USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 990 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 108 GLN : amide:sc= -0.352 K(o=-3.5,f=-1.3) USER MOD Set 1.2: A 111 ASN : amide:sc= -3.12! K(o=-3.5!,f=-1.3) USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0.091 USER MOD Set 2.2: A 40 ASN : amide:sc= -2.67! K(o=-2.6!,f=-3.7) USER MOD Set 2.3: A 113 MET CE :methyl -142:sc=-0.000577 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0605 USER MOD Single : A 20 GLN : amide:sc= -2.86! K(o=-2.9!,f=-1.3) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 56:sc= 1.31 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= -0.0695 (180deg=-0.344) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 72:sc= -1.48! USER MOD Single : A 51 GLN : amide:sc= 0.504 K(o=0.5,f=-0.7) USER MOD Single : A 52 GLN : amide:sc= 0.128 K(o=0.13,f=-0.89) USER MOD Single : A 56 SER OG : rot -26:sc= 0.061 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.15) USER MOD Single : A 63 GLN : amide:sc= 1.13 K(o=1.1,f=-7.7!) USER MOD Single : A 67 ASN : amide:sc= 0.473 X(o=0.47,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.12 K(o=-1.1,f=-3.8!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.219 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot -124:sc= 0.185 USER MOD Single : A 82 ASN : amide:sc= 0.00553 K(o=0.0055,f=-2.6) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl -128:sc= -1.44 (180deg=-3.53!) USER MOD Single : A 105 GLN : amide:sc= -5.74! K(o=-5.7!,f=-1.8) USER MOD Single : A 106 GLN : amide:sc= -1.25! C(o=-1.2!,f=-3!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -99:sc= 0.671 USER MOD Single : A 118 TYR OH : rot 13:sc= 0.976 USER MOD Single : A 123 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0386) USER MOD Single : A 124 SER OG : rot 61:sc= 0.687 USER MOD Single : A 127 TYR OH : rot -136:sc= -0.31 USER MOD Single : A 130 CYS SG : rot 68:sc= 0.598 USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 8 -14.118 -2.368 -5.950 1.00 0.00 N ATOM 107 CA VAL A 8 -12.926 -1.802 -5.321 1.00 0.00 C ATOM 108 C VAL A 8 -13.078 -1.645 -3.804 1.00 0.00 C ATOM 109 O VAL A 8 -12.108 -1.352 -3.110 1.00 0.00 O ATOM 110 CB VAL A 8 -12.565 -0.435 -5.947 1.00 0.00 C ATOM 111 CG1 VAL A 8 -12.255 -0.588 -7.436 1.00 0.00 C ATOM 112 CG2 VAL A 8 -13.685 0.579 -5.725 1.00 0.00 C ATOM 0 HA VAL A 8 -12.119 -2.512 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.670 -0.060 -5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.003 0.385 -7.857 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.412 -1.268 -7.564 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.128 -0.991 -7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.407 1.532 -6.174 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.603 0.214 -6.186 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.846 0.715 -4.656 1.00 0.00 H new ATOM 122 N ALA A 9 -14.297 -1.838 -3.302 1.00 0.00 N ATOM 123 CA ALA A 9 -14.613 -1.643 -1.877 1.00 0.00 C ATOM 124 C ALA A 9 -13.652 -2.391 -0.937 1.00 0.00 C ATOM 125 O ALA A 9 -13.636 -2.141 0.271 1.00 0.00 O ATOM 126 CB ALA A 9 -16.049 -2.072 -1.600 1.00 0.00 C ATOM 0 H ALA A 9 -15.095 -2.133 -3.865 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.491 -0.580 -1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.275 -1.925 -0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.731 -1.473 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.169 -3.125 -1.854 1.00 0.00 H new ATOM 132 N SER A 10 -12.860 -3.308 -1.485 1.00 0.00 N ATOM 133 CA SER A 10 -11.872 -4.045 -0.705 1.00 0.00 C ATOM 134 C SER A 10 -10.754 -3.124 -0.188 1.00 0.00 C ATOM 135 O SER A 10 -9.977 -3.513 0.687 1.00 0.00 O ATOM 136 CB SER A 10 -11.280 -5.175 -1.553 1.00 0.00 C ATOM 137 OG SER A 10 -12.295 -6.067 -1.990 1.00 0.00 O ATOM 0 H SER A 10 -12.884 -3.559 -2.473 1.00 0.00 H new ATOM 0 HA SER A 10 -12.376 -4.468 0.164 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.764 -4.755 -2.416 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.537 -5.720 -0.971 1.00 0.00 H new ATOM 0 HG SER A 10 -11.894 -6.779 -2.531 1.00 0.00 H new ATOM 143 N TRP A 11 -10.677 -1.904 -0.725 1.00 0.00 N ATOM 144 CA TRP A 11 -9.655 -0.939 -0.311 1.00 0.00 C ATOM 145 C TRP A 11 -9.817 -0.578 1.165 1.00 0.00 C ATOM 146 O TRP A 11 -8.839 -0.528 1.913 1.00 0.00 O ATOM 147 CB TRP A 11 -9.725 0.341 -1.157 1.00 0.00 C ATOM 148 CG TRP A 11 -9.447 0.138 -2.620 1.00 0.00 C ATOM 149 CD1 TRP A 11 -8.882 -0.955 -3.218 1.00 0.00 C ATOM 150 CD2 TRP A 11 -9.712 1.076 -3.671 1.00 0.00 C ATOM 151 NE1 TRP A 11 -8.797 -0.757 -4.575 1.00 0.00 N ATOM 152 CE2 TRP A 11 -9.294 0.483 -4.875 1.00 0.00 C ATOM 153 CE3 TRP A 11 -10.266 2.358 -3.707 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -9.416 1.129 -6.104 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -10.386 2.999 -4.926 1.00 0.00 C ATOM 156 CH2 TRP A 11 -9.963 2.384 -6.111 1.00 0.00 C ATOM 0 H TRP A 11 -11.310 -1.561 -1.447 1.00 0.00 H new ATOM 0 HA TRP A 11 -8.683 -1.409 -0.463 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.716 0.781 -1.046 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -9.010 1.062 -0.761 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.551 -1.843 -2.700 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.424 -1.425 -5.249 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.595 2.840 -2.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -9.090 0.656 -7.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -10.813 3.990 -4.965 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -10.070 2.910 -7.048 1.00 0.00 H new ATOM 167 N ALA A 12 -11.064 -0.347 1.580 1.00 0.00 N ATOM 168 CA ALA A 12 -11.363 0.070 2.952 1.00 0.00 C ATOM 169 C ALA A 12 -11.070 -1.038 3.964 1.00 0.00 C ATOM 170 O ALA A 12 -11.170 -0.824 5.173 1.00 0.00 O ATOM 171 CB ALA A 12 -12.817 0.517 3.064 1.00 0.00 C ATOM 0 H ALA A 12 -11.886 -0.442 0.983 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.709 0.910 3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.025 0.824 4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.993 1.356 2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.474 -0.309 2.792 1.00 0.00 H new ATOM 177 N LEU A 13 -10.716 -2.221 3.471 1.00 0.00 N ATOM 178 CA LEU A 13 -10.394 -3.344 4.344 1.00 0.00 C ATOM 179 C LEU A 13 -8.969 -3.218 4.880 1.00 0.00 C ATOM 180 O LEU A 13 -8.712 -3.499 6.052 1.00 0.00 O ATOM 181 CB LEU A 13 -10.569 -4.674 3.599 1.00 0.00 C ATOM 182 CG LEU A 13 -11.985 -4.938 3.054 1.00 0.00 C ATOM 183 CD1 LEU A 13 -12.048 -6.287 2.341 1.00 0.00 C ATOM 184 CD2 LEU A 13 -13.022 -4.867 4.175 1.00 0.00 C ATOM 0 H LEU A 13 -10.645 -2.426 2.474 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.083 -3.328 5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.866 -4.701 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.298 -5.488 4.272 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.219 -4.159 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.057 -6.453 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.345 -6.292 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.787 -7.081 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.014 -5.057 3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.792 -5.617 4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.000 -3.876 4.629 1.00 0.00 H new ATOM 196 N SER A 14 -8.042 -2.801 4.017 1.00 0.00 N ATOM 197 CA SER A 14 -6.639 -2.646 4.400 1.00 0.00 C ATOM 198 C SER A 14 -5.924 -1.663 3.474 1.00 0.00 C ATOM 199 O SER A 14 -6.148 -1.662 2.257 1.00 0.00 O ATOM 200 CB SER A 14 -5.911 -3.999 4.367 1.00 0.00 C ATOM 201 OG SER A 14 -6.482 -4.924 5.278 1.00 0.00 O ATOM 0 H SER A 14 -8.239 -2.564 3.045 1.00 0.00 H new ATOM 0 HA SER A 14 -6.619 -2.254 5.417 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.952 -4.410 3.358 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.858 -3.852 4.609 1.00 0.00 H new ATOM 0 HG SER A 14 -5.996 -5.773 5.230 1.00 0.00 H new ATOM 207 N PHE A 15 -5.051 -0.841 4.056 1.00 0.00 N ATOM 208 CA PHE A 15 -4.244 0.100 3.288 1.00 0.00 C ATOM 209 C PHE A 15 -3.363 -0.661 2.304 1.00 0.00 C ATOM 210 O PHE A 15 -3.158 -0.221 1.179 1.00 0.00 O ATOM 211 CB PHE A 15 -3.386 0.965 4.226 1.00 0.00 C ATOM 212 CG PHE A 15 -2.525 1.990 3.516 1.00 0.00 C ATOM 213 CD1 PHE A 15 -3.035 2.744 2.467 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.212 2.207 3.911 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.254 3.687 1.827 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.428 3.149 3.272 1.00 0.00 C ATOM 217 CZ PHE A 15 -0.950 