.448 2.216 -8.720 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -11.329 4.523 -10.998 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -11.062 3.451 -12.393 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -12.341 3.075 -11.214 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -9.745 2.766 -7.061 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -9.121 1.569 -8.220 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -8.629 3.274 -8.351 1.00 0.00 H new ATOM 2020 N ILE B 145 -9.380 -0.470 -9.563 1.00 0.00 N ATOM 2021 CA ILE B 145 -8.403 -1.407 -9.092 1.00 0.00 C ATOM 2022 C ILE B 145 -8.187 -2.486 -10.140 1.00 0.00 C ATOM 2023 O ILE B 145 -7.076 -2.942 -10.325 1.00 0.00 O ATOM 2024 CB ILE B 145 -8.825 -2.011 -7.733 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -8.690 -0.970 -6.602 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -8.156 -3.349 -7.410 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -7.333 -0.277 -6.525 1.00 0.00 C ATOM 0 H ILE B 145 -10.273 -0.521 -9.073 1.00 0.00 H new ATOM 0 HA ILE B 145 -7.459 -0.887 -8.930 1.00 0.00 H new ATOM 0 HB ILE B 145 -9.882 -2.264 -7.819 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -9.462 -0.212 -6.732 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -8.885 -1.463 -5.649 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -8.505 -3.706 -6.441 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -8.412 -4.079 -8.178 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -7.074 -3.217 -7.380 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -7.335 0.436 -5.700 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -6.553 -1.021 -6.360 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -7.140 0.250 -7.460 1.00 0.00 H new ATOM 2039 N ARG B 146 -9.260 -2.862 -10.842 1.00 0.00 N ATOM 2040 CA ARG B 146 -9.174 -3.810 -11.944 1.00 0.00 C ATOM 2041 C ARG B 146 -8.231 -3.250 -12.985 1.00 0.00 C ATOM 2042 O ARG B 146 -7.392 -3.969 -13.527 1.00 0.00 O ATOM 2043 CB ARG B 146 -10.556 -4.071 -12.556 1.00 0.00 C ATOM 2044 CG ARG B 146 -10.572 -5.132 -13.642 1.00 0.00 C ATOM 2045 CD ARG B 146 -11.979 -5.353 -14.157 1.00 0.00 C ATOM 2046 NE ARG B 146 -12.041 -6.428 -15.148 1.00 0.00 N ATOM 2047 CZ ARG B 146 -13.060 -7.284 -15.284 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -14.156 -7.137 -14.554 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -12.981 -8.265 -16.172 1.00 0.00 N ATOM 0 H ARG B 146 -10.203 -2.518 -10.660 1.00 0.00 H new ATOM 0 HA ARG B 146 -8.797 -4.763 -11.574 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -11.240 -4.371 -11.762 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -10.938 -3.138 -12.971 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -9.923 -4.828 -14.463 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -10.173 -6.067 -13.249 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -12.637 -5.593 -13.321 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -12.351 -4.430 -14.601 1.00 0.00 H new ATOM 0 HE ARG B 146 -11.249 -6.532 -15.782 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -14.225 -6.369 -13.886 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -14.931 -7.791 -14.660 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -12.145 -8.365 -16.748 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -13.756 -8.920 -16.279 1.00 0.00 H new ATOM 2063 N SER B 147 -8.346 -1.945 -13.220 1.00 0.00 N ATOM 2064 CA SER B 147 -7.446 -1.246 -14.115 1.00 0.00 C ATOM 2065 C SER B 147 -5.974 -1.410 -13.649 1.00 0.00 C ATOM 2066 O SER B 147 -5.117 -1.885 -14.419 1.00 0.00 O ATOM 2067 CB SER B 147 -7.840 0.232 -14.182 1.00 0.00 C ATOM 2068 OG SER B 147 -9.230 0.362 -14.485 1.00 0.00 O ATOM 0 H SER B 147 -9.061 -1.353 -12.797 1.00 0.00 H new ATOM 0 HA SER B 147 -7.525 -1.677 -15.113 1.00 0.00 H new ATOM 0 HB2 SER B 147 -7.621 0.717 -13.231 1.00 0.00 H new ATOM 0 HB3 SER B 147 -7.246 0.739 -14.942 1.00 0.00 H new ATOM 0 HG SER B 147 -9.469 1.312 -14.523 1.00 0.00 H new ATOM 2074 N GLU B 148 -5.691 -1.080 -12.376 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.322 -1.196 -11.864 1.00 0.00 C ATOM 2076 C GLU B 148 -3.822 -2.646 -11.796 1.00 0.00 C ATOM 2077 O GLU B 148 -2.648 -2.904 -12.072 1.00 0.00 O ATOM 2078 CB GLU B 148 -4.113 -0.549 -10.492 1.00 0.00 C ATOM 2079 CG GLU B 148 -4.318 0.950 -10.409 1.00 0.00 C ATOM 2080 CD GLU B 148 -3.709 1.526 -9.131 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -4.256 1.336 -8.039 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -2.646 2.193 -9.212 1.00 0.00 O ATOM 0 H GLU B 148 -6.376 -0.740 -11.701 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.735 -0.645 -12.599 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -4.792 -1.025 -9.784 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -3.099 -0.773 -10.161 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -3.866 1.429 -11.277 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -5.384 1.175 -10.440 1.00 0.00 H new ATOM 2089 N LEU B 149 -4.687 -3.587 -11.415 1.00 0.00 N ATOM 2090 CA LEU B 149 -4.269 -4.983 -11.262 1.00 0.00 C ATOM 2091 C LEU B 149 -4.055 -5.674 -12.595 1.00 0.00 C ATOM 2092 O LEU B 149 -3.201 -6.553 -12.696 1.00 0.00 O ATOM 2093 CB LEU B 149 -5.187 -5.810 -10.297 1.00 0.00 C ATOM 2094 CG LEU B 149 -6.678 -5.993 -10.663 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -6.894 -7.003 -11.790 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -7.482 -6.388 -9.449 1.00 0.00 C ATOM 0 H LEU B 149 -5.670 -3.412 -11.209 1.00 0.00 H new ATOM 0 HA LEU B 149 -3.296 -4.943 -10.772 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.748 -6.802 -10.194 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -5.144 -5.339 -9.315 1.00 0.00 H new ATOM 0 HG LEU B 149 -7.027 -5.027 -11.028 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -7.960 -7.089 -12.002 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -6.371 -6.666 -12.685 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -6.505 -7.975 -11.487 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -8.528 -6.511 -9.730 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -7.100 -7.328 -9.050 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -7.399 -5.611 -8.689 1.00 0.00 H new ATOM 2108 N MET B 150 -4.821 -5.271 -13.616 1.00 0.00 N ATOM 2109 CA MET B 150 -4.663 -5.843 -14.949 1.00 0.00 C ATOM 2110 C MET B 150 -3.325 -5.413 -15.485 1.00 0.00 C ATOM 2111 O MET B 150 -2.648 -6.165 -16.208 1.00 0.00 O ATOM 2112 CB MET B 150 -5.800 -5.406 -15.880 1.00 0.00 C ATOM 2113 CG MET B 150 -5.745 -6.031 -17.274 1.00 0.00 C ATOM 2114 SD MET B 150 -5.703 -7.848 -17.240 1.00 0.00 S ATOM 2115 CE MET B 150 -7.205 -8.238 -16.332 1.00 0.00 C ATOM 0 H MET B 150 -5.547 -4.559 -13.542 1.00 0.00 H new ATOM 0 HA MET B 150 -4.708 -6.931 -14.892 1.00 0.00 H new ATOM 0 HB2 MET B 150 -6.753 -5.663 -15.417 1.00 0.00 H new ATOM 0 HB3 MET B 150 -5.776 -4.321 -15.980 1.00 0.00 H new ATOM 0 HG2 MET B 150 -6.613 -5.704 -17.847 1.00 0.00 H new ATOM 0 HG3 MET B 150 -4.862 -5.663 -17.796 1.00 0.00 H new ATOM 0 HE1 MET B 150 -7.407 -9.307 -16.405 1.00 0.00 H new ATOM 0 HE2 MET B 150 -7.079 -7.963 -15.285 1.00 0.00 H new ATOM 0 HE3 MET B 150 -8.041 -7.681 -16.755 1.00 0.00 H new