USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=29 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 HD1:sc= -1.28 K(o=-3.7,f=-1.5) USER MOD Set 1.2: B 112 GLN : amide:sc= -2.39 K(o=-3.7,f=-1.5!) USER MOD Set 2.1: A 73 TYR OH : rot 180:sc= 0.897 USER MOD Set 2.2: A 77 LYS NZ :NH3+ 163:sc= 1.56 (180deg=0.00201) USER MOD Set 3.1: A 65 TYR OH : rot 27:sc= 0.921 USER MOD Set 3.2: B 116 THR OG1 : rot -3:sc= 0.986 USER MOD Set 4.1: A 46 TYR OH : rot -170:sc= 0.989 USER MOD Set 4.2: A 71 LYS NZ :NH3+ -158:sc= -1.53! (180deg=-2.69!) USER MOD Set 5.1: A 21 LYS NZ :NH3+ 157:sc= 1.98 (180deg=0.892) USER MOD Set 5.2: A 24 GLN : amide:sc= 0.843 K(o=2.8,f=-5.1!) USER MOD Set 6.1: A 17 HIS : no HE2:sc= -3.96! C(o=-4.1!,f=-7.4!) USER MOD Set 6.2: B 119 SER OG : rot 110:sc= -0.127 USER MOD Single : A 7 HIS : no HD1:sc= -0.392 X(o=-0.39,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.35) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00809 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -0.774 K(o=-0.77,f=-3.4!) USER MOD Single : A 29 THR OG1 : rot -92:sc= -1.1! USER MOD Single : A 36 LYS NZ :NH3+ -145:sc= -0.973 (180deg=-2.77!) USER MOD Single : A 40 MET CE :methyl -106:sc= -4.56! (180deg=-5.95!) USER MOD Single : A 42 ASN : amide:sc= -2.64 K(o=-2.6,f=-4.8!) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.065 (180deg=-0.348) USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= 1.24 (180deg=1.06) USER MOD Single : A 54 MET CE :methyl 160:sc= -2.66 (180deg=-3.56!) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.979 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.119 K(o=0.12,f=-4.2!) USER MOD Single : A 60 SER OG : rot 139:sc= -0.344 USER MOD Single : A 64 TYR OH : rot 55:sc= 1 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.765 K(o=-0.76,f=-1.5!) USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= 1.61 (180deg=1.51) USER MOD Single : B 110 THR OG1 : rot 29:sc= 0.318 USER MOD Single : B 117 SER OG : rot 79:sc= 1.18 USER MOD Single : B 141 MET CE :methyl 167:sc= -0.738 (180deg=-0.842) USER MOD Single : B 143 SER OG : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot 75:sc= 0.0357 USER MOD Single : B 150 MET CE :methyl 160:sc= -0.136 (180deg=-0.619) USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 5 22.689 -0.717 -5.369 1.00 0.00 N ATOM 73 CA GLY A 5 23.296 -0.971 -4.062 1.00 0.00 C ATOM 74 C GLY A 5 22.347 -0.781 -2.886 1.00 0.00 C ATOM 75 O GLY A 5 22.481 -1.449 -1.851 1.00 0.00 O ATOM 0 HA2 GLY A 5 23.679 -1.991 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 5 24.151 -0.307 -3.936 1.00 0.00 H new ATOM 79 N TRP A 6 21.376 0.088 -3.050 1.00 0.00 N ATOM 80 CA TRP A 6 20.430 0.387 -1.999 1.00 0.00 C ATOM 81 C TRP A 6 19.506 -0.792 -1.655 1.00 0.00 C ATOM 82 O TRP A 6 18.921 -0.815 -0.575 1.00 0.00 O ATOM 83 CB TRP A 6 19.586 1.622 -2.336 1.00 0.00 C ATOM 84 CG TRP A 6 18.626 1.458 -3.480 1.00 0.00 C ATOM 85 CD1 TRP A 6 18.820 1.820 -4.769 1.00 0.00 C ATOM 86 CD2 TRP A 6 17.300 0.903 -3.422 1.00 0.00 C ATOM 87 NE1 TRP A 6 17.706 1.544 -5.503 1.00 0.00 N ATOM 88 CE2 TRP A 6 16.770 0.971 -4.704 1.00 0.00 C ATOM 89 CE3 TRP A 6 16.518 0.353 -2.403 1.00 0.00 C ATOM 90 CZ2 TRP A 6 15.505 0.518 -5.005 1.00 0.00 C ATOM 91 CZ3 TRP A 6 15.258 -0.097 -2.705 1.00 0.00 C ATOM 92 CH2 TRP A 6 14.763 -0.013 -3.993 1.00 0.00 C ATOM 0 H TRP A 6 21.220 0.607 -3.914 1.00 0.00 H new ATOM 0 HA TRP A 6 21.036 0.593 -1.117 1.00 0.00 H new ATOM 0 HB2 TRP A 6 19.021 1.907 -1.449 1.00 0.00 H new ATOM 0 HB3 TRP A 6 20.259 2.449 -2.565 1.00 0.00 H new ATOM 0 HD1 TRP A 6 19.725 2.263 -5.159 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.593 1.738 -6.498 1.00 0.00 H new ATOM 0 HE3 TRP A 6 16.899 0.283 -1.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 15.114 0.581 -6.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 14.644 -0.523 -1.925 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.767 -0.376 -4.201 1.00 0.00 H new ATOM 103 N HIS A 7 19.369 -1.777 -2.546 1.00 0.00 N ATOM 104 CA HIS A 7 18.411 -2.869 -2.289 1.00 0.00 C ATOM 105 C HIS A 7 18.864 -3.811 -1.176 1.00 0.00 C ATOM 106 O HIS A 7 18.099 -4.630 -0.687 1.00 0.00 O ATOM 107 CB HIS A 7 17.962 -3.630 -3.565 1.00 0.00 C ATOM 108 CG HIS A 7 19.030 -4.323 -4.368 1.00 0.00 C ATOM 109 ND1 HIS A 7 18.974 -4.460 -5.736 1.00 0.00 N ATOM 110 CD2 HIS A 7 20.162 -4.960 -3.980 1.00 0.00 C ATOM 111 CE1 HIS A 7 20.037 -5.154 -6.126 1.00 0.00 C ATOM 112 NE2 HIS A 7 20.797 -5.483 -5.100 1.00 0.00 N ATOM 0 H HIS A 7 19.886 -1.847 -3.423 1.00 0.00 H new ATOM 0 HA HIS A 7 17.514 -2.368 -1.924 1.00 0.00 H new ATOM 0 HB2 HIS A 7 17.224 -4.376 -3.270 1.00 0.00 H new ATOM 0 HB3 HIS A 7 17.455 -2.921 -4.219 1.00 0.00 H new ATOM 0 HD2 HIS A 7 20.514 -5.047 -2.963 1.00 0.00 H new ATOM 0 HE1 HIS A 7 20.251 -5.415 -7.152 1.00 0.00 H new ATOM 0 HE2 HIS A 7 21.669 -6.011 -5.123 1.00 0.00 H new ATOM 120 N GLU A 8 20.099 -3.652 -0.761 1.00 0.00 N ATOM 121 CA GLU A 8 20.655 -4.414 0.343 1.00 0.00 C ATOM 122 C GLU A 8 20.271 -3.744 1.658 1.00 0.00 C ATOM 123 O GLU A 8 20.512 -4.266 2.745 1.00 0.00 O ATOM 124 CB GLU A 8 22.166 -4.458 0.217 1.00 0.00 C ATOM 125 CG GLU A 8 22.646 -5.122 -1.052 1.00 0.00 C ATOM 126 CD GLU A 8 24.125 -5.003 -1.228 1.00 0.00 C ATOM 127 OE1 GLU A 8 24.889 -5.642 -0.465 1.00 0.00 O ATOM 128 OE2 GLU A 8 24.560 -4.236 -2.109 1.00 0.00 O ATOM 0 H GLU A 8 20.752 -2.989 -1.178 1.00 0.00 H new ATOM 0 HA GLU A 8 20.262 -5.431 0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 8 22.556 -3.441 0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 8 22.579 -4.990 1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 8 22.368 -6.176 -1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 8 22.143 -4.672 -1.908 1.00 0.00 H new ATOM 135 N HIS A 9 19.671 -2.581 1.545 1.00 0.00 N ATOM 136 CA HIS A 9 19.274 -1.781 2.695 1.00 0.00 C ATOM 137 C HIS A 9 17.794 -1.969 2.972 1.00 0.00 C ATOM 138 O HIS A 9 17.209 -1.284 3.802 1.00 0.00 O ATOM 139 CB HIS A 9 19.563 -0.288 2.442 1.00 0.00 C ATOM 140 CG HIS A 9 21.016 0.046 2.202 1.00 0.00 C ATOM 141 ND1 HIS A 9 21.795 0.776 3.062 1.00 0.00 N ATOM 142 CD2 HIS A 9 21.813 -0.240 1.140 1.00 0.00 C ATOM 143 CE1 HIS A 9 23.005 0.912 2.516 1.00 0.00 C ATOM 144 NE2 HIS A 9 23.068 0.310 1.340 1.00 0.00 N ATOM 0 H HIS A 9 19.440 -2.155 0.647 1.00 0.00 H new ATOM 0 HA HIS A 9 19.851 -2.111 3.559 1.00 0.00 H new ATOM 0 HB2 HIS A 9 18.983 0.038 1.579 1.00 0.00 H new ATOM 0 HB3 HIS A 9 19.210 0.286 3.299 1.00 0.00 H new ATOM 0 HD2 HIS A 9 21.514 -0.809 0.272 1.00 0.00 H new ATOM 0 HE1 HIS A 9 23.825 1.444 2.974 1.00 0.00 H new ATOM 0 HE2 HIS A 9 23.871 0.261 0.713 1.00 0.00 H new ATOM 152 N VAL A 10 17.196 -2.877 2.270 1.00 0.00 N ATOM 153 CA VAL A 10 15.804 -3.162 2.427 1.00 0.00 C ATOM 154 C VAL A 10 15.587 -4.663 2.358 1.00 0.00 C ATOM 155 O VAL A 10 15.865 -5.305 1.352 1.00 0.00 O ATOM 156 CB VAL A 10 14.941 -2.386 1.377 1.00 0.00 C ATOM 157 CG1 VAL A 10 15.364 -2.656 -0.053 1.00 0.00 C ATOM 158 CG2 VAL A 10 13.456 -2.628 1.573 1.00 0.00 C ATOM 0 H VAL A 10 17.663 -3.447 1.565 1.00 0.00 H new ATOM 0 HA VAL A 10 15.473 -2.814 3.406 1.00 0.00 H new ATOM 0 HB VAL A 10 15.129 -1.328 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.728 -2.090 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.402 -2.352 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.266 -3.720 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.894 -2.071 0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.244 -3.692 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.161 -2.295 2.568 1.00 0.00 H new ATOM 168 N THR A 11 15.162 -5.221 3.442 1.00 0.00 N ATOM 169 CA THR A 11 14.944 -6.628 3.513 1.00 0.00 C ATOM 170 C THR A 11 13.512 -6.923 3.105 1.00 0.00 C ATOM 171 O THR A 11 12.672 -5.999 3.032 1.00 0.00 O ATOM 172 CB THR A 11 15.149 -7.102 4.955 1.00 0.00 C ATOM 173 OG1 THR A 11 16.125 -6.241 5.573 1.00 0.00 O ATOM 174 CG2 THR A 11 15.693 -8.524 4.966 1.00 0.00 C ATOM 0 H THR A 11 14.956 -4.715 4.304 1.00 0.00 H new ATOM 0 HA THR A 11 15.642 -7.141 2.851 1.00 0.00 H new ATOM 0 HB THR A 11 14.199 -7.074 5.488 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.272 -6.525 6.499 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.835 -8.851 5.996 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.986 -9.188 4.469 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.648 -8.552 4.441 1.00 0.00 H new ATOM 182 N GLN A 12 13.241 -8.187 2.850 1.00 0.00 N ATOM 183 CA GLN A 12 11.926 -8.690 2.533 1.00 0.00 C ATOM 184 C GLN A 12 10.888 -8.192 3.538 1.00 0.00 C ATOM 185 O GLN A 12 9.814 -7.800 3.155 1.00 0.00 O ATOM 186 CB GLN A 12 11.956 -10.197 2.579 1.00 0.00 C ATOM 187 CG GLN A 12 10.599 -10.831 2.449 1.00 0.00 C ATOM 188 CD GLN A 12 10.601 -12.216 3.001 1.00 0.00 C ATOM 189 OE1 GLN A 12 10.815 -13.196 2.286 1.00 0.00 O ATOM 190 NE2 GLN A 12 10.476 -12.296 4.296 1.00 0.00 N ATOM 0 H GLN A 12 13.956 -8.914 2.859 1.00 0.00 H new ATOM 0 HA GLN A 12 11.651 -8.335 1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.597 -10.564 1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.407 -10.514 3.519 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.860 -10.227 2.975 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.304 -10.854 1.400 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.299 -11.454 4.844 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.555 -13.200 4.761 1.00 0.00 H new ATOM 199 N ASP A 13 11.253 -8.188 4.814 1.00 0.00 N ATOM 200 CA ASP A 13 10.353 -7.777 5.912 1.00 0.00 C ATOM 201 C ASP A 13 9.732 -6.421 5.656 1.00 0.00 C ATOM 202 O ASP A 13 8.522 -6.276 5.720 1.00 0.00 O ATOM 203 CB ASP A 13 11.113 -7.686 7.236 1.00 0.00 C ATOM 204 CG ASP A 13 11.856 -8.930 7.577 1.00 0.00 C ATOM 205 OD1 ASP A 13 11.300 -9.825 8.223 1.00 0.00 O ATOM 206 OD2 ASP A 13 13.024 -9.039 7.187 1.00 0.00 O ATOM 0 H ASP A 13 12.182 -8.468 5.129 1.00 0.00 H new ATOM 0 HA ASP A 13 9.573 -8.537 5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.815 -6.854 7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.408 -7.461 8.037 1.00 0.00 H new ATOM 211 N LEU A 14 10.564 -5.463 5.257 1.00 0.00 N ATOM 212 CA LEU A 14 10.137 -4.072 5.138 1.00 0.00 C ATOM 213 C LEU A 14 9.229 -3.939 3.945 1.00 0.00 C ATOM 214 O LEU A 14 8.148 -3.370 4.025 1.00 0.00 O ATOM 215 CB LEU A 14 11.401 -3.152 5.030 1.00 0.00 C ATOM 216 CG LEU A 14 11.234 -1.595 4.966 1.00 0.00 C ATOM 217 CD1 LEU A 14 10.739 -1.124 3.622 1.00 0.00 C ATOM 218 CD2 LEU A 14 10.313 -1.081 6.059 1.00 0.00 C ATOM 0 H LEU A 14 11.540 -5.625 5.010 1.00 0.00 H new ATOM 0 HA LEU A 14 9.577 -3.759 6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.038 -3.375 5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.948 -3.456 4.138 1.00 0.00 H new ATOM 0 HG LEU A 14 12.231 -1.183 5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.640 -0.039 3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.449 -1.418 2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.769 -1.575 3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.224 0.002 5.980 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.328 -1.535 5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.725 -1.341 7.034 1.00 0.00 H new ATOM 230 N ARG A 15 9.647 -4.528 2.866 1.00 0.00 N ATOM 231 CA ARG A 15 8.917 -4.446 1.633 1.00 0.00 C ATOM 232 C ARG A 15 7.615 -5.221 1.670 1.00 0.00 C ATOM 233 O ARG A 15 6.588 -4.718 1.258 1.00 0.00 O ATOM 234 CB ARG A 15 9.788 -4.847 0.472 1.00 0.00 C ATOM 235 CG ARG A 15 10.459 -6.167 0.577 1.00 0.00 C ATOM 236 CD ARG A 15 11.485 -6.284 -0.494 1.00 0.00 C ATOM 237 NE ARG A 15 10.896 -6.031 -1.827 1.00 0.00 N ATOM 238 CZ ARG A 15 11.215 -6.662 -2.950 1.00 0.00 C ATOM 239 NH1 ARG A 15 12.281 -7.469 -2.987 1.00 0.00 N ATOM 240 NH2 ARG A 15 10.475 -6.474 -4.040 1.00 0.00 N ATOM 0 H ARG A 15 10.503 -5.080 2.813 1.00 0.00 H new ATOM 0 HA ARG A 15 8.632 -3.403 1.493 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.177 -4.845 -0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.554 -4.083 0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.925 -6.274 1.556 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.726 -6.969 0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.291 -5.574 -0.309 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.926 -7.280 -0.471 1.00 0.00 H new ATOM 0 HE ARG A 15 10.181 -5.307 -1.889 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.850 -7.600 -2.151 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.524 -7.953 -3.851 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.670 -5.849 -4.008 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.713 -6.955 -4.907 1.00 0.00 H new ATOM 254 N SER A 16 7.650 -6.412 2.234 1.00 0.00 N ATOM 255 CA SER A 16 6.478 -7.251 2.343 1.00 0.00 C ATOM 256 C SER A 16 5.485 -6.600 3.324 1.00 0.00 C ATOM 257 O SER A 16 4.267 -6.784 3.224 1.00 0.00 O ATOM 258 CB SER A 16 6.901 -8.667 2.803 1.00 0.00 C ATOM 259 OG SER A 16 5.827 -9.591 2.800 1.00 0.00 O ATOM 0 H SER A 16 8.495 -6.824 2.630 1.00 0.00 H new ATOM 0 HA SER A 16 5.984 -7.350 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.692 -9.035 2.149 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.320 -8.607 3.808 1.00 0.00 H new ATOM 0 HG SER A 16 6.149 -10.468 3.097 1.00 0.00 H new ATOM 265 N HIS A 17 6.017 -5.812 4.248 1.00 0.00 N ATOM 266 CA HIS A 17 5.212 -5.078 5.191 1.00 0.00 C ATOM 267 C HIS A 17 4.474 -3.940 4.447 1.00 0.00 C ATOM 268 O HIS A 17 3.280 -3.706 4.665 1.00 0.00 O ATOM 269 CB HIS A 17 6.112 -4.521 6.299 1.00 0.00 C ATOM 270 CG HIS A 17 5.392 -4.004 7.482 1.00 0.00 C ATOM 271 ND1 HIS A 17 5.362 -4.630 8.698 1.00 0.00 N ATOM 272 CD2 HIS A 17 4.695 -2.885 7.625 1.00 0.00 C ATOM 273 CE1 HIS A 17 4.651 -3.877 9.529 1.00 0.00 C ATOM 274 NE2 HIS A 17 4.218 -2.796 8.920 1.00 0.00 N ATOM 0 H HIS A 17 7.021 -5.669 4.358 1.00 0.00 H new ATOM 0 HA HIS A 17 4.470 -5.732 5.648 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.795 -5.307 6.622 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.722 -3.719 5.883 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.807 -5.519 8.926 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.526 -2.154 6.848 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.455 -4.120 10.563 1.00 0.00 H new ATOM 282 N LEU A 18 5.191 -3.255 3.569 1.00 0.00 N ATOM 283 CA LEU A 18 4.615 -2.203 2.725 1.00 0.00 C ATOM 284 C LEU A 18 3.592 -2.798 1.749 1.00 0.00 C ATOM 285 O LEU A 18 2.540 -2.200 1.504 1.00 0.00 O ATOM 286 CB LEU A 18 5.732 -1.408 2.001 1.00 0.00 C ATOM 287 CG LEU A 18 6.407 -0.225 2.781 1.00 0.00 C ATOM 288 CD1 LEU A 18 6.584 -0.520 4.255 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.769 0.033 2.211 1.00 0.00 C ATOM 0 H LEU A 18 6.188 -3.408 3.417 1.00 0.00 H new ATOM 0 HA LEU A 18 4.081 -1.494 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.514 -2.112 1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.314 -1.006 1.078 1.00 0.00 H new ATOM 0 HG LEU A 18 5.747 0.636 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.055 0.333 4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.610 -0.705 4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.214 -1.401 4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.240 0.854 2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.381 -0.864 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.678 0.296 1.157 1.00 0.00 H new ATOM 301 N VAL A 19 3.894 -3.997 1.232 1.00 0.00 N ATOM 302 CA VAL A 19 2.953 -4.770 0.394 1.00 0.00 C ATOM 303 C VAL A 19 1.657 -5.000 1.176 1.00 0.00 C ATOM 304 O VAL A 19 0.550 -4.815 0.653 1.00 0.00 O ATOM 305 CB VAL A 19 3.546 -6.173 -0.011 1.00 0.00 C ATOM 306 CG1 VAL A 19 2.539 -7.018 -0.743 1.00 0.00 C ATOM 307 CG2 VAL A 19 4.763 -6.032 -0.879 1.00 0.00 C ATOM 0 H VAL A 19 4.791 -4.460 1.379 1.00 0.00 H new ATOM 0 HA VAL A 19 2.769 -4.197 -0.515 1.00 0.00 H new ATOM 0 HB VAL A 19 3.818 -6.662 0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.989 -7.976 -1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.672 -7.186 -0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.226 -6.505 -1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.142 -7.021 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.500 -5.495 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.532 -5.478 -0.341 1.00 0.00 H new ATOM 317 N HIS A 20 1.817 -5.391 2.433 1.00 0.00 N ATOM 318 CA HIS A 20 0.699 -5.613 3.328 1.00 0.00 C ATOM 319 C HIS A 20 -0.148 -4.339 3.460 1.00 0.00 C ATOM 320 O HIS A 20 -1.367 -4.400 3.367 1.00 0.00 O ATOM 321 CB HIS A 20 1.195 -6.125 4.701 1.00 0.00 C ATOM 322 CG HIS A 20 0.117 -6.335 5.727 1.00 0.00 C ATOM 323 ND1 HIS A 20 0.202 -5.890 7.023 1.00 0.00 N ATOM 324 CD2 HIS A 20 -1.080 -6.961 5.631 1.00 0.00 C ATOM 325 CE1 HIS A 20 -0.913 -6.241 7.654 1.00 0.00 C ATOM 326 NE2 HIS A 20 -1.725 -6.891 6.860 1.00 0.00 N ATOM 0 H HIS A 20 2.728 -5.562 2.858 1.00 0.00 H new ATOM 0 HA HIS A 20 0.058 -6.387 2.906 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.722 -7.067 4.552 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.919 -5.413 5.097 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.985 -5.379 7.430 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.470 -7.437 4.744 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.123 -6.018 8.690 1.00 0.00 H new ATOM 334 N LYS A 21 0.498 -3.184 3.635 1.00 0.00 N ATOM 335 CA LYS A 21 -0.252 -1.930 3.702 1.00 0.00 C ATOM 336 C LYS A 21 -0.958 -1.607 2.411 1.00 0.00 C ATOM 337 O LYS A 21 -2.065 -1.093 2.446 1.00 0.00 O ATOM 338 CB LYS A 21 0.549 -0.714 4.175 1.00 0.00 C ATOM 339 CG LYS A 21 0.627 -0.555 5.681 1.00 0.00 C ATOM 340 CD LYS A 21 1.644 -1.459 6.314 1.00 0.00 C ATOM 341 CE LYS A 21 1.679 -1.268 7.823 1.00 0.00 C ATOM 342 NZ LYS A 21 0.366 -1.499 8.495 1.00 0.00 N ATOM 0 H LYS A 21 1.509 -3.091 3.730 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.992 -2.128 4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.561 -0.786 3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.103 0.186 3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.871 0.480 5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.352 -0.760 6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.408 -2.497 6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.629 -1.254 5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.418 -1.948 8.248 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.015 -0.255 8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.525 -1.737 9.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.213 -0.637 8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.130 -2.284 8.027 1.00 0.00 H new ATOM 356 N LEU A 22 -0.319 -1.892 1.280 1.00 0.00 N ATOM 357 CA LEU A 22 -0.936 -1.691 -0.033 1.00 0.00 C ATOM 358 C LEU A 22 -2.262 -2.426 -0.098 1.00 0.00 C ATOM 359 O LEU A 22 -3.274 -1.867 -0.524 1.00 0.00 O ATOM 360 CB LEU A 22 0.008 -2.144 -1.152 1.00 0.00 C ATOM 361 CG LEU A 22 1.240 -1.265 -1.383 1.00 0.00 C ATOM 362 CD1 LEU A 22 2.217 -1.947 -2.322 1.00 0.00 C ATOM 363 CD2 LEU A 22 0.811 0.034 -2.002 1.00 0.00 C ATOM 0 H LEU A 22 0.630 -2.265 1.244 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.126 -0.627 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.344 -3.157 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.559 -2.193 -2.082 1.00 0.00 H new ATOM 0 HG LEU A 22 1.727 -1.092 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.085 -1.305 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.537 -2.895 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.732 -2.132 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.685 0.664 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.318 -0.162 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.118 0.544 -1.333 1.00 0.00 H new ATOM 375 N VAL A 23 -2.249 -3.656 0.380 1.00 0.00 N ATOM 376 CA VAL A 23 -3.442 -4.455 0.504 1.00 0.00 C ATOM 377 C VAL A 23 -4.427 -3.818 1.508 1.00 0.00 C ATOM 378 O VAL A 23 -5.592 -3.656 1.195 1.00 0.00 O ATOM 379 CB VAL A 23 -3.127 -5.910 0.935 1.00 0.00 C ATOM 380 CG1 VAL A 23 -4.419 -6.635 1.274 1.00 0.00 C ATOM 381 CG2 VAL A 23 -2.423 -6.636 -0.203 1.00 0.00 C ATOM 0 H VAL A 23 -1.401 -4.128 0.694 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.903 -4.488 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.481 -5.893 1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.194 -7.658 1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.923 -6.118 2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.068 -6.650 0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.201 -7.659 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.069 -6.649 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.494 -6.120 -0.444 1.00 0.00 H new ATOM 391 N GLN A 24 -3.935 -3.431 2.694 1.00 0.00 N ATOM 392 CA GLN A 24 -4.797 -2.835 3.742 1.00 0.00 C ATOM 393 C GLN A 24 -5.471 -1.540 3.262 1.00 0.00 C ATOM 394 O GLN A 24 -6.533 -1.153 3.762 1.00 0.00 O ATOM 395 CB GLN A 24 -4.031 -2.521 5.043 1.00 0.00 C ATOM 396 CG GLN A 24 -3.295 -3.683 5.696 1.00 0.00 C ATOM 397 CD GLN A 24 -2.885 -3.344 7.118 1.00 0.00 C ATOM 398 OE1 GLN A 24 -1.782 -2.821 7.371 1.00 0.00 O ATOM 399 NE2 GLN A 24 -3.755 -3.628 8.055 1.00 0.00 N ATOM 0 H GLN A 24 -2.953 -3.516 2.957 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.551 -3.594 3.949 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.307 -1.735 4.831 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.739 -2.116 5.766 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.934 -4.566 5.700 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.411 -3.932 5.109 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.648 -4.056 7.809 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.540 -3.421 9.030 1.00 0.00 H new ATOM 408 N ALA A 25 -4.832 -0.851 2.343 1.00 0.00 N ATOM 409 CA ALA A 25 -5.381 0.357 1.808 1.00 0.00 C ATOM 410 C ALA A 25 -6.399 0.081 0.742 1.00 0.00 C ATOM 411 O ALA A 25 -7.479 0.646 0.777 1.00 0.00 O ATOM 412 CB ALA A 25 -4.300 1.167 1.223 1.00 0.00 C ATOM 0 H ALA A 25 -3.927 -1.116 1.954 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.869 0.889 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.716 2.088 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.569 1.410 1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.814 0.604 0.426 1.00 0.00 H new ATOM 418 N ILE A 26 -6.071 -0.810 -0.182 1.00 0.00 N ATOM 419 CA ILE A 26 -6.956 -1.101 -1.297 1.00 0.00 C ATOM 420 C ILE A 26 -8.176 -1.878 -0.810 1.00 0.00 C ATOM 421 O ILE A 26 -9.276 -1.756 -1.346 1.00 0.00 O ATOM 422 CB ILE A 26 -6.227 -1.899 -2.442 1.00 0.00 C ATOM 423 CG1 ILE A 26 -7.139 -2.040 -3.644 1.00 0.00 C ATOM 424 CG2 ILE A 26 -5.763 -3.271 -1.993 1.00 0.00 C ATOM 425 CD1 ILE A 26 -6.631 -2.997 -4.690 1.00 0.00 C ATOM 0 H ILE A 26 -5.201 -1.342 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.275 -0.147 -1.717 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.340 -1.325 -2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.120 -2.375 -3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.277 -1.059 -4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.267 -3.777 -2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.065 -3.165 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.623 -3.859 -1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.340 -3.042 -5.517 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.664 -2.654 -5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.521 -3.989 -4.252 1.00 0.00 H new ATOM 437 N PHE A 27 -7.963 -2.635 0.217 1.00 0.00 N ATOM 438 CA PHE A 27 -8.949 -3.462 0.791 1.00 0.00 C ATOM 439 C PHE A 27 -9.009 -3.172 2.274 1.00 0.00 C ATOM 440 O PHE A 27 -8.094 -3.555 3.020 1.00 0.00 O ATOM 441 CB PHE A 27 -8.542 -4.911 0.571 1.00 0.00 C ATOM 442 CG PHE A 27 -9.486 -5.940 1.087 1.00 0.00 C ATOM 443 CD1 PHE A 27 -10.726 -6.102 0.525 1.00 0.00 C ATOM 444 CD2 PHE A 27 -9.108 -6.764 2.127 1.00 0.00 C ATOM 445 CE1 PHE A 27 -11.587 -7.072 0.996 1.00 0.00 C ATOM 446 CE2 PHE A 27 -9.958 -7.732 2.605 1.00 0.00 C ATOM 447 CZ PHE A 27 -11.203 -7.887 2.039 1.00 0.00 C ATOM 0 H PHE A 27 -7.061 -2.689 0.689 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.924 -3.279 0.340 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.410 -5.072 -0.499 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.571 -5.070 1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -11.031 -5.466 -0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.131 -6.647 2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -12.562 -7.193 0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.650 -8.369 3.421 1.00 0.00 H new ATOM 0 HZ PHE A 27 -11.877 -8.645 2.411 1.00 0.00 H new ATOM 457 N PRO A 28 -10.025 -2.438 2.726 1.00 0.00 N ATOM 458 CA PRO A 28 -10.246 -2.178 4.153 1.00 0.00 C ATOM 459 C PRO A 28 -10.634 -3.470 4.879 1.00 0.00 C ATOM 460 O PRO A 28 -11.805 -3.732 5.155 1.00 0.00 O ATOM 461 CB PRO A 28 -11.418 -1.201 4.148 1.00 0.00 C ATOM 462 CG PRO A 28 -12.115 -1.520 2.873 1.00 0.00 C ATOM 463 CD PRO A 28 -11.037 -1.763 1.893 1.00 0.00 C ATOM 0 HA PRO A 28 -9.363 -1.792 4.662 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.068 -1.346 5.011 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.080 -0.165 4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.753 -2.397 2.982 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.756 -0.696 2.558 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.370 -2.389 1.065 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.660 -0.836 1.461 1.00 0.00 H new ATOM 471 N THR A 29 -9.650 -4.288 5.114 1.00 0.00 N ATOM 472 CA THR A 29 -9.836 -5.573 5.696 1.00 0.00 C ATOM 473 C THR A 29 -10.471 -5.484 7.110 1.00 0.00 C ATOM 474 O THR A 29 -9.992 -4.743 7.996 1.00 0.00 O ATOM 475 CB THR A 29 -8.499 -6.370 5.709 1.00 0.00 C ATOM 476 OG1 THR A 29 -8.744 -7.722 6.055 1.00 0.00 O ATOM 477 CG2 THR A 29 -7.501 -5.772 6.683 1.00 0.00 C ATOM 0 H THR A 29 -8.677 -4.070 4.900 1.00 0.00 H new ATOM 0 HA THR A 29 -10.544 -6.120 5.074 1.00 0.00 H new ATOM 0 HB THR A 29 -8.072 -6.315 4.708 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.649 -7.834 7.024 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.580 -6.355 6.664 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.285 -4.743 6.396 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.920 -5.788 7.689 1.00 0.00 H new ATOM 485 N PRO A 30 -11.580 -6.207 7.324 1.00 0.00 N ATOM 486 CA PRO A 30 -12.267 -6.217 8.606 1.00 0.00 C ATOM 487 C PRO A 30 -11.491 -7.011 9.652 1.00 0.00 C ATOM 488 O PRO A 30 -11.494 -6.679 10.833 1.00 0.00 O ATOM 489 CB PRO A 30 -13.610 -6.893 8.297 1.00 0.00 C ATOM 490 CG PRO A 30 -13.358 -7.732 7.089 1.00 0.00 C ATOM 491 CD PRO A 30 -12.263 -7.049 6.314 1.00 0.00 C ATOM 0 HA PRO A 30 -12.378 -5.216 9.023 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.946 -7.502 9.136 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.388 -6.154 8.107 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.060 -8.741 7.373 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.261 -7.824 6.485 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.579 -7.771 5.868 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.666 -6.447 5.499 1.00 0.00 H new ATOM 499 N ASP A 31 -10.765 -7.997 9.193 1.00 0.00 N ATOM 500 CA ASP A 31 -10.051 -8.905 10.057 1.00 0.00 C ATOM 501 C ASP A 31 -8.801 -9.302 9.341 1.00 0.00 C ATOM 502 O ASP A 31 -8.824 -9.417 8.120 1.00 0.00 O ATOM 503 CB ASP A 31 -10.893 -10.163 10.261 1.00 0.00 C ATOM 504 CG ASP A 31 -10.343 -11.130 11.302 1.00 0.00 C ATOM 505 OD1 ASP A 31 -9.359 -11.816 11.030 1.00 0.00 O ATOM 506 OD2 ASP A 31 -10.915 -11.224 12.415 1.00 0.00 O ATOM 0 H ASP A 31 -10.651 -8.195 8.199 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.838 -8.437 11.018 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.900 -9.867 10.555 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.979 -10.685 9.308 1.00 0.00 H new ATOM 511 N PRO A 32 -7.689 -9.485 10.041 1.00 0.00 N ATOM 512 CA PRO A 32 -6.451 -9.975 9.440 1.00 0.00 C ATOM 513 C PRO A 32 -6.612 -11.309 8.654 1.00 0.00 C ATOM 514 O PRO A 32 -5.764 -11.653 7.829 1.00 0.00 O ATOM 515 CB PRO A 32 -5.505 -10.174 10.622 1.00 0.00 C ATOM 516 CG PRO A 32 -6.338 -10.007 11.847 1.00 0.00 C ATOM 517 CD PRO A 32 -7.503 -9.163 11.462 1.00 0.00 C ATOM 0 HA PRO A 32 -6.089 -9.264 8.697 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.047 -11.163 10.593 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.694 -9.446 10.599 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.669 -10.974 12.224 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.764 -9.534 12.644 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.388 -9.405 12.050 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.300 -8.103 11.612 1.00 0.00 H new ATOM 525 N ALA A 33 -7.683 -12.047 8.895 1.00 0.00 N ATOM 526 CA ALA A 33 -7.917 -13.284 8.176 1.00 0.00 C ATOM 527 C ALA A 33 -8.501 -13.046 6.767 1.00 0.00 C ATOM 528 O ALA A 33 -8.481 -13.924 5.926 1.00 0.00 O ATOM 529 CB ALA A 33 -8.767 -14.244 8.982 1.00 0.00 C ATOM 0 H ALA A 33 -8.400 -11.811 9.581 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.943 -13.752 8.032 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.922 -15.160 8.412 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.261 -14.480 9.918 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.731 -13.784 9.197 1.00 0.00 H new ATOM 535 N ALA A 34 -8.963 -11.841 6.491 1.00 0.00 N ATOM 536 CA ALA A 34 -9.451 -11.512 5.137 1.00 0.00 C ATOM 537 C ALA A 34 -8.250 -11.259 4.231 1.00 0.00 C ATOM 538 O ALA A 34 -8.356 -11.145 3.012 1.00 0.00 O ATOM 539 CB ALA A 34 -10.382 -10.314 5.175 1.00 0.00 C ATOM 0 H ALA A 34 -9.016 -11.076 7.163 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.027 -12.348 4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.729 -10.090 4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.238 -10.538 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.849 -9.451 5.575 1.00 0.00 H new ATOM 545 N LEU A 35 -7.091 -11.251 4.862 1.00 0.00 N ATOM 546 CA LEU A 35 -5.823 -11.082 4.209 1.00 0.00 C ATOM 547 C LEU A 35 -5.271 -12.455 3.806 1.00 0.00 C ATOM 548 O LEU A 35 -4.121 -12.579 3.422 1.00 0.00 O ATOM 549 CB LEU A 35 -4.855 -10.377 5.149 1.00 0.00 C ATOM 550 CG LEU A 35 -5.356 -9.081 5.738 1.00 0.00 C ATOM 551 CD1 LEU A 35 -4.486 -8.693 6.894 1.00 0.00 C ATOM 552 CD2 LEU A 35 -5.351 -7.994 4.686 1.00 0.00 C ATOM 0 H LEU A 35 -7.012 -11.366 5.872 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.948 -10.474 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.607 -11.056 5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.930 -10.178 4.608 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.379 -9.214 6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.845 -7.757 7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.519 -9.475 7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.460 -8.564 6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.714 -7.064 5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.336 -7.849 4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.999 -8.285 3.859 1.00 0.00 H new ATOM 564 N LYS A 36 -6.086 -13.491 3.968 1.00 0.00 N ATOM 565 CA LYS A 36 -5.741 -14.831 3.503 1.00 0.00 C ATOM 566 C LYS A 36 -6.932 -15.426 2.740 1.00 0.00 C ATOM 567 O LYS A 36 -7.018 -16.628 2.511 1.00 0.00 O ATOM 568 CB LYS A 36 -5.296 -15.747 4.667 1.00 0.00 C ATOM 569 CG LYS A 36 -6.342 -15.980 5.749 1.00 0.00 C ATOM 570 CD LYS A 36 -5.887 -16.940 6.864 1.00 0.00 C ATOM 571 CE LYS A 36 -4.875 -16.339 7.861 1.00 0.00 C ATOM 572 NZ LYS A 36 -3.559 -15.997 7.270 1.00 0.00 N ATOM 0 H LYS A 36 -6.998 -13.428 4.421 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.888 -14.758 2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.002 -16.712 4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.409 -15.314 5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.608 -15.022 6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.245 -16.378 5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.765 -17.275 7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.443 -17.823 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.307 -15.440 8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.721 -17.048 8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.809 -16.174 7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.394 -16.584 6.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.550 -14.993 6.999 1.00 0.00 H new ATOM 586 N ASP A 37 -7.819 -14.538 2.327 1.00 0.00 N ATOM 587 CA ASP A 37 -9.039 -14.873 1.566 1.00 0.00 C ATOM 588 C ASP A 37 -8.682 -15.062 0.082 1.00 0.00 C ATOM 589 O ASP A 37 -7.562 -14.791 -0.312 1.00 0.00 O ATOM 590 CB ASP A 37 -10.035 -13.711 1.738 1.00 0.00 C ATOM 591 CG ASP A 37 -11.298 -13.812 0.938 1.00 0.00 C ATOM 592 OD1 ASP A 37 -12.243 -14.515 1.346 1.00 0.00 O ATOM 593 OD2 ASP A 37 -11.350 -13.201 -0.130 1.00 0.00 O ATOM 0 H ASP A 37 -7.721 -13.539 2.508 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.483 -15.799 1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.300 -13.637 2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.531 -12.782 1.470 1.00 0.00 H new ATOM 598 N ARG A 38 -9.625 -15.489 -0.735 1.00 0.00 N ATOM 599 CA ARG A 38 -9.387 -15.713 -2.162 1.00 0.00 C ATOM 600 C ARG A 38 -9.077 -14.405 -2.872 1.00 0.00 C ATOM 601 O ARG A 38 -8.398 -14.393 -3.884 1.00 0.00 O ATOM 602 CB ARG A 38 -10.594 -16.424 -2.804 1.00 0.00 C ATOM 603 CG ARG A 38 -11.721 -15.537 -3.412 1.00 0.00 C ATOM 604 CD ARG A 38 -12.480 -14.744 -2.364 1.00 0.00 C ATOM 605 NE ARG A 38 -13.536 -13.897 -2.937 1.00 0.00 N ATOM 606 CZ ARG A 38 -14.131 -12.863 -2.299 1.00 0.00 C ATOM 607 NH1 ARG A 38 -13.666 -12.424 -1.128 1.00 0.00 N ATOM 608 NH2 ARG A 38 -15.160 -12.248 -2.861 1.00 0.00 N ATOM 0 H ARG A 38 -10.579 -15.692 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.517 -16.361 -2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.218 -17.075 -3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.045 -17.067 -2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.284 -14.848 -4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.420 -16.171 -3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.925 -15.433 -1.646 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.779 -14.118 -1.812 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.843 -14.105 -3.887 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.852 -12.869 -0.703 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.124 -11.643 -0.658 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.502 -12.554 -3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.611 -11.468 -2.383 1.00 0.00 H new ATOM 622 N ARG A 39 -9.545 -13.303 -2.314 1.00 0.00 N ATOM 623 CA ARG A 39 -9.304 -12.015 -2.902 1.00 0.00 C ATOM 624 C ARG A 39 -7.854 -11.603 -2.643 1.00 0.00 C ATOM 625 O ARG A 39 -7.271 -10.806 -3.385 1.00 0.00 O ATOM 626 CB ARG A 39 -10.268 -10.970 -2.336 1.00 0.00 C ATOM 627 CG ARG A 39 -10.125 -9.625 -3.021 1.00 0.00 C ATOM 628 CD ARG A 39 -10.991 -8.560 -2.410 1.00 0.00 C ATOM 629 NE ARG A 39 -12.419 -8.764 -2.633 1.00 0.00 N ATOM 630 CZ ARG A 39 -13.331 -7.822 -2.385 1.00 0.00 C ATOM 631 NH1 ARG A 39 -12.930 -6.636 -1.962 1.00 0.00 N ATOM 632 NH2 ARG A 39 -14.617 -8.061 -2.576 1.00 0.00 N ATOM 0 H ARG A 39 -10.093 -13.283 -1.454 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.474 -12.078 -3.977 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.292 -11.325 -2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.087 -10.852 -1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.083 -9.309 -2.975 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.379 -9.732 -4.076 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.802 -8.522 -1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.703 -7.592 -2.819 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.733 -9.665 -2.994 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.936 -6.451 -1.829 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.615 -5.905 -1.768 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.921 -8.973 -2.916 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.305 -7.333 -2.383 1.00 0.00 H new ATOM 646 N MET A 40 -7.272 -12.195 -1.615 1.00 0.00 N ATOM 647 CA MET A 40 -5.912 -11.906 -1.209 1.00 0.00 C ATOM 648 C MET A 40 -4.914 -12.184 -2.290 1.00 0.00 C ATOM 649 O MET A 40 -4.093 -11.341 -2.552 1.00 0.00 O ATOM 650 CB MET A 40 -5.544 -12.617 0.099 1.00 0.00 C ATOM 651 CG MET A 40 -4.041 -12.750 