3.890 2.229 1.00 0.00 C ATOM 0 H PHE A 15 -4.886 -0.810 5.062 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.906 0.762 2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.042 1.482 4.926 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.742 0.312 4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.055 2.591 2.147 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.798 1.633 4.727 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.664 4.265 1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.593 3.306 3.588 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.338 4.627 1.729 1.00 0.00 H new ATOM 227 N GLU A 16 -2.859 -1.810 2.751 1.00 0.00 N ATOM 228 CA GLU A 16 -2.082 -2.710 1.905 1.00 0.00 C ATOM 229 C GLU A 16 -2.791 -2.950 0.572 1.00 0.00 C ATOM 230 O GLU A 16 -2.184 -2.820 -0.488 1.00 0.00 O ATOM 231 CB GLU A 16 -1.845 -4.041 2.632 1.00 0.00 C ATOM 232 CG GLU A 16 -1.059 -5.062 1.814 1.00 0.00 C ATOM 233 CD GLU A 16 -0.799 -6.349 2.580 1.00 0.00 C ATOM 234 OE1 GLU A 16 -1.749 -7.141 2.765 1.00 0.00 O ATOM 235 OE2 GLU A 16 0.351 -6.571 3.013 1.00 0.00 O ATOM 0 H GLU A 16 -2.978 -2.142 3.708 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.119 -2.244 1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.310 -3.846 3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.809 -4.472 2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.609 -5.292 0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.107 -4.625 1.512 1.00 0.00 H new ATOM 242 N ARG A 17 -4.083 -3.275 0.633 1.00 0.00 N ATOM 243 CA ARG A 17 -4.879 -3.483 -0.575 1.00 0.00 C ATOM 244 C ARG A 17 -4.854 -2.235 -1.454 1.00 0.00 C ATOM 245 O ARG A 17 -4.531 -2.310 -2.637 1.00 0.00 O ATOM 246 CB ARG A 17 -6.331 -3.856 -0.229 1.00 0.00 C ATOM 247 CG ARG A 17 -7.257 -3.902 -1.448 1.00 0.00 C ATOM 248 CD ARG A 17 -6.809 -4.941 -2.476 1.00 0.00 C ATOM 249 NE ARG A 17 -7.447 -4.728 -3.780 1.00 0.00 N ATOM 250 CZ ARG A 17 -7.936 -5.699 -4.555 1.00 0.00 C ATOM 251 NH1 ARG A 17 -7.912 -6.964 -4.154 1.00 0.00 N ATOM 252 NH2 ARG A 17 -8.448 -5.397 -5.740 1.00 0.00 N ATOM 0 H ARG A 17 -4.599 -3.399 1.504 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.436 -4.313 -1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.341 -4.829 0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.722 -3.134 0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.272 -4.130 -1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.286 -2.919 -1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.726 -4.896 -2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.050 -5.940 -2.112 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.522 -3.769 -4.119 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.517 -7.203 -3.245 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.289 -7.697 -4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.467 -4.427 -6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.823 -6.135 -6.336 1.00 0.00 H new ATOM 266 N LEU A 18 -5.186 -1.087 -0.863 1.00 0.00 N ATOM 267 CA LEU A 18 -5.184 0.186 -1.592 1.00 0.00 C ATOM 268 C LEU A 18 -3.800 0.471 -2.179 1.00 0.00 C ATOM 269 O LEU A 18 -3.668 1.056 -3.254 1.00 0.00 O ATOM 270 CB LEU A 18 -5.586 1.336 -0.655 1.00 0.00 C ATOM 271 CG LEU A 18 -5.598 2.736 -1.299 1.00 0.00 C ATOM 272 CD1 LEU A 18 -6.752 2.870 -2.287 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.655 3.831 -0.235 1.00 0.00 C ATOM 0 H LEU A 18 -5.460 -1.010 0.117 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.906 0.111 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.579 1.128 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.900 1.349 0.192 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.667 2.859 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.739 3.867 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.646 2.123 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.697 2.716 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.662 4.808 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.561 3.714 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.782 3.754 0.414 1.00 0.00 H new ATOM 285 N LEU A 19 -2.780 0.023 -1.463 1.00 0.00 N ATOM 286 CA LEU A 19 -1.393 0.340 -1.780 1.00 0.00 C ATOM 287 C LEU A 19 -0.781 -0.727 -2.692 1.00 0.00 C ATOM 288 O LEU A 19 0.352 -0.593 -3.156 1.00 0.00 O ATOM 289 CB LEU A 19 -0.607 0.461 -0.466 1.00 0.00 C ATOM 290 CG LEU A 19 0.707 1.245 -0.547 1.00 0.00 C ATOM 291 CD1 LEU A 19 0.463 2.650 -1.094 1.00 0.00 C ATOM 292 CD2 LEU A 19 1.375 1.316 0.819 1.00 0.00 C ATOM 0 H LEU A 19 -2.890 -0.573 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.348 1.286 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.247 0.937 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.388 -0.543 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 19 1.375 0.720 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.408 3.190 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.031 2.582 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.225 3.182 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.306 1.877 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.710 1.815 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.588 0.307 1.173 1.00 0.00 H new ATOM 304 N GLN A 20 -1.533 -1.797 -2.923 1.00 0.00 N ATOM 305 CA GLN A 20 -1.125 -2.858 -3.848 1.00 0.00 C ATOM 306 C GLN A 20 -2.036 -2.890 -5.075 1.00 0.00 C ATOM 307 O GLN A 20 -1.736 -3.559 -6.067 1.00 0.00 O ATOM 308 CB GLN A 20 -1.146 -4.223 -3.139 1.00 0.00 C ATOM 309 CG GLN A 20 -0.019 -4.404 -2.132 1.00 0.00 C ATOM 310 CD GLN A 20 1.348 -4.432 -2.793 1.00 0.00 C ATOM 311 OE1 GLN A 20 1.867 -5.499 -3.136 1.00 0.00 O ATOM 312 NE2 GLN A 20 1.926 -3.264 -3.007 1.00 0.00 N ATOM 0 H GLN A 20 -2.438 -1.957 -2.480 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.108 -2.647 -4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.101 -4.343 -2.628 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.084 -5.013 -3.888 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.051 -3.593 -1.405 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.173 -5.332 -1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.465 -2.405 -2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.833 -3.221 -3.471 1.00 0.00 H new ATOM 321 N ASP A 21 -3.146 -2.165 -4.998 1.00 0.00 N ATOM 322 CA ASP A 21 -4.121 -2.127 -6.084 1.00 0.00 C ATOM 323 C ASP A 21 -3.692 -1.106 -7.138 1.00 0.00 C ATOM 324 O ASP A 21 -3.381 0.038 -6.800 1.00 0.00 O ATOM 325 CB ASP A 21 -5.512 -1.764 -5.536 1.00 0.00 C ATOM 326 CG ASP A 21 -6.628 -2.022 -6.537 1.00 0.00 C ATOM 327 OD1 ASP A 21 -6.741 -1.271 -7.523 1.00 0.00 O ATOM 328 OD2 ASP A 21 -7.413 -2.976 -6.325 1.00 0.00 O ATOM 0 H ASP A 21 -3.395 -1.593 -4.191 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.171 -3.113 -6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.702 -2.341 -4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.522 -0.712 -5.252 1.00 0.00 H new ATOM 333 N PRO A 22 -3.658 -1.503 -8.427 1.00 0.00 N ATOM 334 CA PRO A 22 -3.257 -0.603 -9.519 1.00 0.00 C ATOM 335 C PRO A 22 -4.168 0.623 -9.619 1.00 0.00 C ATOM 336 O PRO A 22 -3.699 1.745 -9.828 1.00 0.00 O ATOM 337 CB PRO A 22 -3.372 -1.482 -10.780 1.00 0.00 C ATOM 338 CG PRO A 22 -4.261 -2.616 -10.385 1.00 0.00 C ATOM 339 CD PRO A 22 -4.000 -2.850 -8.923 1.00 0.00 C ATOM 0 HA PRO A 22 -2.256 -0.198 -9.369 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.795 -0.922 -11.614 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.394 -1.841 -11.101 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.309 -2.371 -10.561 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.039 -3.509 -10.970 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.876 -3.256 -8.417 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.185 -3.557 -8.767 1.00 0.00 H new ATOM 347 N LEU A 23 -5.469 0.402 -9.447 1.00 0.00 N ATOM 348 CA LEU A 23 -6.451 1.480 -9.523 1.00 0.00 C ATOM 349 C LEU A 23 -6.405 2.300 -8.243 1.00 0.00 C ATOM 350 O LEU A 23 -6.460 3.532 -8.274 1.00 0.00 O ATOM 351 CB LEU A 23 -7.859 0.908 -9.735 1.00 0.00 C ATOM 352 CG LEU A 23 -8.030 0.035 -10.988 1.00 0.00 C ATOM 353 CD1 LEU A 23 -9.446 -0.527 -11.065 1.00 0.00 C ATOM 354 CD2 LEU A 23 -7.691 0.830 -12.249 1.00 0.00 C ATOM 0 H LEU A 23 -5.868 -0.516 -9.254 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.210 2.122 -10.371 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.129 0.316 -8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.566 1.736 -9.790 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.337 -0.803 -10.918 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.545 -1.142 -11.959 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.645 -1.135 -10.183 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.162 0.294 -11.108 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.818 0.194 -13.125 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.355 1.691 -12.326 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.658 1.173 -12.196 1.00 0.00 H new ATOM 366 N GLY A 24 -6.290 1.594 -7.120 1.00 0.00 N ATOM 367 CA GLY A 24 -6.181 2.240 -5.829 1.00 0.00 C ATOM 368 C GLY A 24 -5.037 3.224 -5.792 1.00 0.00 C ATOM 369 O GLY A 24 -5.243 4.416 -5.570 1.00 0.00 O ATOM 0 H GLY A 24 -6.271 0.575 -7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.113 2.757 -5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.037 1.486 -5.056 1.00 0.00 H new ATOM 373 N LEU A 25 -3.830 2.724 -6.040 1.00 0.00 N ATOM 374 CA LEU A 25 -2.637 3.562 -6.079 1.00 0.00 C ATOM 375 C LEU A 25 -2.794 4.717 -7.063 1.00 0.00 C ATOM 376 O LEU A 25 -2.380 5.831 -6.769 1.00 0.00 O ATOM 377 CB LEU A 25 -1.391 2.727 -6.432 1.00 0.00 C ATOM 378 CG LEU A 25 -0.511 2.330 -5.235 1.00 0.00 C ATOM 379 CD1 LEU A 25 0.653 1.450 -5.681 1.00 0.00 C ATOM 380 CD2 LEU A 25 0.003 3.579 -4.516 1.00 0.00 C ATOM 0 H LEU A 25 -3.652 1.735 -6.218 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.505 3.984 -5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.714 1.820 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.783 3.291 -7.139 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.121 1.754 -4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.260 1.183 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.266 0.543 -6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.266 1.994 -6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.624 3.283 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.594 4.180 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.842 4.166 -4.157 1.00 0.00 H new ATOM 392 N ALA A 26 -3.395 4.454 -8.221 1.00 0.00 N ATOM 393 CA ALA A 26 -3.553 5.481 -9.252 1.00 0.00 C ATOM 394 C ALA A 26 -4.337 6.685 -8.722 1.00 0.00 C ATOM 395 O ALA A 26 -3.807 7.797 -8.637 1.00 0.00 O ATOM 396 CB ALA A 26 -4.235 4.899 -10.484 1.00 0.00 C ATOM 0 H ALA A 26 -3.780 3.543 -8.470 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.559 5.828 -9.534 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.345 5.676 -11.240 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.630 4.085 -10.884 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.219 4.519 -10.210 1.00 0.00 H new ATOM 402 N TYR A 27 -5.590 6.450 -8.340 1.00 0.00 N ATOM 403 CA TYR A 27 -6.466 7.518 -7.854 1.00 0.00 C ATOM 404 C TYR A 27 -5.956 8.077 -6.524 1.00 0.00 C ATOM 405 O TYR A 27 -6.117 9.266 -6.233 1.00 0.00 O ATOM 406 CB TYR A 27 -7.908 6.999 -7.716 1.00 0.00 C ATOM 407 CG TYR A 27 -8.576 6.699 -9.051 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.135 5.655 -9.861 1.00 0.00 C ATOM 409 CD2 TYR A 27 -9.642 7.470 -9.507 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.734 5.390 -11.079 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.244 7.211 -10.724 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.788 6.170 -11.506 1.00 0.00 C ATOM 413 OH TYR A 27 -10.382 5.922 -12.727 1.00 0.00 O ATOM 0 H TYR A 27 -6.024 5.527 -8.357 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.460 8.331 -8.580 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.903 6.093 -7.110 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.502 7.739 -7.180 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.310 5.041 -9.532 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.005 8.285 -8.899 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.378 4.576 -11.693 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.068 7.821 -11.062 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.109 6.563 -12.873 1.00 0.00 H new ATOM 423 N PHE A 28 -5.328 7.217 -5.725 1.00 0.00 N ATOM 424 CA PHE A 28 -4.715 7.637 -4.465 1.00 0.00 C ATOM 425 C PHE A 28 -3.538 8.571 -4.743 1.00 0.00 C ATOM 426 O PHE A 28 -3.297 9.525 -4.003 1.00 0.00 O ATOM 427 CB PHE A 28 -4.258 6.408 -3.661 1.00 0.00 C ATOM 428 CG PHE A 28 -3.584 6.730 -2.349 1.00 0.00 C ATOM 429 CD1 PHE A 28 -4.305 7.275 -1.295 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.229 6.482 -2.169 1.00 0.00 C ATOM 431 CE1 PHE A 28 -3.688 7.564 -0.092 1.00 0.00 C ATOM 432 CE2 PHE A 28 -1.609 6.768 -0.970 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.339 7.311 0.070 1.00 0.00 C ATOM 0 H PHE A 28 -5.230 6.222 -5.928 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.453 8.178 -3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.124 5.777 -3.464 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.571 5.824 -4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.359 7.475 -1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.653 6.059 -2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.260 7.987 0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.555 6.568 -0.845 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.856 7.538 1.009 1.00 0.00 H new ATOM 443 N THR A 29 -2.822 8.298 -5.832 1.00 0.00 N ATOM 444 CA THR A 29 -1.700 9.127 -6.252 1.00 0.00 C ATOM 445 C THR A 29 -2.204 10.468 -6.785 1.00 0.00 C ATOM 446 O THR A 29 -1.539 11.488 -6.626 1.00 0.00 O ATOM 447 CB THR A 29 -0.833 8.412 -7.322 1.00 0.00 C ATOM 448 OG1 THR A 29 -0.212 7.250 -6.749 1.00 0.00 O ATOM 449 CG2 THR A 29 0.243 9.335 -7.891 1.00 0.00 C ATOM 0 H THR A 29 -3.003 7.501 -6.443 1.00 0.00 H new ATOM 0 HA THR A 29 -1.071 9.304 -5.380 1.00 0.00 H new ATOM 0 HB THR A 29 -1.493 8.120 -8.139 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.901 6.662 -6.376 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.828 8.796 -8.636 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.229 10.200 -8.356 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.899 9.668 -7.087 1.00 0.00 H new ATOM 457 N GLU A 30 -3.389 10.463 -7.399 1.00 0.00 N ATOM 458 CA GLU A 30 -4.011 11.700 -7.871 1.00 0.00 C ATOM 459 C GLU A 30 -4.202 12.674 -6.708 1.00 0.00 C ATOM 460 O GLU A 30 -3.767 13.827 -6.768 1.00 0.00 O ATOM 461 CB GLU A 30 -5.360 11.414 -8.552 1.00 0.00 C ATOM 462 CG GLU A 30 -5.250 10.623 -9.853 1.00 0.00 C ATOM 463 CD GLU A 30 -6.541 10.651 -10.658 1.00 0.00 C ATOM 464 OE1 GLU A 30 -7.493 9.930 -10.297 1.00 0.00 O ATOM 465 OE2 GLU A 30 -6.621 11.420 -11.640 1.00 0.00 O ATOM 0 H GLU A 30 -3.934 9.620 -7.580 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.348 12.154 -8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.995 10.863 -7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.859 12.361 -8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.439 11.032 -10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.989 9.589 -9.626 1.00 0.00 H new ATOM 472 N PHE A 31 -4.851 12.200 -5.647 1.00 0.00 N ATOM 473 CA PHE A 31 -5.038 12.998 -4.433 1.00 0.00 C ATOM 474 C PHE A 31 -3.691 13.354 -3.806 1.00 0.00 C ATOM 475 O PHE A 31 -3.433 14.511 -3.467 1.00 0.00 O ATOM 476 CB PHE A 31 -5.902 12.232 -3.416 1.00 0.00 C ATOM 477 CG PHE A 31 -7.370 12.187 -3.765 1.00 0.00 C ATOM 478 CD1 PHE A 31 -7.785 11.860 -5.046 1.00 0.00 C ATOM 479 CD2 PHE A 31 -8.334 12.488 -2.811 1.00 0.00 C ATOM 480 CE1 PHE A 31 -9.126 11.831 -5.368 1.00 0.00 C ATOM 481 CE2 PHE A 31 -9.679 12.461 -3.130 1.00 0.00 C ATOM 482 CZ PHE A 31 -10.075 12.132 -4.410 1.00 0.00 C ATOM 0 H PHE A 31 -5.258 11.266 -5.601 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.548 13.921 -4.709 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.528 11.212 -3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.787 12.695 -2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.050 11.625 -5.801 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.029 12.746 -1.808 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.435 11.573 -6.370 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.418 12.697 -2.379 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.125 12.110 -4.663 1.00 0.00 H new ATOM 492 N LEU A 32 -2.831 12.351 -3.677 1.00 0.00 N ATOM 493 CA LEU A 32 -1.531 12.520 -3.034 1.00 0.00 C ATOM 494 C LEU A 32 -0.642 13.482 -3.832 1.00 0.00 C ATOM 495 O LEU A 32 0.259 14.117 -3.278 1.00 0.00 O ATOM 496 CB LEU A 32 -0.854 11.154 -2.876 1.00 0.00 C ATOM 497 CG LEU A 32 0.427 11.140 -2.030 1.00 0.00 C ATOM 498 CD1 LEU A 32 0.158 11.651 -0.616 1.00 0.00 C ATOM 499 CD2 LEU A 32 1.022 9.736 -1.993 1.00 0.00 C ATOM 0 H LEU A 32 -3.011 11.405 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.682 12.957 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.570 10.464 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.617 10.770 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 32 1.149 11.811 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.083 11.630 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.217 12.673 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.584 11.015 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.930 9.741 -1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.300 9.046 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.262 9.416 -3.007 1.00 0.00 H new ATOM 511 N LYS A 33 -0.910 13.588 -5.132 1.00 0.00 N ATOM 512 CA LYS A 33 -0.205 14.533 -5.995 1.00 0.00 C ATOM 513 C LYS A 33 -0.547 15.957 -5.572 1.00 0.00 C ATOM 514 O LYS A 33 0.324 16.824 -5.504 1.00 0.00 O ATOM 515 CB LYS A 33 -0.575 14.288 -7.475 1.00 0.00 C ATOM 516 CG LYS A 33 0.136 15.196 -8.490 1.00 0.00 C ATOM 517 CD LYS A 33 -0.549 16.557 -8.648 1.00 0.00 C ATOM 518 CE LYS A 33 0.180 17.453 -9.645 1.00 0.00 C ATOM 519 NZ LYS A 33 -0.492 18.770 -9.799 1.00 0.00 N ATOM 0 H LYS A 33 -1.614 13.028 -5.613 1.00 0.00 H new ATOM 0 HA LYS A 33 0.870 14.387 -5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.350 13.250 -7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.651 14.417 -7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.168 15.348 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.169 14.696 -9.458 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.577 16.409 -8.978 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.594 17.055 -7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.207 17.606 -9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.229 16.955 -10.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.033 19.350 -10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.464 18.626 -10.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.516 19.257 -8.880 1.00 0.00 H new ATOM 533 N LYS A 34 -1.823 16.184 -5.273 1.00 0.00 N ATOM 534 CA LYS A 34 -2.289 17.494 -4.823 1.00 0.00 C ATOM 535 C LYS A 34 -1.685 17.815 -3.455 1.00 0.00 C ATOM 536 O LYS A 34 -1.502 18.980 -3.099 1.00 0.00 O ATOM 537 CB LYS A 34 -3.831 17.515 -4.783 1.00 0.00 C ATOM 538 CG LYS A 34 -4.451 18.888 -4.494 1.00 0.00 C ATOM 539 CD LYS A 34 -4.729 19.111 -3.006 1.00 0.00 C ATOM 540 CE LYS A 34 -5.781 18.140 -2.477 1.00 0.00 C ATOM 541 NZ LYS A 34 -7.060 18.238 -3.233 1.00 0.00 N ATOM 0 H LYS A 34 -2.555 15.476 -5.334 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.962 18.263 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.210 17.156 -5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.170 16.812 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.780 19.668 -4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.382 18.986 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.805 18.990 -2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.067 20.135 -2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.399 17.121 -2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.966 18.345 -1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.816 17.763 -2.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.308 19.239 -3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.951 17.780 -4.160 1.00 0.00 H new ATOM 555 N GLU A 35 -1.359 16.764 -2.705 1.00 0.00 N ATOM 556 CA GLU A 35 -0.688 16.902 -1.412 1.00 0.00 C ATOM 557 C GLU A 35 0.820 17.097 -1.600 1.00 0.00 C ATOM 558 O GLU A 35 1.532 17.436 -0.650 1.00 0.00 O ATOM 559 CB GLU A 35 -0.942 15.655 -0.557 1.00 0.00 C ATOM 560 CG GLU A 35 -2.413 15.400 -0.248 1.00 0.00 C ATOM 561 CD GLU A 35 -3.024 16.481 0.628 1.00 0.00 C ATOM 562 OE1 GLU A 35 -2.772 16.471 1.855 1.00 0.00 O ATOM 563 OE2 GLU A 35 -3.767 17.335 0.105 1.00 0.00 O ATOM 0 H GLU A 35 -1.551 15.799 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.093 17.779 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.534 14.785 -1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.397 15.754 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.971 15.337 -1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.514 14.435 0.249 1.00 0.00 H new ATOM 570 N PHE A 36 1.291 16.837 -2.827 1.00 0.00 N ATOM 571 CA PHE A 36 2.708 16.958 -3.199 1.00 0.00 C ATOM 572 C PHE A 36 3.550 15.813 -2.616 1.00 0.00 C ATOM 573 O PHE A 36 4.693 15.595 -3.025 1.00 0.00 O ATOM 574 CB PHE A 36 3.278 18.327 -2.778 1.00 0.00 C ATOM 575 CG PHE A 36 4.741 18.511 -3.106 1.00 0.00 C ATOM 576 CD1 PHE A 36 5.155 18.686 -4.419 1.00 0.00 C ATOM 577 CD2 PHE A 36 5.702 18.499 -2.102 1.00 0.00 C ATOM 578 CE1 PHE A 36 6.494 18.848 -4.722 1.00 0.00 C ATOM 579 CE2 PHE A 36 7.040 18.659 -2.402 1.00 0.00 C ATOM 580 CZ PHE A 36 7.436 18.834 -3.712 1.00 0.00 C ATOM 0 H PHE A 36 0.694 16.534 -3.597 1.00 0.00 H new ATOM 0 HA PHE A 36 2.763 16.886 -4.285 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.705 19.114 -3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.138 18.452 -1.704 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.423 18.696 -5.213 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.398 18.363 -1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.803 18.985 -5.748 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.776 18.647 -1.612 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.482 18.960 -3.948 1.00 0.00 H new ATOM 590 N SER A 37 2.966 15.045 -1.701 1.00 0.00 N ATOM 591 CA SER A 37 3.689 13.986 -1.002 1.00 0.00 C ATOM 592 C SER A 37 3.713 12.692 -1.826 1.00 0.00 C ATOM 593 O SER A 37 4.043 11.627 -1.310 1.00 0.00 O ATOM 594 CB SER A 37 3.042 13.738 0.372 1.00 0.00 C ATOM 595 OG SER A 37 3.790 12.809 1.144 1.00 0.00 O ATOM 0 H SER A 37 1.988 15.137 -1.425 1.00 0.00 H new ATOM 0 HA SER A 37 4.721 14.307 -0.861 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.963 14.681 0.913 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.028 13.364 0.235 1.00 0.00 H new ATOM 0 HG SER A 37 3.352 12.676 2.010 1.00 0.00 H new ATOM 601 N ALA A 38 3.405 12.799 -3.121 1.00 0.00 N ATOM 602 CA ALA A 38 3.350 11.635 -4.019 1.00 0.00 C ATOM 603 C ALA A 38 4.646 10.816 -3.979 1.00 0.00 C ATOM 604 O ALA A 38 4.673 9.652 -4.385 1.00 0.00 O ATOM 605 CB ALA A 38 3.053 12.088 -5.445 1.00 0.00 C ATOM 0 H ALA A 38 3.188 13.685 -3.577 1.00 0.00 H new ATOM 0 HA ALA A 38 2.546 10.987 -3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.014 11.219 -6.102 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.094 12.605 -5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.838 12.764 -5.783 1.00 0.00 H new ATOM 611 N GLU A 39 5.706 11.429 -3.467 1.00 0.00 N ATOM 612 CA GLU A 39 7.022 10.805 -3.416 1.00 0.00 C ATOM 613 C GLU A 39 7.036 9.583 -2.496 1.00 0.00 C ATOM 614 O GLU A 39 7.745 8.613 -2.760 1.00 0.00 O ATOM 615 CB GLU A 39 8.069 11.822 -2.940 1.00 0.00 C ATOM 616 CG GLU A 39 8.015 13.154 -3.681 1.00 0.00 C ATOM 617 CD GLU A 39 8.056 12.993 -5.194 1.00 0.00 C ATOM 618 OE1 GLU A 39 9.159 12.813 -5.755 1.00 0.00 O ATOM 619 OE2 GLU A 39 6.983 13.051 -5.832 1.00 0.00 O ATOM 0 H GLU A 39 5.678 12.371 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 39 7.266 10.469 -4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.927 12.004 -1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.062 11.390 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.104 13.683 -3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.853 13.774 -3.364 1.00 0.00 H new ATOM 626 N ASN A 40 6.236 9.618 -1.430 1.00 0.00 N ATOM 627 CA ASN A 40 6.298 8.570 -0.405 1.00 0.00 C ATOM 628 C ASN A 40 5.873 7.211 -0.966 1.00 0.00 C ATOM 629 O ASN A 40 6.479 6.190 -0.645 1.00 0.00 O ATOM 630 CB ASN A 40 5.455 8.928 0.839 1.00 0.00 C ATOM 631 CG ASN A 40 3.953 8.782 0.637 1.00 0.00 C ATOM 632 OD1 ASN A 40 3.402 7.691 0.755 1.00 0.00 O ATOM 633 ND2 ASN A 40 3.270 9.884 0.375 1.00 0.00 N ATOM 0 H ASN A 40 5.546 10.348 -1.253 1.00 0.00 H new ATOM 0 HA ASN A 40 7.340 8.500 -0.092 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.763 8.291 1.668 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.673 9.956 1.129 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.257 9.842 0.265 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.757 10.776 0.283 1.00 0.00 H new ATOM 640 N VAL A 41 4.853 7.198 -1.825 1.00 0.00 N ATOM 641 CA VAL A 41 4.332 5.941 -2.368 1.00 0.00 C ATOM 642 C VAL A 41 5.256 5.366 -3.439 1.00 0.00 C ATOM 643 O VAL A 41 5.376 4.146 -3.572 1.00 0.00 O ATOM 644 CB VAL A 41 2.901 6.091 -2.945 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.901 