0.401 1.00 0.00 C ATOM 652 SD MET A 40 -3.102 -11.206 0.301 1.00 0.00 S ATOM 653 CE MET A 40 -4.087 -10.095 1.261 1.00 0.00 C ATOM 0 H MET A 40 -7.735 -12.895 -1.035 1.00 0.00 H new ATOM 0 HA MET A 40 -5.871 -10.833 -1.020 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.013 -12.081 0.924 1.00 0.00 H new ATOM 0 HB3 MET A 40 -5.979 -13.616 0.080 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.922 -13.166 1.401 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.608 -13.467 -0.296 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.608 -9.405 0.598 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.816 -10.662 1.839 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.445 -9.532 1.939 1.00 0.00 H new ATOM 663 N GLU A 41 -5.024 -13.323 -2.965 1.00 0.00 N ATOM 664 CA GLU A 41 -4.043 -13.677 -4.010 1.00 0.00 C ATOM 665 C GLU A 41 -3.981 -12.566 -5.064 1.00 0.00 C ATOM 666 O GLU A 41 -2.924 -12.215 -5.546 1.00 0.00 O ATOM 667 CB GLU A 41 -4.396 -15.013 -4.684 1.00 0.00 C ATOM 668 CG GLU A 41 -5.658 -14.958 -5.517 1.00 0.00 C ATOM 669 CD GLU A 41 -6.034 -16.265 -6.136 1.00 0.00 C ATOM 670 OE1 GLU A 41 -5.286 -16.763 -6.993 1.00 0.00 O ATOM 671 OE2 GLU A 41 -7.107 -16.796 -5.821 1.00 0.00 O ATOM 0 H GLU A 41 -5.763 -14.011 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.069 -13.786 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.565 -15.320 -5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.511 -15.778 -3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.481 -14.615 -4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.528 -14.218 -6.306 1.00 0.00 H new ATOM 678 N ASN A 42 -5.129 -11.987 -5.326 1.00 0.00 N ATOM 679 CA ASN A 42 -5.309 -10.945 -6.300 1.00 0.00 C ATOM 680 C ASN A 42 -4.789 -9.605 -5.784 1.00 0.00 C ATOM 681 O ASN A 42 -4.095 -8.878 -6.495 1.00 0.00 O ATOM 682 CB ASN A 42 -6.799 -10.872 -6.651 1.00 0.00 C ATOM 683 CG ASN A 42 -7.173 -9.664 -7.452 1.00 0.00 C ATOM 684 OD1 ASN A 42 -7.086 -9.668 -8.671 1.00 0.00 O ATOM 685 ND2 ASN A 42 -7.649 -8.642 -6.773 1.00 0.00 N ATOM 0 H ASN A 42 -5.993 -12.241 -4.847 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.732 -11.173 -7.196 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.075 -11.766 -7.209 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.381 -10.879 -5.729 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.965 -7.806 -7.264 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.702 -8.686 -5.755 1.00 0.00 H new ATOM 692 N LEU A 43 -5.100 -9.298 -4.542 1.00 0.00 N ATOM 693 CA LEU A 43 -4.684 -8.038 -3.936 1.00 0.00 C ATOM 694 C LEU A 43 -3.206 -8.025 -3.705 1.00 0.00 C ATOM 695 O LEU A 43 -2.548 -7.028 -3.946 1.00 0.00 O ATOM 696 CB LEU A 43 -5.394 -7.820 -2.620 1.00 0.00 C ATOM 697 CG LEU A 43 -6.901 -7.804 -2.684 1.00 0.00 C ATOM 698 CD1 LEU A 43 -7.473 -7.712 -1.292 1.00 0.00 C ATOM 699 CD2 LEU A 43 -7.398 -6.657 -3.556 1.00 0.00 C ATOM 0 H LEU A 43 -5.642 -9.903 -3.925 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.947 -7.235 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.086 -8.604 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.057 -6.873 -2.199 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.241 -8.734 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.562 -7.701 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.147 -8.572 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.124 -6.796 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.488 -6.668 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.056 -5.709 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.007 -6.772 -4.567 1.00 0.00 H new ATOM 711 N VAL A 44 -2.683 -9.141 -3.259 1.00 0.00 N ATOM 712 CA VAL A 44 -1.292 -9.244 -2.987 1.00 0.00 C ATOM 713 C VAL A 44 -0.526 -9.301 -4.297 1.00 0.00 C ATOM 714 O VAL A 44 0.574 -8.820 -4.374 1.00 0.00 O ATOM 715 CB VAL A 44 -0.943 -10.444 -2.059 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.881 -11.790 -2.778 1.00 0.00 C ATOM 717 CG2 VAL A 44 0.299 -10.165 -1.245 1.00 0.00 C ATOM 0 H VAL A 44 -3.216 -9.992 -3.079 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.990 -8.355 -2.434 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.779 -10.541 -1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.633 -12.574 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.849 -12.006 -3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.117 -11.753 -3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.516 -11.022 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.141 -9.988 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.137 -9.283 -0.625 1.00 0.00 H new ATOM 727 N ALA A 45 -1.150 -9.867 -5.339 1.00 0.00 N ATOM 728 CA ALA A 45 -0.562 -9.870 -6.671 1.00 0.00 C ATOM 729 C ALA A 45 -0.383 -8.418 -7.131 1.00 0.00 C ATOM 730 O ALA A 45 0.707 -8.019 -7.543 1.00 0.00 O ATOM 731 CB ALA A 45 -1.446 -10.654 -7.645 1.00 0.00 C ATOM 0 H ALA A 45 -2.059 -10.326 -5.278 1.00 0.00 H new ATOM 0 HA ALA A 45 0.411 -10.362 -6.647 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.992 -10.646 -8.636 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.545 -11.683 -7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.432 -10.192 -7.694 1.00 0.00 H new ATOM 737 N TYR A 46 -1.462 -7.628 -6.990 1.00 0.00 N ATOM 738 CA TYR A 46 -1.455 -6.176 -7.261 1.00 0.00 C ATOM 739 C TYR A 46 -0.420 -5.489 -6.400 1.00 0.00 C ATOM 740 O TYR A 46 0.327 -4.650 -6.874 1.00 0.00 O ATOM 741 CB TYR A 46 -2.867 -5.567 -6.999 1.00 0.00 C ATOM 742 CG TYR A 46 -2.926 -4.029 -6.809 1.00 0.00 C ATOM 743 CD1 TYR A 46 -2.691 -3.458 -5.557 1.00 0.00 C ATOM 744 CD2 TYR A 46 -3.227 -3.170 -7.847 1.00 0.00 C ATOM 745 CE1 TYR A 46 -2.750 -2.089 -5.350 1.00 0.00 C ATOM 746 CE2 TYR A 46 -3.287 -1.798 -7.632 1.00 0.00 C ATOM 747 CZ TYR A 46 -3.051 -1.269 -6.401 1.00 0.00 C ATOM 748 OH TYR A 46 -3.121 0.108 -6.231 1.00 0.00 O ATOM 0 H TYR A 46 -2.369 -7.979 -6.683 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.199 -6.019 -8.309 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.515 -5.834 -7.834 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.283 -6.038 -6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.456 -4.103 -4.724 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.417 -3.567 -8.833 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.561 -1.675 -4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.525 -1.141 -8.456 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.498 0.518 -7.037 1.00 0.00 H new ATOM 758 N ALA A 47 -0.374 -5.841 -5.157 1.00 0.00 N ATOM 759 CA ALA A 47 0.537 -5.213 -4.257 1.00 0.00 C ATOM 760 C ALA A 47 1.982 -5.538 -4.604 1.00 0.00 C ATOM 761 O ALA A 47 2.813 -4.676 -4.575 1.00 0.00 O ATOM 762 CB ALA A 47 0.196 -5.527 -2.818 1.00 0.00 C ATOM 0 H ALA A 47 -0.960 -6.564 -4.740 1.00 0.00 H new ATOM 0 HA ALA A 47 0.430 -4.135 -4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.910 -5.033 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.810 -5.170 -2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.242 -6.605 -2.660 1.00 0.00 H new ATOM 768 N LYS A 48 2.244 -6.766 -4.988 1.00 0.00 N ATOM 769 CA LYS A 48 3.582 -7.195 -5.387 1.00 0.00 C ATOM 770 C LYS A 48 4.015 -6.556 -6.704 1.00 0.00 C ATOM 771 O LYS A 48 5.172 -6.167 -6.858 1.00 0.00 O ATOM 772 CB LYS A 48 3.638 -8.705 -5.486 1.00 0.00 C ATOM 773 CG LYS A 48 3.563 -9.408 -4.147 1.00 0.00 C ATOM 774 CD LYS A 48 3.331 -10.887 -4.339 1.00 0.00 C ATOM 775 CE LYS A 48 3.472 -11.660 -3.042 1.00 0.00 C ATOM 776 NZ LYS A 48 4.844 -11.585 -2.491 1.00 0.00 N ATOM 0 H LYS A 48 1.541 -7.503 -5.036 1.00 0.00 H new ATOM 0 HA LYS A 48 4.280 -6.861 -4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.816 -9.049 -6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.563 -8.993 -5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.488 -9.248 -3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.756 -8.982 -3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.334 -11.047 -4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.042 -11.273 -5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.766 -11.268 -2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.208 -12.704 -3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.982 -12.348 -1.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.534 -11.688 -3.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.981 -10.666 -2.025 1.00 0.00 H new ATOM 790 N LYS A 49 3.097 -6.452 -7.660 1.00 0.00 N ATOM 791 CA LYS A 49 3.411 -5.781 -8.924 1.00 0.00 C ATOM 792 C LYS A 49 3.679 -4.310 -8.687 1.00 0.00 C ATOM 793 O LYS A 49 4.614 -3.740 -9.245 1.00 0.00 O ATOM 794 CB LYS A 49 2.316 -5.952 -9.998 1.00 0.00 C ATOM 795 CG LYS A 49 0.909 -5.717 -9.545 1.00 0.00 C ATOM 796 CD LYS A 49 0.065 -5.150 -10.660 1.00 0.00 C ATOM 797 CE LYS A 49 0.261 -3.642 -10.724 1.00 0.00 C ATOM 798 NZ LYS A 49 -0.111 -3.078 -12.031 1.00 0.00 N ATOM 0 H LYS A 49 2.146 -6.815 -7.590 1.00 0.00 H new ATOM 0 HA LYS A 49 4.307 -6.265 -9.312 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.531 -5.268 -10.819 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.383 -6.963 -10.399 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.475 -6.654 -9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.906 -5.031 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.344 -5.605 -11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.986 -5.385 -10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.336 -3.168 -9.945 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.304 -3.406 -10.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.341 -2.149 -12.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.207 -3.716 -12.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.144 -2.970 -12.081 1.00 0.00 H new ATOM 812 N VAL A 50 2.868 -3.716 -7.839 1.00 0.00 N ATOM 813 CA VAL A 50 3.005 -2.332 -7.483 1.00 0.00 C ATOM 814 C VAL A 50 4.315 -2.097 -6.724 1.00 0.00 C ATOM 815 O VAL A 50 5.132 -1.287 -7.150 1.00 0.00 O ATOM 816 CB VAL A 50 1.749 -1.836 -6.691 1.00 0.00 C ATOM 817 CG1 VAL A 50 1.999 -0.536 -5.987 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.587 -1.651 -7.650 1.00 0.00 C ATOM 0 H VAL A 50 2.091 -4.189 -7.377 1.00 0.00 H new ATOM 0 HA VAL A 50 3.057 -1.735 -8.394 1.00 0.00 H new ATOM 0 HB VAL A 50 1.520 -2.592 -5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.099 -0.233 -5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.819 -0.657 -5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.261 0.229 -6.718 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.288 -1.306 -7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.854 -0.913 -8.407 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.360 -2.601 -8.134 1.00 0.00 H new ATOM 828 N GLU A 51 4.531 -2.872 -5.674 1.00 0.00 N ATOM 829 CA GLU A 51 5.717 -2.776 -4.828 1.00 0.00 C ATOM 830 C GLU A 51 6.970 -2.971 -5.665 1.00 0.00 C ATOM 831 O GLU A 51 7.850 -2.125 -5.656 1.00 0.00 O ATOM 832 CB GLU A 51 5.603 -3.814 -3.694 1.00 0.00 C ATOM 833 CG GLU A 51 6.674 -3.782 -2.594 1.00 0.00 C ATOM 834 CD GLU A 51 7.977 -4.470 -2.971 1.00 0.00 C ATOM 835 OE1 GLU A 51 7.932 -5.546 -3.602 1.00 0.00 O ATOM 836 OE2 GLU A 51 9.052 -4.007 -2.569 1.00 0.00 O ATOM 0 H GLU A 51 3.879 -3.598 -5.378 1.00 0.00 H new ATOM 0 HA GLU A 51 5.787 -1.786 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.630 -3.689 -3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.613 -4.807 -4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.885 -2.744 -2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.273 -4.255 -1.698 1.00 0.00 H new ATOM 843 N GLY A 52 6.997 -4.047 -6.440 1.00 0.00 N ATOM 844 CA GLY A 52 8.131 -4.353 -7.290 1.00 0.00 C ATOM 845 C GLY A 52 8.433 -3.257 -8.287 1.00 0.00 C ATOM 846 O GLY A 52 9.601 -2.932 -8.526 1.00 0.00 O ATOM 0 H GLY A 52 6.237 -4.726 -6.495 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.010 -4.523 -6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.936 -5.282 -7.827 1.00 0.00 H new ATOM 850 N ASP A 53 7.385 -2.664 -8.840 1.00 0.00 N ATOM 851 CA ASP A 53 7.524 -1.575 -9.811 1.00 0.00 C ATOM 852 C ASP A 53 8.242 -0.385 -9.193 1.00 0.00 C ATOM 853 O ASP A 53 9.244 0.116 -9.728 1.00 0.00 O ATOM 854 CB ASP A 53 6.153 -1.134 -10.309 1.00 0.00 C ATOM 855 CG ASP A 53 6.232 -0.032 -11.335 1.00 0.00 C ATOM 856 OD1 ASP A 53 6.491 -0.326 -12.521 1.00 0.00 O ATOM 857 OD2 ASP A 53 6.016 1.152 -10.988 1.00 0.00 O ATOM 0 H ASP A 53 6.419 -2.918 -8.634 1.00 0.00 H new ATOM 0 HA ASP A 53 8.114 -1.946 -10.649 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.635 -1.990 -10.741 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.556 -0.794 -9.463 1.00 0.00 H new ATOM 862 N MET A 54 7.751 0.036 -8.059 1.00 0.00 N ATOM 863 CA MET A 54 8.313 1.176 -7.348 1.00 0.00 C ATOM 864 C MET A 54 9.634 0.871 -6.680 1.00 0.00 C ATOM 865 O MET A 54 10.470 1.760 -6.521 1.00 0.00 O ATOM 866 CB MET A 54 7.303 1.838 -6.415 1.00 0.00 C ATOM 867 CG MET A 54 6.474 0.929 -5.583 1.00 0.00 C ATOM 868 SD MET A 54 4.797 1.583 -5.386 1.00 0.00 S ATOM 869 CE MET A 54 4.299 1.816 -7.098 1.00 0.00 C ATOM 0 H MET A 54 6.951 -0.394 -7.594 1.00 0.00 H new ATOM 0 HA MET A 54 8.547 1.919 -8.110 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.844 2.511 -5.750 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.635 2.454 -7.017 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.432 -0.057 -6.046 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.937 0.802 -4.604 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.212 1.866 -7.157 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.727 2.744 -7.478 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.656 0.979 -7.698 1.00 0.00 H new ATOM 879 N TYR A 55 9.830 -0.378 -6.328 1.00 0.00 N ATOM 880 CA TYR A 55 11.088 -0.863 -5.794 1.00 0.00 C ATOM 881 C TYR A 55 12.153 -0.663 -6.870 1.00 0.00 C ATOM 882 O TYR A 55 13.182 -0.092 -6.633 1.00 0.00 O ATOM 883 CB TYR A 55 10.910 -2.353 -5.445 1.00 0.00 C ATOM 884 CG TYR A 55 12.086 -3.084 -4.837 1.00 0.00 C ATOM 885 CD1 TYR A 55 12.414 -2.931 -3.498 1.00 0.00 C ATOM 886 CD2 TYR A 55 12.823 -3.985 -5.593 1.00 0.00 C ATOM 887 CE1 TYR A 55 13.445 -3.655 -2.929 1.00 0.00 C ATOM 888 CE2 TYR A 55 13.863 -4.704 -5.037 1.00 0.00 C ATOM 889 CZ TYR A 55 14.169 -4.538 -3.704 1.00 0.00 C ATOM 890 OH TYR A 55 15.184 -5.286 -3.133 1.00 0.00 O ATOM 0 H TYR A 55 9.112 -1.099 -6.404 1.00 0.00 H new ATOM 0 HA TYR A 55 11.392 -0.329 -4.894 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.071 -2.436 -4.754 1.00 0.00 H new ATOM 0 HB3 TYR A 55 10.625 -2.878 -6.357 1.00 0.00 H new ATOM 0 HD1 TYR A 55 11.855 -2.235 -2.890 1.00 0.00 H new ATOM 0 HD2 TYR A 55 12.579 -4.127 -6.635 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.683 -3.530 -1.883 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.433 -5.392 -5.644 1.00 0.00 H new ATOM 0 HH TYR A 55 15.592 -5.858 -3.816 1.00 0.00 H new ATOM 900 N GLU A 56 11.835 -1.064 -8.077 1.00 0.00 N ATOM 901 CA GLU A 56 12.742 -0.894 -9.203 1.00 0.00 C ATOM 902 C GLU A 56 12.820 0.562 -9.684 1.00 0.00 C ATOM 903 O GLU A 56 13.797 0.955 -10.319 1.00 0.00 O ATOM 904 CB GLU A 56 12.335 -1.810 -10.348 1.00 0.00 C ATOM 905 CG GLU A 56 12.614 -3.270 -10.074 1.00 0.00 C ATOM 906 CD GLU A 56 14.087 -3.538 -9.990 1.00 0.00 C ATOM 907 OE1 GLU A 56 14.751 -3.599 -11.052 1.00 0.00 O ATOM 908 OE2 GLU A 56 14.639 -3.641 -8.886 1.00 0.00 O ATOM 0 H GLU A 56 10.951 -1.514 -8.313 1.00 0.00 H new ATOM 0 HA GLU A 56 13.739 -1.167 -8.856 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.271 -1.682 -10.546 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.866 -1.509 -11.251 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.135 -3.565 -9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.176 -3.880 -10.864 1.00 0.00 H new ATOM 915 N SER A 57 11.801 1.338 -9.389 1.00 0.00 N ATOM 916 CA SER A 57 11.736 2.723 -9.827 1.00 0.00 C ATOM 917 C SER A 57 12.626 3.646 -8.972 1.00 0.00 C ATOM 918 O SER A 57 13.167 4.626 -9.473 1.00 0.00 O ATOM 919 CB SER A 57 10.277 3.216 -9.771 1.00 0.00 C ATOM 920 OG SER A 57 10.107 4.462 -10.444 1.00 0.00 O ATOM 0 H SER A 57 10.996 1.033 -8.842 1.00 0.00 H new ATOM 0 HA SER A 57 12.108 2.762 -10.851 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.624 2.469 -10.222 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.970 3.321 -8.731 1.00 0.00 H new ATOM 0 HG SER A 57 9.169 4.739 -10.387 1.00 0.00 H new ATOM 926 N ALA A 58 12.775 3.331 -7.708 1.00 0.00 N ATOM 927 CA ALA A 58 13.468 4.213 -6.795 1.00 0.00 C ATOM 928 C ALA A 58 14.961 3.962 -6.734 1.00 0.00 C ATOM 929 O ALA A 58 15.471 2.972 -7.269 1.00 0.00 O ATOM 930 CB ALA A 58 12.872 4.101 -5.427 1.00 0.00 C ATOM 0 H ALA A 58 12.426 2.470 -7.286 1.00 0.00 H new ATOM 0 HA ALA A 58 13.340 5.225 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.399 4.768 -4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.819 4.379 -5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.964 3.074 -5.073 1.00 0.00 H new ATOM 936 N ASN A 59 15.659 4.875 -6.087 1.00 0.00 N ATOM 937 CA ASN A 59 17.094 4.790 -5.907 1.00 0.00 C ATOM 938 C ASN A 59 17.458 4.762 -4.418 1.00 0.00 C ATOM 939 O ASN A 59 18.616 4.986 -4.032 1.00 0.00 O ATOM 940 CB ASN A 59 17.793 5.944 -6.619 1.00 0.00 C ATOM 941 CG ASN A 59 17.426 7.324 -6.093 1.00 0.00 C ATOM 942 OD1 ASN A 59 16.315 7.562 -5.593 1.00 0.00 O ATOM 943 ND2 ASN A 59 18.328 8.241 -6.228 1.00 0.00 N ATOM 0 H ASN A 59 15.241 5.705 -5.667 1.00 0.00 H new ATOM 0 HA ASN A 59 17.439 3.857 -6.352 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.871 5.810 -6.530 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.553 5.898 -7.681 1.00 0.00 H new ATOM 0 HD21 ASN A 59 18.137 9.194 -5.919 1.00 0.00 H new ATOM 0 HD22 ASN A 59 19.231 8.011 -6.643 1.00 0.00 H new ATOM 950 N SER A 60 16.468 4.455 -3.604 1.00 0.00 N ATOM 951 CA SER A 60 16.627 4.234 -2.186 1.00 0.00 C ATOM 952 C SER A 60 15.361 3.623 -1.658 1.00 0.00 C ATOM 953 O SER A 60 14.280 3.843 -2.227 1.00 0.00 O ATOM 954 CB SER A 60 17.011 5.507 -1.419 1.00 0.00 C ATOM 955 OG SER A 60 16.052 6.555 -1.549 1.00 0.00 O ATOM 0 H SER A 60 15.505 4.350 -3.923 1.00 0.00 H new ATOM 0 HA SER A 60 17.462 3.551 -2.031 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.133 5.264 -0.363 1.00 0.00 H new ATOM 0 HB3 SER A 60 17.977 5.862 -1.778 1.00 0.00 H new ATOM 0 HG SER A 60 15.929 6.995 -0.682 1.00 0.00 H new ATOM 961 N ARG A 61 15.465 2.830 -0.603 1.00 0.00 N ATOM 962 CA ARG A 61 14.279 2.151 -0.076 1.00 0.00 C ATOM 963 C ARG A 61 13.324 3.128 0.538 1.00 0.00 C ATOM 964 O ARG A 61 12.142 2.968 0.446 1.00 0.00 O ATOM 965 CB ARG A 61 14.581 0.979 0.887 1.00 0.00 C ATOM 966 CG ARG A 61 15.123 1.314 2.280 1.00 0.00 C ATOM 967 CD ARG A 61 16.392 2.061 2.211 1.00 0.00 C ATOM 968 NE ARG A 61 17.085 2.101 3.504 1.00 0.00 N ATOM 969 CZ ARG A 61 17.774 3.148 3.996 1.00 0.00 C ATOM 970 NH1 ARG A 61 17.672 4.353 3.444 1.00 0.00 N ATOM 971 NH2 ARG A 61 18.516 2.990 5.080 1.00 0.00 N ATOM 0 H ARG A 61 16.333 2.640 -0.101 1.00 0.00 H new ATOM 0 HA ARG A 61 13.806 1.690 -0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.662 0.407 1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.300 0.322 0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.385 1.902 2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.274 0.392 2.842 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.042 1.601 1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.194 3.079 1.876 1.00 0.00 H new ATOM 0 HE ARG A 61 17.041 1.261 4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.065 4.494 2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.200 5.136 3.828 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.563 2.080 5.537 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.041 3.779 5.458 1.00 0.00 H new ATOM 985 N ASP A 62 13.866 4.163 1.118 1.00 0.00 N ATOM 986 CA ASP A 62 13.087 5.234 1.697 1.00 0.00 C ATOM 987 C ASP A 62 12.331 5.967 0.586 1.00 0.00 C ATOM 988 O ASP A 62 11.197 6.313 0.760 1.00 0.00 O ATOM 989 CB ASP A 62 14.017 6.192 2.464 1.00 0.00 C ATOM 990 CG ASP A 62 15.228 6.617 1.651 1.00 0.00 C ATOM 991 OD1 ASP A 62 16.224 5.858 1.625 1.00 0.00 O ATOM 992 OD2 ASP A 62 15.209 7.685 1.003 1.00 0.00 O ATOM 0 H ASP A 62 14.874 4.292 1.205 1.00 0.00 H new ATOM 0 HA ASP A 62 12.359 4.830 2.401 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.455 7.078 2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.353 5.708 3.381 1.00 0.00 H new ATOM 997 N GLU A 63 12.960 6.120 -0.586 1.00 0.00 N ATOM 998 CA GLU A 63 12.315 6.773 -1.733 1.00 0.00 C ATOM 999 C GLU A 63 11.184 5.905 -2.235 1.00 0.00 C ATOM 1000 O GLU A 63 10.083 6.386 -2.482 1.00 0.00 O ATOM 1001 CB GLU A 63 13.301 6.968 -2.876 1.00 0.00 C ATOM 1002 CG GLU A 63 12.750 7.765 -4.047 1.00 0.00 C ATOM 1003 CD GLU A 63 12.664 9.235 -3.733 1.00 0.00 C ATOM 1004 OE1 GLU A 63 13.725 9.874 -3.603 1.00 0.00 O ATOM 1005 OE2 GLU A 63 11.544 9.779 -3.606 1.00 0.00 O ATOM 0 H GLU A 63 13.912 5.802 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 63 11.946 7.744 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.188 7.473 -2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.621 5.990 -3.235 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.387 7.616 -4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.760 7.391 -4.308 1.00 0.00 H new ATOM 1012 N TYR A 64 11.474 4.615 -2.376 1.00 0.00 N ATOM 1013 CA TYR A 64 10.509 3.657 -2.850 1.00 0.00 C ATOM 1014 C TYR A 64 9.342 3.577 -1.876 1.00 0.00 C ATOM 1015 O TYR A 64 8.196 3.562 -2.279 1.00 0.00 O ATOM 1016 CB TYR A 64 11.213 2.303 -3.134 1.00 0.00 C ATOM 1017 CG TYR A 64 10.637 1.105 -2.477 1.00 0.00 C ATOM 1018 CD1 TYR A 64 9.572 0.430 -3.033 1.00 0.00 C ATOM 1019 CD2 TYR A 64 11.166 0.649 -1.292 1.00 0.00 C ATOM 1020 CE1 TYR A 64 9.045 -0.665 -2.425 1.00 0.00 C ATOM 1021 CE2 TYR A 64 10.645 -0.448 -0.668 1.00 0.00 C ATOM 1022 CZ TYR A 64 9.581 -1.102 -1.242 1.00 0.00 C ATOM 1023 OH TYR A 64 9.054 -2.186 -0.639 1.00 0.00 O ATOM 0 H TYR A 64 12.388 4.215 -2.162 1.00 0.00 H new ATOM 0 HA TYR A 64 10.077 3.971 -3.800 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.209 2.136 -4.211 1.00 0.00 H new ATOM 0 HB3 TYR A 64 12.256 2.391 -2.829 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.150 0.776 -3.965 1.00 0.00 H new ATOM 0 HD2 TYR A 64 12.005 1.166 -0.849 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.211 -1.187 -2.870 1.00 0.00 H new ATOM 0 HE2 TYR A 64 11.063 -0.797 0.264 1.00 0.00 H new ATOM 0 HH TYR A 64 9.053 -2.940 -1.265 1.00 0.00 H new ATOM 1033 N TYR A 65 9.668 3.587 -0.605 1.00 0.00 N ATOM 1034 CA TYR A 65 8.710 3.671 0.466 1.00 0.00 C ATOM 1035 C TYR A 65 7.878 4.946 0.294 1.00 0.00 C ATOM 1036 O TYR A 65 6.674 4.895 0.336 1.00 0.00 O ATOM 1037 CB TYR A 65 9.535 3.690 1.771 1.00 0.00 C ATOM 1038 CG TYR A 65 8.910 4.144 3.078 1.00 0.00 C ATOM 1039 CD1 TYR A 65 8.221 5.346 3.198 1.00 0.00 C ATOM 1040 CD2 TYR A 65 9.091 3.403 4.205 1.00 0.00 C ATOM 1041 CE1 TYR A 65 7.722 5.768 4.378 1.00 0.00 C ATOM 1042 CE2 TYR A 65 8.613 3.827 5.397 1.00 0.00 C ATOM 1043 CZ TYR A 65 7.922 5.012 5.486 1.00 0.00 C ATOM 1044 OH TYR A 65 7.449 5.441 6.689 1.00 0.00 O ATOM 0 H TYR A 65 10.634 3.535 -0.281 1.00 0.00 H new ATOM 0 HA TYR A 65 8.011 2.835 0.478 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.908 2.678 1.929 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.402 4.326 1.593 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.081 5.960 2.320 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.623 2.465 4.147 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.171 6.695 4.440 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.775 3.232 6.283 1.00 0.00 H new ATOM 0 HH TYR A 65 6.672 6.021 6.547 1.00 0.00 H new ATOM 1054 N HIS A 66 8.552 6.076 0.072 1.00 0.00 N ATOM 1055 CA HIS A 66 7.891 7.385 -0.053 1.00 0.00 C ATOM 1056 C HIS A 66 6.928 7.436 -1.207 1.00 0.00 C ATOM 1057 O HIS A 66 5.762 7.709 -1.014 1.00 0.00 O ATOM 1058 CB HIS A 66 8.887 8.563 -0.138 1.00 0.00 C ATOM 1059 CG HIS A 66 9.564 8.909 1.159 1.00 0.00 C ATOM 1060 ND1 HIS A 66 10.909 9.193 1.284 1.00 0.00 N ATOM 1061 CD2 HIS A 66 9.040 9.047 2.397 1.00 0.00 C ATOM 1062 CE1 HIS A 66 11.151 9.483 2.563 1.00 0.00 C ATOM 1063 NE2 HIS A 66 10.045 9.410 3.287 1.00 0.00 N ATOM 0 H HIS A 66 9.567 6.114 -0.026 1.00 0.00 H new ATOM 0 HA HIS A 66 7.323 7.501 0.870 