6.390 -1.830 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.852 7.169 -4.029 1.00 0.00 C ATOM 0 H VAL A 41 4.374 8.035 -2.158 1.00 0.00 H new ATOM 0 HA VAL A 41 4.287 5.249 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 41 2.623 5.144 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.902 6.492 -2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.907 5.574 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.179 7.318 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.836 7.251 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.158 8.125 -3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.528 6.900 -4.841 1.00 0.00 H new ATOM 656 N THR A 42 5.913 6.235 -4.205 1.00 0.00 N ATOM 657 CA THR A 42 6.845 5.774 -5.226 1.00 0.00 C ATOM 658 C THR A 42 8.157 5.335 -4.564 1.00 0.00 C ATOM 659 O THR A 42 8.823 4.409 -5.026 1.00 0.00 O ATOM 660 CB THR A 42 7.086 6.850 -6.318 1.00 0.00 C ATOM 661 OG1 THR A 42 7.793 6.285 -7.432 1.00 0.00 O ATOM 662 CG2 THR A 42 7.854 8.047 -5.778 1.00 0.00 C ATOM 0 H THR A 42 5.818 7.248 -4.138 1.00 0.00 H new ATOM 0 HA THR A 42 6.405 4.916 -5.734 1.00 0.00 H new ATOM 0 HB THR A 42 6.107 7.199 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.936 6.975 -8.113 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.000 8.775 -6.576 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.289 8.506 -4.967 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.824 7.719 -5.404 1.00 0.00 H new ATOM 670 N PHE A 43 8.490 5.989 -3.451 1.00 0.00 N ATOM 671 CA PHE A 43 9.594 5.564 -2.588 1.00 0.00 C ATOM 672 C PHE A 43 9.285 4.185 -2.006 1.00 0.00 C ATOM 673 O PHE A 43 10.125 3.282 -2.012 1.00 0.00 O ATOM 674 CB PHE A 43 9.792 6.596 -1.460 1.00 0.00 C ATOM 675 CG PHE A 43 10.642 6.119 -0.303 1.00 0.00 C ATOM 676 CD1 PHE A 43 12.025 6.188 -0.359 1.00 0.00 C ATOM 677 CD2 PHE A 43 10.050 5.608 0.847 1.00 0.00 C ATOM 678 CE1 PHE A 43 12.799 5.757 0.702 1.00 0.00 C ATOM 679 CE2 PHE A 43 10.821 5.175 1.909 1.00 0.00 C ATOM 680 CZ PHE A 43 12.196 5.250 1.836 1.00 0.00 C ATOM 0 H PHE A 43 8.005 6.824 -3.123 1.00 0.00 H new ATOM 0 HA PHE A 43 10.514 5.500 -3.169 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.248 7.491 -1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.814 6.887 -1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.504 6.583 -1.243 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.974 5.549 0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.876 5.817 0.644 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.347 4.778 2.795 1.00 0.00 H new ATOM 0 HZ PHE A 43 12.801 4.913 2.665 1.00 0.00 H new ATOM 690 N TRP A 44 8.058 4.044 -1.518 1.00 0.00 N ATOM 691 CA TRP A 44 7.586 2.803 -0.921 1.00 0.00 C ATOM 692 C TRP A 44 7.668 1.651 -1.923 1.00 0.00 C ATOM 693 O TRP A 44 8.296 0.624 -1.652 1.00 0.00 O ATOM 694 CB TRP A 44 6.142 2.989 -0.427 1.00 0.00 C ATOM 695 CG TRP A 44 5.546 1.767 0.211 1.00 0.00 C ATOM 696 CD1 TRP A 44 5.589 1.422 1.532 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.810 0.731 -0.449 1.00 0.00 C ATOM 698 NE1 TRP A 44 4.931 0.233 1.730 1.00 0.00 N ATOM 699 CE2 TRP A 44 4.445 -0.212 0.529 1.00 0.00 C ATOM 700 CE3 TRP A 44 4.431 0.510 -1.773 1.00 0.00 C ATOM 701 CZ2 TRP A 44 3.717 -1.358 0.222 1.00 0.00 C ATOM 702 CZ3 TRP A 44 3.709 -0.623 -2.079 1.00 0.00 C ATOM 703 CH2 TRP A 44 3.358 -1.546 -1.085 1.00 0.00 C ATOM 0 H TRP A 44 7.362 4.789 -1.526 1.00 0.00 H new ATOM 0 HA TRP A 44 8.225 2.553 -0.074 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.119 3.808 0.292 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.517 3.286 -1.269 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.070 2.000 2.307 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.822 -0.242 2.626 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.699 1.215 -2.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.446 -2.071 0.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 3.409 -0.802 -3.101 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.792 -2.425 -1.356 1.00 0.00 H new ATOM 714 N LYS A 45 7.042 1.834 -3.089 1.00 0.00 N ATOM 715 CA LYS A 45 6.988 0.783 -4.106 1.00 0.00 C ATOM 716 C LYS A 45 8.388 0.462 -4.627 1.00 0.00 C ATOM 717 O LYS A 45 8.671 -0.677 -4.998 1.00 0.00 O ATOM 718 CB LYS A 45 6.060 1.182 -5.270 1.00 0.00 C ATOM 719 CG LYS A 45 6.629 2.277 -6.161 1.00 0.00 C ATOM 720 CD LYS A 45 5.700 2.638 -7.320 1.00 0.00 C ATOM 721 CE LYS A 45 4.389 3.254 -6.841 1.00 0.00 C ATOM 722 NZ LYS A 45 3.596 3.806 -7.971 1.00 0.00 N ATOM 0 H LYS A 45 6.567 2.698 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 45 6.578 -0.112 -3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.856 0.301 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.106 1.517 -4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.817 3.167 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.590 1.953 -6.559 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.207 3.338 -7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.486 1.743 -7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.801 2.499 -6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.600 4.047 -6.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.712 4.216 -7.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.147 4.544 -8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.373 3.045 -8.643 1.00 0.00 H new ATOM 736 N ALA A 46 9.264 1.468 -4.646 1.00 0.00 N ATOM 737 CA ALA A 46 10.654 1.266 -5.047 1.00 0.00 C ATOM 738 C ALA A 46 11.329 0.255 -4.122 1.00 0.00 C ATOM 739 O ALA A 46 11.986 -0.681 -4.575 1.00 0.00 O ATOM 740 CB ALA A 46 11.411 2.589 -5.039 1.00 0.00 C ATOM 0 H ALA A 46 9.035 2.428 -4.389 1.00 0.00 H new ATOM 0 HA ALA A 46 10.669 0.871 -6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.445 2.419 -5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.939 3.282 -5.736 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.391 3.014 -4.035 1.00 0.00 H new ATOM 746 N CYS A 47 11.137 0.442 -2.820 1.00 0.00 N ATOM 747 CA CYS A 47 11.694 -0.466 -1.821 1.00 0.00 C ATOM 748 C CYS A 47 10.974 -1.816 -1.861 1.00 0.00 C ATOM 749 O CYS A 47 11.561 -2.855 -1.546 1.00 0.00 O ATOM 750 CB CYS A 47 11.584 0.158 -0.426 1.00 0.00 C ATOM 751 SG CYS A 47 12.389 1.770 -0.271 1.00 0.00 S ATOM 0 H CYS A 47 10.599 1.216 -2.430 1.00 0.00 H new ATOM 0 HA CYS A 47 12.747 -0.633 -2.049 1.00 0.00 H new ATOM 0 HB2 CYS A 47 10.530 0.264 -0.170 1.00 0.00 H new ATOM 0 HB3 CYS A 47 12.021 -0.526 0.301 1.00 0.00 H new ATOM 0 HG CYS A 47 11.702 2.662 -0.921 1.00 0.00 H new ATOM 757 N GLU A 48 9.701 -1.789 -2.257 1.00 0.00 N ATOM 758 CA GLU A 48 8.889 -3.001 -2.366 1.00 0.00 C ATOM 759 C GLU A 48 9.402 -3.859 -3.529 1.00 0.00 C ATOM 760 O GLU A 48 9.421 -5.087 -3.449 1.00 0.00 O ATOM 761 CB GLU A 48 7.406 -2.622 -2.564 1.00 0.00 C ATOM 762 CG GLU A 48 6.398 -3.649 -2.038 1.00 0.00 C ATOM 763 CD GLU A 48 6.429 -4.983 -2.773 1.00 0.00 C ATOM 764 OE1 GLU A 48 5.994 -5.037 -3.945 1.00 0.00 O ATOM 765 OE2 GLU A 48 6.865 -5.990 -2.174 1.00 0.00 O ATOM 0 H GLU A 48 9.207 -0.933 -2.509 1.00 0.00 H new ATOM 0 HA GLU A 48 8.970 -3.583 -1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.221 -1.668 -2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.225 -2.470 -3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.593 -3.825 -0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.395 -3.229 -2.112 1.00 0.00 H new ATOM 772 N ARG A 49 9.833 -3.196 -4.601 1.00 0.00 N ATOM 773 CA ARG A 49 10.446 -3.877 -5.740 1.00 0.00 C ATOM 774 C ARG A 49 11.853 -4.355 -5.382 1.00 0.00 C ATOM 775 O ARG A 49 12.260 -5.459 -5.752 1.00 0.00 O ATOM 776 CB ARG A 49 10.491 -2.945 -6.967 1.00 0.00 C ATOM 777 CG ARG A 49 11.470 -3.394 -8.053 1.00 0.00 C ATOM 778 CD ARG A 49 11.358 -2.551 -9.320 1.00 0.00 C ATOM 779 NE ARG A 49 10.231 -2.970 -10.161 1.00 0.00 N ATOM 780 CZ ARG A 49 9.777 -2.280 -11.211 1.00 0.00 C ATOM 781 NH1 ARG A 49 10.270 -1.078 -11.492 1.00 0.00 N ATOM 782 NH2 ARG A 49 8.811 -2.790 -11.969 1.00 0.00 N ATOM 0 H ARG A 49 9.768 -2.183 -4.704 1.00 0.00 H new ATOM 0 HA ARG A 49 9.838 -4.746 -5.989 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.492 -2.879 -7.397 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.763 -1.942 -6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.488 -3.334 -7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.283 -4.440 -8.298 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.237 -1.502 -9.048 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.284 -2.628 -9.890 1.00 0.00 H new ATOM 0 HE ARG A 49 9.763 -3.846 -9.929 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.000 -0.676 -10.904 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.918 -0.558 -12.296 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.419 -3.705 -11.748 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.462 -2.266 -12.771 1.00 0.00 H new ATOM 796 N PHE A 50 12.581 -3.523 -4.645 1.00 0.00 N ATOM 797 CA PHE A 50 13.954 -3.827 -4.252 1.00 0.00 C ATOM 798 C PHE A 50 14.009 -5.131 -3.452 1.00 0.00 C ATOM 799 O PHE A 50 14.864 -5.984 -3.688 1.00 0.00 O ATOM 800 CB PHE A 50 14.531 -2.670 -3.423 1.00 0.00 C ATOM 801 CG PHE A 50 16.033 -2.704 -3.272 1.00 0.00 C ATOM 802 CD1 PHE A 50 16.658 -3.695 -2.527 1.00 0.00 C ATOM 803 CD2 PHE A 50 16.822 -1.737 -3.875 1.00 0.00 C ATOM 804 CE1 PHE A 50 18.033 -3.715 -2.391 1.00 0.00 C ATOM 805 CE2 PHE A 50 18.195 -1.755 -3.740 1.00 0.00 C ATOM 806 CZ PHE A 50 18.802 -2.745 -2.997 1.00 0.00 C ATOM 0 H PHE A 50 12.240 -2.624 -4.305 1.00 0.00 H new ATOM 0 HA PHE A 50 14.555 -3.952 -5.153 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.245 -1.727 -3.889 1.00 0.00 H new ATOM 0 HB3 PHE A 50 14.077 -2.687 -2.432 1.00 0.00 H new ATOM 0 HD1 PHE A 50 16.063 -4.459 -2.048 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.355 -0.958 -4.459 1.00 0.00 H new ATOM 0 HE1 PHE A 50 18.506 -4.492 -1.809 1.00 0.00 H new ATOM 0 HE2 PHE A 50 18.794 -0.993 -4.217 1.00 0.00 H new ATOM 0 HZ PHE A 50 19.877 -2.760 -2.890 1.00 0.00 H new ATOM 816 N GLN A 51 13.074 -5.291 -2.521 1.00 0.00 N ATOM 817 CA GLN A 51 13.045 -6.469 -1.652 1.00 0.00 C ATOM 818 C GLN A 51 12.634 -7.725 -2.427 1.00 0.00 C ATOM 819 O GLN A 51 12.594 -8.825 -1.868 1.00 0.00 O ATOM 820 CB GLN A 51 12.105 -6.235 -0.460 1.00 0.00 C ATOM 821 CG GLN A 51 10.673 -5.897 -0.855 1.00 0.00 C ATOM 822 CD GLN A 51 9.787 -5.570 0.337 1.00 0.00 C ATOM 823 OE1 GLN A 51 10.256 -5.080 1.366 1.00 0.00 O ATOM 824 NE2 GLN A 51 8.493 -5.809 0.195 1.00 0.00 N ATOM 0 H GLN A 51 12.325 -4.621 -2.347 1.00 0.00 H new ATOM 0 HA GLN A 51 14.054 -6.630 -1.273 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.097 -7.129 0.164 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.504 -5.424 0.150 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.682 -5.047 -1.538 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.244 -6.739 -1.399 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.142 -6.216 -0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.847 -5.586 0.952 1.00 0.00 H new ATOM 833 N GLN A 52 12.322 -7.562 -3.713 1.00 0.00 N ATOM 834 CA GLN A 52 12.008 -8.698 -4.577 1.00 0.00 C ATOM 835 C GLN A 52 13.280 -9.233 -5.224 1.00 0.00 C ATOM 836 O GLN A 52 13.335 -10.392 -5.646 1.00 0.00 O ATOM 837 CB GLN A 52 10.992 -8.300 -5.657 1.00 0.00 C ATOM 838 CG GLN A 52 9.688 -7.740 -5.099 1.00 0.00 C ATOM 839 CD GLN A 52 9.025 -8.662 -4.088 1.00 0.00 C ATOM 840 OE1 GLN A 52 9.147 -9.889 -4.160 1.00 0.00 O ATOM 841 NE2 GLN A 52 8.320 -8.080 -3.133 1.00 0.00 N ATOM 0 H GLN A 52 12.280 -6.655 -4.178 1.00 0.00 H new ATOM 0 HA GLN A 52 11.565 -9.482 -3.963 1.00 0.00 H new ATOM 0 HB2 GLN A 52 11.445 -7.556 -6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.769 -9.172 -6.271 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.886 -6.777 -4.628 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.997 -7.557 -5.922 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.241 -7.063 -3.105 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.855 -8.648 -2.424 1.00 0.00 H new ATOM 850 N ILE A 53 14.299 -8.380 -5.293 1.00 0.00 N ATOM 851 CA ILE A 53 15.595 -8.759 -5.847 1.00 0.00 C ATOM 852 C ILE A 53 16.208 -9.887 -5.011 1.00 0.00 C ATOM 853 O ILE A 53 16.284 -9.771 -3.786 1.00 0.00 O ATOM 854 CB ILE A 53 16.578 -7.559 -5.873 1.00 0.00 C ATOM 855 CG1 ILE A 53 15.968 -6.364 -6.626 1.00 0.00 C ATOM 856 CG2 ILE A 53 17.906 -7.970 -6.509 1.00 0.00 C ATOM 857 CD1 ILE A 53 16.835 -5.119 -6.595 1.00 0.00 C ATOM 0 H ILE A 53 14.250 -7.414 -4.969 1.00 0.00 H new ATOM 0 HA ILE A 53 15.431 -9.094 -6.871 1.00 0.00 H new ATOM 0 HB ILE A 53 16.765 -7.251 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.794 -6.650 -7.663 1.00 0.00 H new ATOM 0 HG13 ILE A 53 14.996 -6.130 -6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 53 18.584 -7.117 -6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 53 18.351 -8.780 -5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.731 -8.307 -7.531 1.00 0.00 H new ATOM 0 HD11 ILE A 53 16.341 -4.318 -7.146 1.00 0.00 H new ATOM 0 HD12 ILE A 53 16.988 -4.808 -5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 53 17.799 -5.335 -7.055 1.00 0.00 H new ATOM 869 N PRO A 54 16.621 -11.001 -5.651 1.00 0.00 N ATOM 870 CA PRO A 54 17.252 -12.133 -4.955 1.00 0.00 C ATOM 871 C PRO A 54 18.411 -11.696 -4.051 1.00 0.00 C ATOM 872 O PRO A 54 18.276 -11.693 -2.824 1.00 0.00 O ATOM 873 CB PRO A 54 17.750 -13.022 -6.103 1.00 0.00 C ATOM 874 CG PRO A 54 16.821 -12.721 -7.230 1.00 0.00 C ATOM 875 CD PRO A 54 16.483 -11.259 -7.100 1.00 0.00 C ATOM 0 HA PRO A 54 16.559 -12.639 -4.283 1.00 0.00 H new ATOM 0 HB2 PRO A 54 18.782 -12.791 -6.366 1.00 0.00 H new ATOM 0 HB3 PRO A 54 17.718 -14.077 -5.832 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.291 -12.930 -8.191 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.924 -13.337 -7.173 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.160 -10.637 -7.685 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.473 -11.048 -7.451 1.00 0.00 H new ATOM 883 N ALA A 55 19.533 -11.302 -4.669 1.00 0.00 N ATOM 884 CA ALA A 55 20.737 -10.880 -3.935 1.00 0.00 C ATOM 885 C ALA A 55 21.922 -10.726 -4.886 1.00 0.00 C ATOM 886 O ALA A 55 22.677 -9.757 -4.810 1.00 0.00 O ATOM 887 CB ALA A 55 21.099 -11.884 -2.837 1.00 0.00 C ATOM 0 H ALA A 55 19.633 -11.266 -5.683 1.00 0.00 H new ATOM 0 HA ALA A 55 20.515 -9.918 -3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 55 21.992 -11.544 -2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 55 20.273 -11.964 -2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 55 21.290 -12.859 -3.284 1.00 0.00 H new ATOM 893 N SER A 56 22.066 -11.690 -5.791 1.00 0.00 N ATOM 894 CA SER A 56 23.216 -11.748 -6.693 1.00 0.00 C ATOM 895 C SER A 56 23.180 -10.608 -7.717 1.00 0.00 C ATOM 896 O SER A 56 24.171 -10.335 -8.400 1.00 0.00 O ATOM 897 CB SER A 56 23.246 -13.109 -7.404 1.00 0.00 C ATOM 898 OG SER A 56 24.421 -13.264 -8.181 1.00 0.00 O ATOM 0 H SER A 56 21.396 -12.448 -5.921 1.00 0.00 H new ATOM 0 HA SER A 56 24.124 -11.630 -6.102 1.00 0.00 H new ATOM 0 HB2 SER A 56 23.190 -13.908 -6.665 1.00 0.00 H new ATOM 0 HB3 SER A 56 22.370 -13.205 -8.045 1.00 0.00 H new ATOM 0 HG SER A 56 24.755 -12.382 -8.448 1.00 0.00 H new ATOM 904 N ASP A 57 22.036 -9.938 -7.809 1.00 0.00 N ATOM 905 CA ASP A 57 21.836 -8.844 -8.756 1.00 0.00 C ATOM 906 C ASP A 57 22.416 -7.551 -8.188 1.00 0.00 C ATOM 907 O ASP A 57 21.751 -6.514 -8.177 1.00 0.00 O ATOM 908 CB ASP A 57 20.334 -8.664 -9.032 1.00 0.00 C ATOM 909 CG ASP A 57 19.608 -9.989 -9.204 1.00 0.00 C ATOM 910 OD1 ASP A 57 19.454 -10.716 -8.195 1.00 0.00 O ATOM 911 OD2 ASP A 57 19.202 -10.315 -10.337 1.00 0.00 O ATOM 0 H ASP A 57 21.221 -10.137 -7.230 1.00 0.00 H new ATOM 0 HA ASP A 57 22.346 -9.083 -9.689 1.00 0.00 H new ATOM 0 HB2 ASP A 57 19.881 -8.110 -8.210 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.203 -8.063 -9.932 1.00 0.00 H new ATOM 916 N THR A 58 23.668 -7.613 -7.733 1.00 0.00 N ATOM 917 CA THR A 58 24.324 -6.478 -7.086 1.00 0.00 C ATOM 918 C THR A 58 24.243 -5.216 -7.951 1.00 0.00 C ATOM 919 O THR A 58 24.180 -4.101 -7.430 1.00 0.00 O ATOM 920 CB THR A 58 25.799 -6.806 -6.756 1.00 0.00 C ATOM 921 OG1 THR A 58 25.856 -7.991 -5.944 1.00 0.00 O ATOM 922 CG2 THR A 58 26.482 -5.653 -6.022 1.00 0.00 C ATOM 0 H THR A 58 24.252 -8.446 -7.802 1.00 0.00 H new ATOM 0 HA THR A 58 23.793 -6.285 -6.154 1.00 0.00 H new ATOM 0 HB THR A 58 26.327 -6.967 -7.696 1.00 0.00 H new ATOM 0 HG1 THR A 58 26.790 -8.200 -5.736 1.00 0.00 H new ATOM 0 HG21 THR A 58 27.517 -5.920 -5.807 1.00 0.00 H new ATOM 0 HG22 THR A 58 26.460 -4.760 -6.647 1.00 0.00 H new ATOM 0 HG23 THR A 58 25.957 -5.455 -5.088 1.00 0.00 H new ATOM 930 N GLN A 59 24.210 -5.401 -9.271 1.00 0.00 N ATOM 931 CA GLN A 59 24.063 -4.282 -10.197 1.00 0.00 C ATOM 932 C GLN A 59 22.719 -3.588 -9.978 1.00 0.00 C ATOM 933 O GLN A 59 22.654 -2.368 -9.819 1.00 0.00 O ATOM 934 CB GLN A 59 24.178 -4.759 -11.651 1.00 0.00 C ATOM 935 CG GLN A 59 25.500 -5.450 -11.971 1.00 0.00 C ATOM 936 CD GLN A 59 25.660 -5.744 -13.452 1.00 0.00 C ATOM 937 OE1 GLN A 59 26.204 -4.931 -14.202 1.00 0.00 O ATOM 938 NE2 GLN A 59 25.173 -6.895 -13.887 1.00 0.00 N ATOM 0 H GLN A 59 24.283 -6.314 -9.721 1.00 0.00 H new ATOM 0 HA GLN A 59 24.866 -3.571 -10.003 1.00 0.00 H new ATOM 0 HB2 GLN A 59 23.359 -5.446 -11.864 1.00 0.00 H new ATOM 0 HB3 GLN A 59 24.056 -3.903 -12.315 1.00 0.00 H new ATOM 0 HG2 GLN A 59 26.325 -4.820 -11.638 1.00 0.00 H new ATOM 0 HG3 GLN A 59 25.564 -6.382 -11.410 1.00 0.00 H new ATOM 0 HE21 GLN A 59 24.730 -7.541 -13.234 1.00 0.00 H new ATOM 0 HE22 GLN A 59 25.241 -7.136 -14.876 1.00 0.00 H new ATOM 947 N GLN A 60 21.649 -4.383 -9.940 1.00 0.00 N ATOM 948 CA GLN A 60 20.303 -3.844 -9.761 1.00 0.00 C ATOM 949 C GLN A 60 20.147 -3.306 -8.342 1.00 0.00 C ATOM 950 O GLN A 60 19.480 -2.296 -8.120 1.00 0.00 O ATOM 951 CB GLN A 60 19.232 -4.911 -10.050 1.00 0.00 C ATOM 952 CG GLN A 60 17.908 -4.318 -10.535 1.00 0.00 C ATOM 953 CD GLN A 60 16.850 -5.370 -10.824 1.00 0.00 C ATOM 954 OE1 GLN A 60 16.789 -5.919 -11.926 1.00 0.00 O ATOM 955 NE2 GLN A 60 15.970 -5.612 -9.867 1.00 0.00 N ATOM 0 H GLN A 60 21.689 -5.398 -10.030 1.00 0.00 H new ATOM 0 HA GLN A 60 20.162 -3.030 -10.472 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.611 -5.602 -10.803 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.053 -5.492 -9.145 1.00 0.00 H new ATOM 0 HG2 GLN A 60 17.529 -3.628 -9.781 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.088 -3.735 -11.438 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.052 -5.139 -8.967 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.209 -6.272 -10.029 1.00 0.00 H new ATOM 964 N LEU A 61 20.783 -3.988 -7.388 1.00 0.00 N ATOM 965 CA LEU A 61 20.791 -3.548 -5.996 1.00 0.00 C ATOM 966 C LEU A 61 21.361 -2.138 -5.897 1.00 0.00 C ATOM 967 O LEU A 61 20.741 -1.245 -5.330 1.00 0.00 O ATOM 968 CB LEU A 61 21.627 -4.500 -5.121 1.00 0.00 C ATOM 969 CG LEU A 61 21.090 -5.935 -4.969 1.00 0.00 C ATOM 970 CD1 LEU A 61 22.050 -6.781 -4.135 1.00 0.00 C ATOM 971 CD2 LEU A 61 19.701 -5.932 -4.339 1.00 0.00 C ATOM 0 H LEU A 61 21.301 -4.850 -7.557 1.00 0.00 H new ATOM 0 HA LEU A 61 19.763 -3.554 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 61 22.633 -4.553 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.717 -4.061 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 61 21.013 -6.374 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 61 21.654 -7.792 -4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 61 23.023 -6.818 -4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 61 22.159 -6.338 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.343 -6.957 -4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.750 -5.470 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 61 19.016 -5.367 -4.971 1.00 0.00 H new ATOM 983 N ALA A 62 22.543 -1.947 -6.472 1.00 0.00 N ATOM 984 CA ALA A 62 23.214 -0.653 -6.447 1.00 0.00 C ATOM 985 C ALA A 62 22.368 0.412 -7.140 1.00 0.00 C ATOM 986 O ALA A 62 22.224 1.529 -6.639 1.00 0.00 O ATOM 987 CB ALA A 62 24.585 -0.759 -7.105 1.00 0.00 C ATOM 0 H ALA A 62 23.059 -2.677 -6.964 1.00 0.00 H new ATOM 0 HA ALA A 62 23.347 -0.354 -5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 62 25.077 0.214 -7.080 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.192 -1.486 -6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.468 -1.080 -8.140 1.00 0.00 H new ATOM 993 N GLN A 63 21.799 0.050 -8.286 1.00 0.00 N ATOM 994 CA GLN A 63 20.979 0.970 -9.072 1.00 0.00 C ATOM 995 C GLN A 63 19.752 1.437 -8.294 1.00 0.00 C ATOM 996 O GLN A 63 19.531 2.637 -8.135 1.00 0.00 O ATOM 997 CB GLN A 63 20.553 0.317 -10.393 1.00 0.00 C ATOM 998 CG GLN A 63 21.656 0.310 -11.442 1.00 0.00 C ATOM 999 CD GLN A 63 22.076 1.717 -11.838 1.00 0.00 C ATOM 1000 OE1 GLN A 63 21.269 2.647 -11.814 1.00 0.00 O ATOM 1001 NE2 GLN A 63 23.337 1.886 -12.198 1.00 0.00 N ATOM 0 H GLN A 63 21.891 -0.880 -8.694 1.00 0.00 H new ATOM 0 HA GLN A 63 21.589 1.847 -9.290 1.00 0.00 H new ATOM 0 HB2 GLN A 63 20.239 -0.708 -10.199 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.687 0.846 -10.790 1.00 0.00 H new ATOM 0 HG2 GLN A 63 22.520 -0.231 -11.056 1.00 0.00 H new ATOM 0 HG3 GLN A 63 21.312 -0.228 -12.326 1.00 0.00 H new ATOM 0 HE21 GLN A 63 23.976 1.091 -12.205 1.00 0.00 H new ATOM 0 HE22 GLN A 63 23.671 2.811 -12.468 1.00 0.00 H new ATOM 1010 N GLU A 64 18.962 0.493 -7.805 1.00 0.00 N ATOM 1011 CA GLU A 64 17.746 0.833 -7.082 1.00 0.00 C ATOM 1012 C GLU A 64 18.076 1.464 -5.727 1.00 0.00 C ATOM 1013 O GLU A 64 17.320 2.293 -5.227 1.00 0.00 O ATOM 1014 CB GLU A 64 16.837 -0.396 -6.934 1.00 0.00 C ATOM 1015 CG GLU A 64 16.307 -0.915 -8.271 1.00 0.00 C ATOM 1016 CD GLU A 64 15.209 -1.957 -8.121 1.00 0.00 C ATOM 1017 OE1 GLU A 64 14.191 -1.656 -7.464 1.00 0.00 O ATOM 1018 OE2 GLU A 64 15.347 -3.065 -8.683 1.00 0.00 O ATOM 0 H GLU A 64 19.139 -0.508 -7.895 1.00 0.00 H new ATOM 0 HA GLU A 64 17.197 1.576 -7.661 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.391 -1.192 -6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.995 -0.142 -6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.925 -0.076 -8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.132 -1.346 -8.838 1.00 0.00 H new ATOM 1025 N ALA A 65 19.222 1.097 -5.153 1.00 0.00 N ATOM 1026 CA ALA A 65 19.685 1.708 -3.906 1.00 0.00 C ATOM 1027 C ALA A 65 19.988 3.187 -4.118 1.00 0.00 C ATOM 1028 O ALA A 65 19.545 4.033 -3.343 1.00 0.00 O ATOM 1029 CB ALA A 65 20.919 0.991 -3.365 1.00 0.00 C ATOM 0 H ALA A 65 19.845 0.382 -5.530 1.00 0.00 H new ATOM 0 HA ALA A 65 18.886 1.612 -3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 65 21.240 1.467 -2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.677 -0.054 -3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.723 1.047 -4.099 1.00 0.00 H new ATOM 1035 N ARG A 66 20.735 3.497 -5.180 1.00 0.00 N ATOM 1036 CA ARG A 66 21.093 4.884 -5.476 1.00 0.00 C ATOM 1037 C ARG A 66 19.872 5.651 -5.980 1.00 0.00 C ATOM 1038 O ARG A 66 19.786 6.865 -5.822 1.00 0.00 O ATOM 1039 CB ARG A 66 22.270 4.962 -6.479 1.00 0.00 C ATOM 1040 CG ARG A 66 21.985 4.416 -7.886 1.00 0.00 C ATOM 1041 CD ARG A 66 21.286 5.438 -8.787 1.00 0.00 C ATOM 1042 NE ARG A 66 20.900 4.869 -10.083 1.00 0.00 N ATOM 1043 CZ ARG A 66 19.871 5.302 -10.817 1.00 0.00 C ATOM 1044 NH1 ARG A 66 19.131 6.327 -10.405 1.00 0.00 N ATOM 1045 NH2 ARG A 66 19.592 4.714 -11.974 1.00 0.00 N ATOM 0 H ARG A 66 21.100 2.813 -5.843 1.00 0.00 H new ATOM 0 HA ARG A 66 21.431 5.355 -4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 66 22.578 6.004 -6.569 1.00 0.00 H new ATOM 0 HB3 ARG A 66 23.115 4.415 -6.062 1.00 0.00 H new ATOM 0 HG2 ARG A 66 22.923 4.111 -8.350 1.00 0.00 H new ATOM 0 HG3 ARG A 66 21.364 3.524 -7.806 1.00 0.00 H new ATOM 0 HD2 ARG A 66 20.398 5.817 -8.281 1.00 0.00 H new ATOM 0 HD3 ARG A 66 21.948 6.288 -8.949 1.00 0.00 H new ATOM 0 HE ARG A 66 21.453 4.093 -10.447 1.00 0.00 H new ATOM 0 HH11 ARG A 66 19.347 6.790 -9.522 1.00 0.00 H new ATOM 0 HH12 ARG A 66 18.347 6.651 -10.972 1.00 0.00 H new ATOM 0 HH21 ARG A 66 20.163 3.934 -12.300 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.807 5.042 -12.537 1.00 0.00 H new ATOM 1059 N ASN A 67 18.931 4.929 -6.589 1.00 0.00 N ATOM 1060 CA ASN A 67 17.669 5.522 -7.031 1.00 0.00 C ATOM 1061 C ASN A 67 16.877 6.007 -5.822 1.00 0.00 C ATOM 1062 O ASN A 67 16.490 7.173 -5.742 1.00 0.00 O ATOM 1063 CB ASN A 67 16.845 4.499 -7.836 1.00 0.00 C ATOM 1064 CG ASN A 67 15.458 5.001 -8.233 1.00 0.00 C ATOM 1065 OD1 ASN A 67 14.511 4.218 -8.326 1.00 0.00 O ATOM 1066 ND2 ASN A 67 15.323 6.296 -8.487 1.00 0.00 N ATOM 0 H ASN A 67 19.019 3.932 -6.787 1.00 0.00 H new ATOM 0 HA ASN A 67 17.886 6.372 -7.679 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.396 4.231 -8.737 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.737 3.589 -7.246 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.416 6.669 -8.768 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.126 6.919 -8.401 1.00 0.00 H new ATOM 1073 N ILE A 68 16.663 5.103 -4.871 1.00 0.00 N ATOM 1074 CA ILE A 68 15.971 5.435 -3.632 1.00 0.00 C ATOM 1075 C ILE A 68 16.741 6.519 -2.871 1.00 0.00 C ATOM 1076 O ILE A 68 16.165 7.505 -2.399 1.00 0.00 O ATOM 1077 CB ILE A 68 15.807 4.181 -2.730 1.00 0.00 C ATOM 1078 CG1 ILE A 68 14.992 3.091 -3.453 1.00 0.00 C ATOM 1079 CG2 ILE A 68 15.143 4.554 -1.407 1.00 0.00 C ATOM 1080 CD1 ILE A 68 14.904 1.779 -2.694 1.00 0.00 C ATOM 0 H ILE A 68 16.961 4.130 -4.936 1.00 0.00 H new ATOM 0 HA ILE A 68 14.980 5.807 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 68 16.799 3.783 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.983 