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.651 8.323 -0.878 1.00 0.00 H new ATOM 0 HB3 HIS A 66 8.357 9.443 -0.502 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.002 8.898 2.655 1.00 0.00 H new ATOM 0 HE1 HIS A 66 12.122 9.743 2.957 1.00 0.00 H new ATOM 0 HE2 HIS A 66 9.950 9.584 4.288 1.00 0.00 H new ATOM 1071 N LEU A 67 7.402 7.139 -2.394 1.00 0.00 N ATOM 1072 CA LEU A 67 6.558 7.193 -3.572 1.00 0.00 C ATOM 1073 C LEU A 67 5.415 6.147 -3.528 1.00 0.00 C ATOM 1074 O LEU A 67 4.311 6.369 -4.081 1.00 0.00 O ATOM 1075 CB LEU A 67 7.392 7.214 -4.905 1.00 0.00 C ATOM 1076 CG LEU A 67 8.476 6.136 -5.117 1.00 0.00 C ATOM 1077 CD1 LEU A 67 7.899 4.778 -5.190 1.00 0.00 C ATOM 1078 CD2 LEU A 67 9.277 6.396 -6.371 1.00 0.00 C ATOM 0 H LEU A 67 8.366 6.857 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 67 6.043 8.153 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.690 7.145 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.876 8.188 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 67 9.134 6.193 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.697 4.051 -5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.375 4.555 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.199 4.725 -6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.031 5.618 -6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.612 6.391 -7.235 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.766 7.367 -6.295 1.00 0.00 H new ATOM 1090 N LEU A 68 5.663 5.026 -2.858 1.00 0.00 N ATOM 1091 CA LEU A 68 4.641 4.027 -2.720 1.00 0.00 C ATOM 1092 C LEU A 68 3.632 4.491 -1.673 1.00 0.00 C ATOM 1093 O LEU A 68 2.420 4.330 -1.865 1.00 0.00 O ATOM 1094 CB LEU A 68 5.248 2.617 -2.435 1.00 0.00 C ATOM 1095 CG LEU A 68 5.354 2.080 -1.012 1.00 0.00 C ATOM 1096 CD1 LEU A 68 4.019 1.533 -0.551 1.00 0.00 C ATOM 1097 CD2 LEU A 68 6.386 0.990 -0.965 1.00 0.00 C ATOM 0 H LEU A 68 6.552 4.800 -2.413 1.00 0.00 H new ATOM 0 HA LEU A 68 4.105 3.909 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.662 1.896 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.254 2.612 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 68 5.646 2.895 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.113 1.154 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.273 2.327 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.709 0.724 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.463 0.605 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.094 0.183 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.351 1.389 -1.276 1.00 0.00 H new ATOM 1109 N ALA A 69 4.138 5.121 -0.583 1.00 0.00 N ATOM 1110 CA ALA A 69 3.306 5.678 0.464 1.00 0.00 C ATOM 1111 C ALA A 69 2.413 6.776 -0.118 1.00 0.00 C ATOM 1112 O ALA A 69 1.308 6.983 0.342 1.00 0.00 O ATOM 1113 CB ALA A 69 4.153 6.175 1.656 1.00 0.00 C ATOM 0 H ALA A 69 5.138 5.247 -0.424 1.00 0.00 H new ATOM 0 HA ALA A 69 2.661 4.894 0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.496 6.586 2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.719 5.342 2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.842 6.948 1.316 1.00 0.00 H new ATOM 1119 N GLU A 70 2.900 7.428 -1.162 1.00 0.00 N ATOM 1120 CA GLU A 70 2.138 8.418 -1.914 1.00 0.00 C ATOM 1121 C GLU A 70 0.984 7.779 -2.676 1.00 0.00 C ATOM 1122 O GLU A 70 -0.177 8.212 -2.558 1.00 0.00 O ATOM 1123 CB GLU A 70 3.035 9.122 -2.908 1.00 0.00 C ATOM 1124 CG GLU A 70 4.054 10.021 -2.283 1.00 0.00 C ATOM 1125 CD GLU A 70 3.426 11.205 -1.612 1.00 0.00 C ATOM 1126 OE1 GLU A 70 2.631 11.902 -2.268 1.00 0.00 O ATOM 1127 OE2 GLU A 70 3.776 11.505 -0.480 1.00 0.00 O ATOM 0 H GLU A 70 3.846 7.285 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 70 1.736 9.129 -1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.548 8.373 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.416 9.709 -3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.635 9.457 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.750 10.365 -3.047 1.00 0.00 H new ATOM 1134 N LYS A 71 1.282 6.750 -3.475 1.00 0.00 N ATOM 1135 CA LYS A 71 0.227 6.132 -4.266 1.00 0.00 C ATOM 1136 C LYS A 71 -0.805 5.438 -3.377 1.00 0.00 C ATOM 1137 O LYS A 71 -1.997 5.465 -3.664 1.00 0.00 O ATOM 1138 CB LYS A 71 0.771 5.218 -5.414 1.00 0.00 C ATOM 1139 CG LYS A 71 1.468 3.908 -5.003 1.00 0.00 C ATOM 1140 CD LYS A 71 0.493 2.761 -4.634 1.00 0.00 C ATOM 1141 CE LYS A 71 -0.212 2.100 -5.847 1.00 0.00 C ATOM 1142 NZ LYS A 71 -1.127 2.986 -6.609 1.00 0.00 N ATOM 0 H LYS A 71 2.211 6.343 -3.587 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.295 6.939 -4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.063 4.965 -6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.475 5.803 -6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.108 3.577 -5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.118 4.107 -4.151 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.044 1.995 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.267 3.151 -3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.551 1.721 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.778 1.239 -5.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.812 2.407 -7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.635 3.609 -5.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.576 3.563 -7.276 1.00 0.00 H new ATOM 1156 N ILE A 72 -0.354 4.852 -2.285 1.00 0.00 N ATOM 1157 CA ILE A 72 -1.262 4.188 -1.379 1.00 0.00 C ATOM 1158 C ILE A 72 -2.149 5.237 -0.674 1.00 0.00 C ATOM 1159 O ILE A 72 -3.342 5.051 -0.548 1.00 0.00 O ATOM 1160 CB ILE A 72 -0.516 3.257 -0.361 1.00 0.00 C ATOM 1161 CG1 ILE A 72 -1.482 2.485 0.480 1.00 0.00 C ATOM 1162 CG2 ILE A 72 0.411 4.003 0.529 1.00 0.00 C ATOM 1163 CD1 ILE A 72 -0.834 1.708 1.606 1.00 0.00 C ATOM 0 H ILE A 72 0.627 4.823 -2.008 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.905 3.526 -1.959 1.00 0.00 H new ATOM 0 HB ILE A 72 0.074 2.570 -0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.213 3.175 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.030 1.791 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.899 3.307 1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.165 4.509 -0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.150 4.741 1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.601 1.175 2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.124 0.992 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.310 2.397 2.269 1.00 0.00 H new ATOM 1175 N TYR A 73 -1.536 6.358 -0.302 1.00 0.00 N ATOM 1176 CA TYR A 73 -2.196 7.514 0.322 1.00 0.00 C ATOM 1177 C TYR A 73 -3.398 7.978 -0.496 1.00 0.00 C ATOM 1178 O TYR A 73 -4.544 8.051 0.016 1.00 0.00 O ATOM 1179 CB TYR A 73 -1.136 8.637 0.416 1.00 0.00 C ATOM 1180 CG TYR A 73 -1.611 10.028 0.727 1.00 0.00 C ATOM 1181 CD1 TYR A 73 -1.984 10.889 -0.291 1.00 0.00 C ATOM 1182 CD2 TYR A 73 -1.653 10.489 2.014 1.00 0.00 C ATOM 1183 CE1 TYR A 73 -2.396 12.164 -0.022 1.00 0.00 C ATOM 1184 CE2 TYR A 73 -2.063 11.761 2.298 1.00 0.00 C ATOM 1185 CZ TYR A 73 -2.432 12.594 1.278 1.00 0.00 C ATOM 1186 OH TYR A 73 -2.868 13.854 1.564 1.00 0.00 O ATOM 0 H TYR A 73 -0.533 6.497 -0.428 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.576 7.247 1.308 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.413 8.352 1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.600 8.671 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.949 10.547 -1.315 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.357 9.835 2.821 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.690 12.824 -0.825 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.095 12.106 3.321 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.832 14.001 2.532 1.00 0.00 H new ATOM 1196 N LYS A 74 -3.147 8.248 -1.764 1.00 0.00 N ATOM 1197 CA LYS A 74 -4.172 8.757 -2.639 1.00 0.00 C ATOM 1198 C LYS A 74 -5.233 7.716 -2.892 1.00 0.00 C ATOM 1199 O LYS A 74 -6.397 8.044 -2.959 1.00 0.00 O ATOM 1200 CB LYS A 74 -3.577 9.302 -3.936 1.00 0.00 C ATOM 1201 CG LYS A 74 -2.880 8.271 -4.809 1.00 0.00 C ATOM 1202 CD LYS A 74 -2.113 8.922 -5.960 1.00 0.00 C ATOM 1203 CE LYS A 74 -0.998 9.831 -5.446 1.00 0.00 C ATOM 1204 NZ LYS A 74 -0.287 10.543 -6.529 1.00 0.00 N ATOM 0 H LYS A 74 -2.237 8.121 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.657 9.595 -2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.374 9.767 -4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.863 10.088 -3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.192 7.685 -4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.618 7.578 -5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.688 8.148 -6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.801 9.501 -6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.421 10.561 -4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.282 9.234 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.457 11.143 -6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.143 9.851 -7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.960 11.136 -7.055 1.00 0.00 H new ATOM 1218 N ILE A 75 -4.822 6.454 -2.971 1.00 0.00 N ATOM 1219 CA ILE A 75 -5.749 5.358 -3.153 1.00 0.00 C ATOM 1220 C ILE A 75 -6.710 5.260 -1.975 1.00 0.00 C ATOM 1221 O ILE A 75 -7.918 5.051 -2.168 1.00 0.00 O ATOM 1222 CB ILE A 75 -4.991 4.000 -3.412 1.00 0.00 C ATOM 1223 CG1 ILE A 75 -4.867 3.707 -4.913 1.00 0.00 C ATOM 1224 CG2 ILE A 75 -5.625 2.811 -2.690 1.00 0.00 C ATOM 1225 CD1 ILE A 75 -4.190 4.789 -5.743 1.00 0.00 C ATOM 0 H ILE A 75 -3.844 6.171 -2.911 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.344 5.562 -4.044 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.993 4.132 -2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.311 2.778 -5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.866 3.538 -5.315 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.057 1.907 -2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.618 2.992 -1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.653 2.685 -3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.156 4.479 -6.787 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.754 5.718 -5.659 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.175 4.946 -5.378 1.00 0.00 H new ATOM 1237 N GLN A 76 -6.184 5.476 -0.770 1.00 0.00 N ATOM 1238 CA GLN A 76 -6.990 5.376 0.429 1.00 0.00 C ATOM 1239 C GLN A 76 -8.051 6.415 0.440 1.00 0.00 C ATOM 1240 O GLN A 76 -9.237 6.098 0.505 1.00 0.00 O ATOM 1241 CB GLN A 76 -6.171 5.501 1.699 1.00 0.00 C ATOM 1242 CG GLN A 76 -5.098 4.473 1.821 1.00 0.00 C ATOM 1243 CD GLN A 76 -4.623 4.299 3.243 1.00 0.00 C ATOM 1244 OE1 GLN A 76 -5.383 4.497 4.200 1.00 0.00 O ATOM 1245 NE2 GLN A 76 -3.388 3.907 3.404 1.00 0.00 N ATOM 0 H GLN A 76 -5.207 5.720 -0.606 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.436 4.382 0.409 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.719 6.492 1.734 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.836 5.424 2.559 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.469 3.519 1.446 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.254 4.757 1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.791 3.754 2.591 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.020 3.754 4.343 1.00 0.00 H new ATOM 1254 N LYS A 77 -7.645 7.661 0.313 1.00 0.00 N ATOM 1255 CA LYS A 77 -8.589 8.716 0.381 1.00 0.00 C ATOM 1256 C LYS A 77 -9.536 8.724 -0.805 1.00 0.00 C ATOM 1257 O LYS A 77 -10.680 9.127 -0.662 1.00 0.00 O ATOM 1258 CB LYS A 77 -7.891 10.017 0.585 1.00 0.00 C ATOM 1259 CG LYS A 77 -6.778 10.293 -0.408 1.00 0.00 C ATOM 1260 CD LYS A 77 -6.174 11.648 -0.151 1.00 0.00 C ATOM 1261 CE LYS A 77 -5.848 11.880 1.328 1.00 0.00 C ATOM 1262 NZ LYS A 77 -5.518 13.296 1.622 1.00 0.00 N ATOM 0 H LYS A 77 -6.678 7.949 0.165 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.228 8.548 1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.623 10.822 0.524 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.476 10.039 1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.010 9.524 -0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.169 10.248 -1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.263 11.753 -0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.864 12.419 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.699 11.575 1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.008 11.247 1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.588 13.463 2.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.549 13.500 1.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.185 13.919 1.123 1.00 0.00 H new ATOM 1276 N GLU A 78 -9.064 8.226 -1.953 1.00 0.00 N ATOM 1277 CA GLU A 78 -9.888 8.095 -3.136 1.00 0.00 C ATOM 1278 C GLU A 78 -11.078 7.220 -2.836 1.00 0.00 C ATOM 1279 O GLU A 78 -12.206 7.656 -2.999 1.00 0.00 O ATOM 1280 CB GLU A 78 -9.056 7.513 -4.297 1.00 0.00 C ATOM 1281 CG GLU A 78 -9.826 7.148 -5.577 1.00 0.00 C ATOM 1282 CD GLU A 78 -10.727 8.227 -6.118 1.00 0.00 C ATOM 1283 OE1 GLU A 78 -10.243 9.313 -6.478 1.00 0.00 O ATOM 1284 OE2 GLU A 78 -11.943 7.987 -6.219 1.00 0.00 O ATOM 0 H GLU A 78 -8.103 7.907 -2.077 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.250 9.079 -3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.283 8.235 -4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.548 6.618 -3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.106 6.878 -6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.428 6.261 -5.378 1.00 0.00 H new ATOM 1291 N LEU A 79 -10.828 6.023 -2.308 1.00 0.00 N ATOM 1292 CA LEU A 79 -11.902 5.088 -2.030 1.00 0.00 C ATOM 1293 C LEU A 79 -12.806 5.586 -0.916 1.00 0.00 C ATOM 1294 O LEU A 79 -14.052 5.481 -1.010 1.00 0.00 O ATOM 1295 CB LEU A 79 -11.366 3.657 -1.792 1.00 0.00 C ATOM 1296 CG LEU A 79 -10.400 3.411 -0.621 1.00 0.00 C ATOM 1297 CD1 LEU A 79 -11.139 3.117 0.683 1.00 0.00 C ATOM 1298 CD2 LEU A 79 -9.434 2.298 -0.968 1.00 0.00 C ATOM 0 H LEU A 79 -9.896 5.685 -2.068 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.530 5.028 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.226 3.002 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.865 3.336 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.834 4.328 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.416 2.950 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.774 3.965 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.755 2.226 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.755 2.132 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.991 1.383 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.860 2.577 -1.852 1.00 0.00 H new ATOM 1310 N GLU A 80 -12.199 6.193 0.091 1.00 0.00 N ATOM 1311 CA GLU A 80 -12.934 6.706 1.208 1.00 0.00 C ATOM 1312 C GLU A 80 -13.904 7.809 0.783 1.00 0.00 C ATOM 1313 O GLU A 80 -15.099 7.685 1.012 1.00 0.00 O ATOM 1314 CB GLU A 80 -12.000 7.175 2.336 1.00 0.00 C ATOM 1315 CG GLU A 80 -11.192 6.050 2.981 1.00 0.00 C ATOM 1316 CD GLU A 80 -10.384 6.498 4.181 1.00 0.00 C ATOM 1317 OE1 GLU A 80 -9.438 7.282 4.029 1.00 0.00 O ATOM 1318 OE2 GLU A 80 -10.710 6.073 5.325 1.00 0.00 O ATOM 0 H GLU A 80 -11.191 6.337 0.146 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.531 5.886 1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.312 7.921 1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.595 7.668 3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.872 5.255 3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.518 5.625 2.237 1.00 0.00 H new ATOM 1325 N GLU A 81 -13.422 8.831 0.088 1.00 0.00 N ATOM 1326 CA GLU A 81 -14.292 9.944 -0.279 1.00 0.00 C ATOM 1327 C GLU A 81 -15.290 9.564 -1.368 1.00 0.00 C ATOM 1328 O GLU A 81 -16.435 10.047 -1.355 1.00 0.00 O ATOM 1329 CB GLU A 81 -13.519 11.196 -0.699 1.00 0.00 C ATOM 1330 CG GLU A 81 -12.686 11.020 -1.946 1.00 0.00 C ATOM 1331 CD GLU A 81 -12.145 12.307 -2.461 1.00 0.00 C ATOM 1332 OE1 GLU A 81 -11.175 12.837 -1.901 1.00 0.00 O ATOM 1333 OE2 GLU A 81 -12.693 12.825 -3.468 1.00 0.00 O ATOM 0 H GLU A 81 -12.456 8.914 -0.228 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.843 10.183 0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -14.227 12.009 -0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.867 11.499 0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.859 10.342 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.293 10.550 -2.720 1.00 0.00 H new ATOM 1340 N LYS A 82 -14.887 8.688 -2.302 1.00 0.00 N ATOM 1341 CA LYS A 82 -15.788 8.324 -3.379 1.00 0.00 C ATOM 1342 C LYS A 82 -17.001 7.610 -2.866 1.00 0.00 C ATOM 1343 O LYS A 82 -18.134 7.997 -3.158 1.00 0.00 O ATOM 1344 CB LYS A 82 -15.142 7.500 -4.514 1.00 0.00 C ATOM 1345 CG LYS A 82 -14.472 6.197 -4.092 1.00 0.00 C ATOM 1346 CD LYS A 82 -14.831 5.029 -4.979 1.00 0.00 C ATOM 1347 CE LYS A 82 -14.510 5.291 -6.432 1.00 0.00 C ATOM 1348 NZ LYS A 82 -13.078 5.623 -6.673 1.00 0.00 N ATOM 0 H LYS A 82 -13.972 8.238 -2.326 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.077 9.279 -3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.910 7.269 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.399 8.123 -5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.391 6.333 -4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.756 5.966 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.292 4.143 -4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -15.894 4.812 -4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.775 4.411 -7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.131 6.112 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.912 5.724 -7.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.843 6.516 -6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.477 4.861 -6.299 1.00 0.00 H new ATOM 1587 N THR B 110 0.514 12.102 7.861 1.00 0.00 N ATOM 1588 CA THR B 110 -0.336 11.139 8.517 1.00 0.00 C ATOM 1589 C THR B 110 -0.040 9.712 8.011 1.00 0.00 C ATOM 1590 O THR B 110 0.222 8.798 8.799 1.00 0.00 O ATOM 1591 CB THR B 110 -1.793 11.520 8.237 1.00 0.00 C ATOM 1592 OG1 THR B 110 -1.964 12.903 8.588 1.00 0.00 O ATOM 1593 CG2 THR B 110 -2.746 10.682 9.054 1.00 0.00 C ATOM 0 HA THR B 110 -0.147 11.149 9.590 1.00 0.00 H new ATOM 0 HB THR B 110 -2.011 11.348 7.183 1.00 0.00 H new ATOM 0 HG1 THR B 110 -1.113 13.377 8.476 1.00 0.00 H new ATOM 0 HG21 THR B 110 -3.772 10.977 8.832 1.00 0.00 H new ATOM 0 HG22 THR B 110 -2.609 9.629 8.806 1.00 0.00 H new ATOM 0 HG23 THR B 110 -2.546 10.834 10.115 1.00 0.00 H new ATOM 1601 N LEU B 111 -0.015 9.556 6.703 1.00 0.00 N ATOM 1602 CA LEU B 111 0.255 8.267 6.106 1.00 0.00 C ATOM 1603 C LEU B 111 1.722 7.888 6.248 1.00 0.00 C ATOM 1604 O LEU B 111 2.038 6.739 6.546 1.00 0.00 O ATOM 1605 CB LEU B 111 -0.218 8.192 4.639 1.00 0.00 C ATOM 1606 CG LEU B 111 -1.736 7.927 4.379 1.00 0.00 C ATOM 1607 CD1 LEU B 111 -2.144 6.569 4.914 1.00 0.00 C ATOM 1608 CD2 LEU B 111 -2.647 9.020 4.958 1.00 0.00 C ATOM 0 H LEU B 111 -0.179 10.308 6.034 1.00 0.00 H new ATOM 0 HA LEU B 111 -0.329 7.530 6.657 1.00 0.00 H new ATOM 0 HB2 LEU B 111 0.047 9.131 4.153 1.00 0.00 H new ATOM 0 HB3 LEU B 111 0.350 7.405 4.143 1.00 0.00 H new ATOM 0 HG LEU B 111 -1.868 7.945 3.297 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -3.204 6.406 4.722 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -1.562 5.793 4.418 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -1.960 6.530 5.988 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -3.688 8.777 4.744 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -2.503 9.080 6.037 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -2.398 9.979 4.505 1.00 0.00 H new ATOM 1620 N GLN B 112 2.616 8.857 6.076 1.00 0.00 N ATOM 1621 CA GLN B 112 4.057 8.584 6.213 1.00 0.00 C ATOM 1622 C GLN B 112 4.405 8.149 7.652 1.00 0.00 C ATOM 1623 O GLN B 112 5.160 7.198 7.864 1.00 0.00 O ATOM 1624 CB GLN B 112 4.908 9.797 5.826 1.00 0.00 C ATOM 1625 CG GLN B 112 4.681 10.325 4.418 1.00 0.00 C ATOM 1626 CD GLN B 112 5.054 9.333 3.336 1.00 0.00 C ATOM 1627 OE1 GLN B 112 4.464 9.320 2.276 1.00 0.00 O ATOM 1628 NE2 GLN B 112 6.066 8.531 3.571 1.00 0.00 N ATOM 0 H GLN B 112 2.383 9.823 5.846 1.00 0.00 H new ATOM 0 HA GLN B 112 4.288 7.770 5.526 1.00 0.00 H new ATOM 0 HB2 GLN B 112 4.709 10.601 6.535 1.00 0.00 H new ATOM 0 HB3 GLN B 112 5.960 9.531 5.932 1.00 0.00 H new ATOM 0 HG2 GLN B 112 3.632 10.597 4.305 1.00 0.00 H new ATOM 0 HG3 GLN B 112 5.263 11.236 4.281 1.00 0.00 H new ATOM 0 HE21 GLN B 112 6.544 8.563 4.472 1.00 0.00 H new ATOM 0 HE22 GLN B 112 6.375 7.875 2.853 1.00 0.00 H new ATOM 1637 N ASP B 113 3.835 8.836 8.626 1.00 0.00 N ATOM 1638 CA ASP B 113 4.061 8.537 10.046 1.00 0.00 C ATOM 1639 C ASP B 113 3.472 7.188 10.412 1.00 0.00 C ATOM 1640 O ASP B 113 4.060 6.438 11.207 1.00 0.00 O ATOM 1641 CB ASP B 113 3.485 9.642 10.938 1.00 0.00 C ATOM 1642 CG ASP B 113 3.568 9.332 12.417 1.00 0.00 C ATOM 1643 OD1 ASP B 113 4.655 9.471 13.019 1.00 0.00 O ATOM 1644 OD2 ASP B 113 2.529 8.984 13.013 1.00 0.00 O ATOM 0 H ASP B 113 3.201 9.619 8.464 1.00 0.00 H new ATOM 0 HA ASP B 113 5.137 8.496 10.214 1.00 0.00 H new ATOM 0 HB2 ASP B 113 4.018 10.572 10.740 1.00 0.00 H new ATOM 0 HB3 ASP B 113 2.442 9.808 10.668 1.00 0.00 H new ATOM 1649 N LEU B 114 2.325 6.870 9.814 1.00 0.00 N ATOM 1650 CA LEU B 114 1.679 5.566 9.988 1.00 0.00 C ATOM 1651 C LEU B 114 2.656 4.451 9.587 1.00 0.00 C ATOM 1652 O LEU B 114 2.953 3.549 10.381 1.00 0.00 O ATOM 1653 CB LEU B 114 0.408 5.492 9.125 1.00 0.00 C ATOM 1654 CG LEU B 114 -0.394 4.185 9.181 1.00 0.00 C ATOM 1655 CD1 LEU B 114 -0.956 3.945 10.573 1.00 0.00 C ATOM 1656 CD2 LEU B 114 -1.508 4.198 8.146 1.00 0.00 C ATOM 0 H LEU B 114 1.818 7.505 9.197 1.00 0.00 H new ATOM 0 HA LEU B 114 1.400 5.438 11.034 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -0.251 6.308 9.422 1.00 0.00 H new ATOM 0 HB3 LEU B 114 0.691 5.672 8.088 1.00 0.00 H new ATOM 0 HG LEU B 114 0.284 3.364 8.949 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -1.519 3.012 10.582 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -0.137 3.882 11.290 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -1.615 4.769 10.846 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -2.066 3.263 8.200 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -2.179 5.033 8.344 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -1.078 4.307 7.150 1.00 0.00 H new ATOM 1668 N LEU B 115 3.187 4.557 8.372 1.00 0.00 N ATOM 1669 CA LEU B 115 4.179 3.606 7.856 1.00 0.00 C ATOM 1670 C LEU B 115 5.423 3.578 8.744 1.00 0.00 C ATOM 1671 O LEU B 115 5.908 2.518 9.103 1.00 0.00 O ATOM 1672 CB LEU B 115 4.598 3.969 6.427 1.00 0.00 C ATOM 1673 CG LEU B 115 3.774 3.413 5.241 1.00 0.00 C ATOM 1674 CD1 LEU B 115 3.949 1.913 5.125 1.00 0.00 C ATOM 1675 CD2 LEU B 115 2.296 3.768 5.350 1.00 0.00 C ATOM 0 H LEU B 115 2.946 5.300 7.716 1.00 0.00 H new ATOM 0 HA LEU B 115 3.712 2.621 7.856 1.00 0.00 H new ATOM 0 HB2 LEU B 115 4.595 5.056 6.349 1.00 0.00 H new ATOM 0 HB3 LEU B 115 5.629 3.643 6.293 1.00 0.00 H new ATOM 0 HG LEU B 115 4.156 3.886 4.336 1.00 0.00 H new ATOM 0 HD11 LEU B 115 3.361 1.542 4.285 1.00 0.00 H new ATOM 0 HD12 LEU B 115 5.001 1.681 4.962 1.00 0.00 H new ATOM 0 HD13 LEU B 115 3.610 1.435 6.044 1.00 0.00 H new ATOM 0 HD21 LEU B 115 1.759 3.356 4.495 1.00 0.00 H new ATOM 0 HD22 LEU B 115 1.888 3.350 6.270 1.00 0.00 H new ATOM 0 HD23 LEU B 115 2.182 4.852 5.362 1.00 0.00 H new ATOM 1687 N THR B 116 5.914 4.748 9.117 1.00 0.00 N ATOM 1688 CA THR B 116 7.096 4.863 9.966 1.00 0.00 C ATOM 1689 C THR B 116 6.897 4.109 11.293 1.00 0.00 C ATOM 1690 O THR B 116 7.813 3.444 11.799 1.00 0.00 O ATOM 1691 CB THR B 116 7.431 6.353 10.238 1.00 0.00 C ATOM 1692 OG1 THR B 116 7.639 7.030 8.985 1.00 0.00 O ATOM 1693 CG2 THR B 116 8.689 6.492 11.083 1.00 0.00 C ATOM 0 H THR B 116 5.509 5.643 8.843 1.00 0.00 H new ATOM 0 HA THR B 116 7.934 4.409 9.437 1.00 0.00 H new ATOM 0 HB THR B 116 6.595 6.794 10.781 1.00 0.00 H new ATOM 0 HG1 THR B 116 7.569 6.386 8.250 1.00 0.00 H new ATOM 0 HG21 THR B 116 8.896 7.548 11.256 1.00 0.00 H new ATOM 0 HG22 THR B 116 8.542 5.990 12.039 1.00 0.00 H new ATOM 0 HG23 THR B 116 9.531 6.038 10.560 1.00 0.00 H new ATOM 1701 N SER B 117 5.696 4.147 11.789 1.00 0.00 N ATOM 1702 CA SER B 117 5.385 3.505 13.032 1.00 0.00 C ATOM 1703 C SER B 117 5.249 1.995 12.828 1.00 0.00 C ATOM 1704 O SER B 117 6.010 1.221 13.400 1.00 0.00 O ATOM 1705 CB SER B 117 4.132 4.122 13.637 1.00 0.00 C ATOM 1706 OG SER B 117 4.319 5.531 13.801 1.00 0.00 O ATOM 0 H SER B 117 4.908 4.621 11.347 1.00 0.00 H new ATOM 0 HA SER B 117 6.200 3.662 13.739 1.00 0.00 H new ATOM 0 HB2 SER B 117 3.274 3.932 12.992 1.00 0.00 H new ATOM 0 HB3 SER B 117 3.916 3.660 14.600 1.00 0.00 H new ATOM 0 HG SER B 117 4.187 5.981 12.940 1.00 0.00 H new ATOM 1712 N ASP B 118 4.341 1.601 11.964 1.00 0.00 N ATOM 1713 CA ASP B 118 4.092 0.189 11.665 1.00 0.00 C ATOM 1714 C ASP B 118 5.327 -0.525 11.127 1.00 0.00 C ATOM 1715 O ASP B 118 5.833 -1.463 11.736 1.00 0.00 O ATOM 1716 CB ASP B 118 2.979 0.048 10.626 1.00 0.00 C ATOM 1717 CG ASP B 118 1.575 0.099 11.171 1.00 0.00 C ATOM 1718 OD1 ASP B 118 1.129 1.155 11.625 1.00 0.00 O ATOM 1719 OD2 ASP B 118 0.864 -0.938 11.083 1.00 0.00 O ATOM 0 H ASP B 118 3.747 2.245 11.442 1.00 0.00 H new ATOM 0 HA ASP B 118 3.804 -0.271 12.610 1.00 0.00 H new ATOM 0 HB2 ASP B 118 3.093 0.841 9.887 1.00 0.00 H new ATOM 0 HB3 ASP B 118 3.113 -0.898 10.101 1.00 0.00 H new ATOM 1724 N SER B 119 5.823 -0.043 10.017 1.00 0.00 N ATOM 1725 CA SER B 119 6.869 -0.700 9.283 1.00 0.00 C ATOM 1726 C SER B 119 8.226 -0.571 9.955 1.00 0.00 C ATOM 1727 O SER B 119 8.916 -1.557 10.150 1.00 0.00 O ATOM 1728 CB SER B 119 6.906 -0.107 7.886 1.00 0.00 C ATOM 1729 OG SER B 119 5.581 -0.034 7.379 1.00 0.00 O ATOM 0 H SER B 119 5.506 0.829 9.593 1.00 0.00 H new ATOM 0 HA SER B 119 6.652 -1.768 9.245 1.00 0.00 H new ATOM 0 HB2 SER B 119 7.355 0.886 7.910 1.00 0.00 H new ATOM 0 HB3 SER B 119 7.526 -0.721 7.233 1.00 0.00 H new ATOM 0 HG SER B 119 5.301 0.904 7.330 1.00 0.00 H new ATOM 1958 N MET B 141 -14.420 1.331 -6.712 1.00 0.00 N ATOM 1959 CA MET B 141 -12.985 1.351 -6.604 1.00 0.00 C ATOM 1960 C MET B 141 -12.418 0.087 -7.234 1.00 0.00 C ATOM 1961 O MET B 141 -11.418 0.141 -7.910 1.00 0.00 O ATOM 1962 CB MET B 141 -12.571 1.429 -5.133 1.00 0.00 C ATOM 1963 CG MET B 141 -11.107 1.736 -4.901 1.00 0.00 C ATOM 1964 SD MET B 141 -10.689 3.420 -5.399 1.00 0.00 S ATOM 1965 CE MET B 141 -8.947 3.462 -4.949 1.00 0.00 C ATOM 0 HA MET B 141 -12.595 2.226 -7.125 1.00 0.00 H new ATOM 0 HB2 MET B 141 -13.171 2.195 -4.641 1.00 0.00 H new ATOM 0 HB3 MET B 141 -12.809 0.480 -4.652 1.00 0.00 H new ATOM 0 HG2 MET B 141 -10.870 1.599 -3.846 1.00 0.00 H new ATOM 0 HG3 MET B 141 -10.494 1.029 -5.460 1.00 0.00 H new ATOM 0 HE1 MET B 141 -8.477 4.339 -5.394 1.00 0.00 H new ATOM 0 HE2 MET B 141 -8.853 3.511 -3.864 1.00 0.00 H new ATOM 0 HE3 MET B 141 -8.455 2.561 -5.315 1.00 0.00 H new ATOM 1975 N GLU B 142 -13.117 -1.049 -7.063 1.00 0.00 N ATOM 1976 CA GLU B 142 -12.664 -2.307 -7.649 1.00 0.00 C ATOM 1977 C GLU B 142 -12.532 -2.243 -9.170 1.00 0.00 C ATOM 1978 O GLU B 142 -11.733 -2.958 -9.738 1.00 0.00 O ATOM 1979 CB GLU B 142 -13.468 -3.539 -7.218 1.00 0.00 C ATOM 1980 CG GLU B 142 -13.242 -3.962 -5.772 1.00 0.00 C ATOM 1981 CD GLU B 142 -13.829 -5.330 -5.479 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -15.051 -5.437 -5.214 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -13.085 -6.322 -5.524 1.00 0.00 O ATOM 0 H GLU B 142 -13.984 -1.115 -6.531 1.00 0.00 H new ATOM 0 HA GLU B 142 -11.666 -2.440 -7.232 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -14.529 -3.335 -7.363 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -13.212 -4.372 -7.872 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -12.173 -3.974 -5.561 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -13.690 -3.225 -5.105 1.00 0.00 H new ATOM 1990 N SER B 143 -13.305 -1.381 -9.817 1.00 0.00 N ATOM 1991 CA SER B 143 -13.233 -1.230 -11.260 1.00 0.00 C ATOM 1992 C SER B 143 -11.819 -0.754 -11.667 1.00 0.00 C ATOM 1993 O SER B 143 -11.127 -1.427 -12.460 1.00 0.00 O ATOM 1994 CB SER B 143 -14.319 -0.250 -11.752 1.00 0.00 C ATOM 1995 OG SER B 143 -14.373 -0.178 -13.172 1.00 0.00 O ATOM 0 H SER B 143 -13.989 -0.776 -9.363 1.00 0.00 H new ATOM 0 HA SER B 143 -13.418 -2.194 -11.733 1.00 0.00 H new ATOM 0 HB2 SER B 143 -15.290 -0.564 -11.368 1.00 0.00 H new ATOM 0 HB3 SER B 143 -14.121 0.742 -11.347 1.00 0.00 H new ATOM 0 HG SER B 143 -15.074 0.452 -13.441 1.00 0.00 H new ATOM 2001 N ILE B 144 -11.361 0.357 -11.072 1.00 0.00 N ATOM 2002 CA ILE B 144 -10.025 0.878 -11.377 1.00 0.00 C ATOM 2003 C ILE B 144 -8.972 -0.109 -10.888 1.00 0.00 C ATOM 2004 O ILE B 144 -7.908 -0.230 -11.464 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.742 2.294 -10.766 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -9.806 2.258 -9.233 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -10.735 3.312 -11.318 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -9.346 3.515 -8.539 1.00 0.00 C ATOM 0 H ILE B 144 -11.887 0.902 -10.389 1.00 0.00 H new ATOM 0 HA ILE B 144 -9.978 0.996 -12.460 1.00 0.00 H new ATOM 0 HB ILE B 144 -8.734 2.593 -11.052 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.834 2.053 -8.933 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -9.199 1.425 -8.880 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.529 4.292 -10.887 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -10.637 3.365 -12.402 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -11.749 3.008 -11.060 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -9.431 3.387 -7.460 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -8.307 3.715 -8.800 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -9.967 4.353 -8.855 1.00 0.00 H new ATOM 2020 N ILE B 145 -9.316 -0.839 -9.841 1.00 0.00 N ATOM 2021 CA ILE B 145 -8.459 -1.856 -9.296 1.00 0.00 C ATOM 2022 C ILE B 145 -8.244 -2.973 -10.298 1.00 0.00 C ATOM 2023 O ILE B 145 -7.127 -3.410 -10.480 1.00 0.00 O ATOM 2024 CB ILE B 145 -9.005 -2.390 -7.955 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -8.987 -1.286 -6.873 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -8.347 -3.690 -7.501 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -7.695 -0.474 -6.799 1.00 0.00 C ATOM 0 H ILE B 145 -10.203 -0.736 -9.349 1.00 0.00 H new ATOM 0 HA ILE B 145 -7.488 -1.405 -9.090 1.00 0.00 H new ATOM 0 HB ILE B 145 -10.047 -2.663 -8.123 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -9.817 -0.604 -7.058 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -9.164 -1.748 -5.902 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -8.781 -4.005 -6.552 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -8.514 -4.463 -8.251 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -7.276 -3.531 -7.376 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -7.780 0.274 -6.011 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -6.860 -1.139 -6.580 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -7.522 0.023 -7.754 1.00 0.00 H new ATOM 2039 N ARG B 146 -9.312 -3.401 -10.971 1.00 0.00 N ATOM 2040 CA ARG B 146 -9.202 -4.408 -12.022 1.00 0.00 C ATOM 2041 C ARG B 146 -8.270 -3.905 -13.107 1.00 0.00 C ATOM 2042 O ARG B 146 -7.397 -4.638 -13.581 1.00 0.00 O ATOM 2043 CB ARG B 146 -10.569 -4.765 -12.611 1.00 0.00 C ATOM 2044 CG ARG B 146 -11.509 -5.423 -11.617 1.00 0.00 C ATOM 2045 CD ARG B 146 -12.853 -5.751 -12.241 1.00 0.00 C ATOM 2046 NE ARG B 146 -13.512 -4.564 -12.804 1.00 0.00 N ATOM 2047 CZ ARG B 146 -14.804 -4.241 -12.651 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -15.593 -4.943 -11.848 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -15.296 -3.193 -13.294 1.00 0.00 N ATOM 0 H ARG B 146 -10.261 -3.066 -10.806 1.00 0.00 H new ATOM 0 HA ARG B 146 -8.794 -5.318 -11.583 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -11.037 -3.859 -12.995 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -10.426 -5.434 -13.460 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -11.053 -6.337 -11.236 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -11.657 -4.761 -10.764 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -12.715 -6.494 -13.027 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -13.501 -6.200 -11.488 1.00 0.00 H new ATOM 0 HE ARG B 146 -12.936 -3.931 -13.359 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -15.219 -5.742 -11.336 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -16.574 -4.684 -11.743 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -14.693 -2.638 -13.901 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -16.278 -2.941 -13.182 1.00 0.00 H new ATOM 2063 N SER B 147 -8.428 -2.634 -13.448 1.00 0.00 N ATOM 2064 CA SER B 147 -7.567 -1.984 -14.412 1.00 0.00 C ATOM 2065 C SER B 147 -6.094 -2.000 -13.956 1.00 0.00 C ATOM 2066 O SER B 147 -5.197 -2.266 -14.751 1.00 0.00 O ATOM 2067 CB SER B 147 -8.043 -0.553 -14.636 1.00 0.00 C ATOM 2068 OG SER B 147 -9.388 -0.548 -15.084 1.00 0.00 O ATOM 0 H SER B 147 -9.155 -2.031 -13.063 1.00 0.00 H new ATOM 0 HA SER B 147 -7.622 -2.535 -15.351 1.00 0.00 H new ATOM 0 HB2 SER B 147 -7.959 0.015 -13.710 1.00 0.00 H new ATOM 0 HB3 SER B 147 -7.406 -0.061 -15.371 1.00 0.00 H new ATOM 0 HG SER B 147 -9.984 -0.743 -14.331 1.00 0.00 H new ATOM 2074 N GLU B 148 -5.846 -1.752 -12.678 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.483 -1.720 -12.181 1.00 0.00 C ATOM 2076 C GLU B 148 -3.898 -3.123 -11.994 1.00 0.00 C ATOM 2077 O GLU B 148 -2.737 -3.345 -12.290 1.00 0.00 O ATOM 2078 CB GLU B 148 -4.344 -0.923 -10.879 1.00 0.00 C ATOM 2079 CG GLU B 148 -4.884 0.495 -10.935 1.00 0.00 C ATOM 2080 CD GLU B 148 -4.302 1.387 -9.858 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -4.184 0.967 -8.693 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -3.841 2.503 -10.209 1.00 0.00 O ATOM 0 H GLU B 148 -6.563 -1.572 -11.975 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.910 -1.207 -12.953 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -4.860 -1.461 -10.084 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -3.290 -0.884 -10.605 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -4.666 0.924 -11.913 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -5.969 0.470 -10.833 1.00 0.00 H new ATOM 2089 N LEU B 149 -4.698 -4.064 -11.530 1.00 0.00 N ATOM 2090 CA LEU B 149 -4.205 -5.412 -11.249 1.00 0.00 C ATOM 2091 C LEU B 149 -3.979 -6.234 -12.521 1.00 0.00 C ATOM 2092 O LEU B 149 -3.185 -7.178 -12.509 1.00 0.00 O ATOM 2093 CB LEU B 149 -5.126 -6.173 -10.236 1.00 0.00 C ATOM 2094 CG LEU B 149 -6.601 -6.404 -10.631 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -6.785 -7.547 -11.629 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -7.447 -6.627 -9.412 1.00 0.00 C ATOM 0 H LEU B 149 -5.690 -3.927 -11.338 1.00 0.00 H new ATOM 0 HA LEU B 149 -3.230 -5.285 -10.778 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.676 -7.146 -10.041 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -5.114 -5.623 -9.295 1.00 0.00 H new ATOM 0 HG LEU B 149 -6.930 -5.496 -11.136 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -7.843 -7.657 -11.865 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -6.231 -7.326 -12.541 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -6.412 -8.474 -11.193 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -8.482 -6.788 -9.712 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -7.085 -7.503 -8.873 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -7.389 -5.753 -8.764 1.00 0.00 H new ATOM 2108 N MET B 150 -4.696 -5.881 -13.598 1.00 0.00 N ATOM 2109 CA MET B 150 -4.641 -6.616 -14.878 1.00 0.00 C ATOM 2110 C MET B 150 -3.210 -6.777 -15.415 1.00 0.00 C ATOM 2111 O MET B 150 -2.734 -7.905 -15.616 1.00 0.00 O ATOM 2112 CB MET B 150 -5.531 -5.941 -15.933 1.00 0.00 C ATOM 2113 CG MET B 150 -5.582 -6.680 -17.272 1.00 0.00 C ATOM 2114 SD MET B 150 -6.617 -5.853 -18.504 1.00 0.00 S ATOM 2115 CE MET B 150 -5.740 -4.300 -18.700 1.00 0.00 C ATOM 0 H MET B 150 -5.329 -5.081 -13.610 1.00 0.00 H new ATOM 0 HA MET B 150 -5.020 -7.618 -14.674 1.00 0.00 H new ATOM 0 HB2 MET B 150 -6.543 -5.856 -15.538 1.00 0.00 H new ATOM 0 HB3 MET B 150 -5.169 -4.927 -16.103 1.00 0.00 H new ATOM 0 HG2 MET B 150 -4.570 -6.778 -17.664 1.00 0.00 H new ATOM 0 HG3 MET B 150 -5.960 -7.689 -17.108 1.00 0.00 H new ATOM 0 HE1 MET B 150 -6.023 -3.839 -19.646 1.00 0.00 H new ATOM 0 HE2 MET B 150 -5.997 -3.631 -17.879 1.00 0.00 H new ATOM 0 HE3 MET B 150 -4.666 -4.485 -18.694 1.00 0.00 H new