3.464 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.440 2.905 -4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.037 3.662 -0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.759 5.286 -0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.159 4.980 -1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.314 1.065 -3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.907 1.380 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.428 1.949 -1.728 1.00 0.00 H new ATOM 1092 N TYR A 69 18.054 6.334 -2.789 1.00 0.00 N ATOM 1093 CA TYR A 69 18.925 7.241 -2.051 1.00 0.00 C ATOM 1094 C TYR A 69 18.873 8.654 -2.635 1.00 0.00 C ATOM 1095 O TYR A 69 18.416 9.589 -1.981 1.00 0.00 O ATOM 1096 CB TYR A 69 20.374 6.718 -2.067 1.00 0.00 C ATOM 1097 CG TYR A 69 21.344 7.545 -1.233 1.00 0.00 C ATOM 1098 CD1 TYR A 69 21.977 8.660 -1.772 1.00 0.00 C ATOM 1099 CD2 TYR A 69 21.625 7.208 0.089 1.00 0.00 C ATOM 1100 CE1 TYR A 69 22.855 9.416 -1.023 1.00 0.00 C ATOM 1101 CE2 TYR A 69 22.506 7.961 0.846 1.00 0.00 C ATOM 1102 CZ TYR A 69 23.118 9.063 0.285 1.00 0.00 C ATOM 1103 OH TYR A 69 23.998 9.813 1.033 1.00 0.00 O ATOM 0 H TYR A 69 18.543 5.555 -3.230 1.00 0.00 H new ATOM 0 HA TYR A 69 18.571 7.284 -1.021 1.00 0.00 H new ATOM 0 HB2 TYR A 69 20.382 5.691 -1.702 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.728 6.693 -3.098 1.00 0.00 H new ATOM 0 HD1 TYR A 69 21.777 8.939 -2.796 1.00 0.00 H new ATOM 0 HD2 TYR A 69 21.148 6.345 0.530 1.00 0.00 H new ATOM 0 HE1 TYR A 69 23.334 10.280 -1.458 1.00 0.00 H new ATOM 0 HE2 TYR A 69 22.713 7.687 1.870 1.00 0.00 H new ATOM 0 HH TYR A 69 24.071 9.431 1.933 1.00 0.00 H new ATOM 1113 N GLN A 70 19.316 8.797 -3.873 1.00 0.00 N ATOM 1114 CA GLN A 70 19.519 10.112 -4.473 1.00 0.00 C ATOM 1115 C GLN A 70 18.202 10.832 -4.770 1.00 0.00 C ATOM 1116 O GLN A 70 18.134 12.052 -4.653 1.00 0.00 O ATOM 1117 CB GLN A 70 20.367 9.988 -5.744 1.00 0.00 C ATOM 1118 CG GLN A 70 21.802 9.532 -5.483 1.00 0.00 C ATOM 1119 CD GLN A 70 22.562 9.232 -6.764 1.00 0.00 C ATOM 1120 OE1 GLN A 70 22.543 8.105 -7.259 1.00 0.00 O ATOM 1121 NE2 GLN A 70 23.234 10.232 -7.310 1.00 0.00 N ATOM 0 H GLN A 70 19.544 8.016 -4.488 1.00 0.00 H new ATOM 0 HA GLN A 70 20.052 10.722 -3.743 1.00 0.00 H new ATOM 0 HB2 GLN A 70 19.888 9.281 -6.422 1.00 0.00 H new ATOM 0 HB3 GLN A 70 20.388 10.952 -6.252 1.00 0.00 H new ATOM 0 HG2 GLN A 70 22.329 10.306 -4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.788 8.640 -4.856 1.00 0.00 H new ATOM 0 HE21 GLN A 70 23.226 11.152 -6.870 1.00 0.00 H new ATOM 0 HE22 GLN A 70 23.760 10.083 -8.171 1.00 0.00 H new ATOM 1130 N GLU A 71 17.157 10.086 -5.134 1.00 0.00 N ATOM 1131 CA GLU A 71 15.880 10.702 -5.520 1.00 0.00 C ATOM 1132 C GLU A 71 14.911 10.857 -4.343 1.00 0.00 C ATOM 1133 O GLU A 71 13.872 11.502 -4.492 1.00 0.00 O ATOM 1134 CB GLU A 71 15.190 9.895 -6.641 1.00 0.00 C ATOM 1135 CG GLU A 71 15.733 10.147 -8.048 1.00 0.00 C ATOM 1136 CD GLU A 71 17.111 9.546 -8.299 1.00 0.00 C ATOM 1137 OE1 GLU A 71 18.126 10.217 -8.033 1.00 0.00 O ATOM 1138 OE2 GLU A 71 17.184 8.402 -8.802 1.00 0.00 O ATOM 0 H GLU A 71 17.165 9.067 -5.171 1.00 0.00 H new ATOM 0 HA GLU A 71 16.129 11.700 -5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 71 15.287 8.833 -6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.125 10.127 -6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 71 15.032 9.738 -8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 71 15.780 11.222 -8.221 1.00 0.00 H new ATOM 1145 N PHE A 72 15.214 10.270 -3.178 1.00 0.00 N ATOM 1146 CA PHE A 72 14.278 10.357 -2.040 1.00 0.00 C ATOM 1147 C PHE A 72 14.982 10.599 -0.703 1.00 0.00 C ATOM 1148 O PHE A 72 14.438 11.275 0.175 1.00 0.00 O ATOM 1149 CB PHE A 72 13.423 9.083 -1.957 1.00 0.00 C ATOM 1150 CG PHE A 72 12.688 8.784 -3.240 1.00 0.00 C ATOM 1151 CD1 PHE A 72 11.527 9.468 -3.568 1.00 0.00 C ATOM 1152 CD2 PHE A 72 13.178 7.840 -4.131 1.00 0.00 C ATOM 1153 CE1 PHE A 72 10.870 9.213 -4.755 1.00 0.00 C ATOM 1154 CE2 PHE A 72 12.528 7.585 -5.319 1.00 0.00 C ATOM 1155 CZ PHE A 72 11.373 8.271 -5.632 1.00 0.00 C ATOM 0 H PHE A 72 16.070 9.745 -2.997 1.00 0.00 H new ATOM 0 HA PHE A 72 13.641 11.222 -2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.063 8.238 -1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 72 12.701 9.188 -1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.133 10.208 -2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 72 14.081 7.298 -3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.964 9.749 -4.998 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.922 6.849 -6.004 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.862 8.072 -6.562 1.00 0.00 H new ATOM 1165 N LEU A 73 16.180 10.051 -0.540 1.00 0.00 N ATOM 1166 CA LEU A 73 16.882 10.107 0.747 1.00 0.00 C ATOM 1167 C LEU A 73 18.001 11.152 0.747 1.00 0.00 C ATOM 1168 O LEU A 73 18.570 11.460 1.794 1.00 0.00 O ATOM 1169 CB LEU A 73 17.452 8.722 1.074 1.00 0.00 C ATOM 1170 CG LEU A 73 16.414 7.587 1.092 1.00 0.00 C ATOM 1171 CD1 LEU A 73 17.089 6.234 1.283 1.00 0.00 C ATOM 1172 CD2 LEU A 73 15.372 7.828 2.178 1.00 0.00 C ATOM 0 H LEU A 73 16.689 9.563 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 73 16.164 10.405 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 73 18.223 8.479 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.939 8.766 2.048 1.00 0.00 H new ATOM 0 HG LEU A 73 15.907 7.577 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 73 16.333 5.448 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.787 6.057 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.630 6.228 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.647 7.014 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 73 15.863 7.872 3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.860 8.771 1.988 1.00 0.00 H new ATOM 1184 N SER A 74 18.311 11.691 -0.426 1.00 0.00 N ATOM 1185 CA SER A 74 19.390 12.662 -0.572 1.00 0.00 C ATOM 1186 C SER A 74 18.893 14.079 -0.289 1.00 0.00 C ATOM 1187 O SER A 74 17.688 14.318 -0.178 1.00 0.00 O ATOM 1188 CB SER A 74 19.974 12.582 -1.985 1.00 0.00 C ATOM 1189 OG SER A 74 21.059 13.478 -2.154 1.00 0.00 O ATOM 0 H SER A 74 17.827 11.470 -1.296 1.00 0.00 H new ATOM 0 HA SER A 74 20.168 12.424 0.154 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.308 11.564 -2.184 1.00 0.00 H new ATOM 0 HB3 SER A 74 19.196 12.810 -2.714 1.00 0.00 H new ATOM 0 HG SER A 74 21.409 13.400 -3.066 1.00 0.00 H new ATOM 1195 N SER A 75 19.831 15.015 -0.184 1.00 0.00 N ATOM 1196 CA SER A 75 19.509 16.416 0.048 1.00 0.00 C ATOM 1197 C SER A 75 18.957 17.042 -1.235 1.00 0.00 C ATOM 1198 O SER A 75 18.041 17.866 -1.203 1.00 0.00 O ATOM 1199 CB SER A 75 20.763 17.165 0.522 1.00 0.00 C ATOM 1200 OG SER A 75 20.458 18.482 0.956 1.00 0.00 O ATOM 0 H SER A 75 20.830 14.824 -0.257 1.00 0.00 H new ATOM 0 HA SER A 75 18.747 16.490 0.824 1.00 0.00 H new ATOM 0 HB2 SER A 75 21.230 16.613 1.337 1.00 0.00 H new ATOM 0 HB3 SER A 75 21.489 17.209 -0.290 1.00 0.00 H new ATOM 0 HG SER A 75 21.279 18.927 1.252 1.00 0.00 H new ATOM 1206 N GLN A 76 19.514 16.620 -2.369 1.00 0.00 N ATOM 1207 CA GLN A 76 19.084 17.100 -3.682 1.00 0.00 C ATOM 1208 C GLN A 76 18.147 16.069 -4.322 1.00 0.00 C ATOM 1209 O GLN A 76 18.158 15.857 -5.535 1.00 0.00 O ATOM 1210 CB GLN A 76 20.311 17.348 -4.574 1.00 0.00 C ATOM 1211 CG GLN A 76 20.007 18.133 -5.849 1.00 0.00 C ATOM 1212 CD GLN A 76 21.225 18.283 -6.742 1.00 0.00 C ATOM 1213 OE1 GLN A 76 21.471 17.459 -7.626 1.00 0.00 O ATOM 1214 NE2 GLN A 76 22.000 19.332 -6.515 1.00 0.00 N ATOM 0 H GLN A 76 20.273 15.939 -2.404 1.00 0.00 H new ATOM 0 HA GLN A 76 18.545 18.041 -3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 76 21.062 17.888 -3.998 1.00 0.00 H new ATOM 0 HB3 GLN A 76 20.748 16.388 -4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 76 19.214 17.629 -6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 76 19.631 19.121 -5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 76 21.762 19.991 -5.774 1.00 0.00 H new ATOM 0 HE22 GLN A 76 22.835 19.481 -7.081 1.00 0.00 H new ATOM 1223 N ALA A 77 17.312 15.460 -3.484 1.00 0.00 N ATOM 1224 CA ALA A 77 16.415 14.378 -3.902 1.00 0.00 C ATOM 1225 C ALA A 77 15.199 14.897 -4.672 1.00 0.00 C ATOM 1226 O ALA A 77 14.276 14.143 -4.964 1.00 0.00 O ATOM 1227 CB ALA A 77 15.962 13.599 -2.674 1.00 0.00 C ATOM 0 H ALA A 77 17.236 15.700 -2.496 1.00 0.00 H new ATOM 0 HA ALA A 77 16.968 13.727 -4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.295 12.793 -2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.831 13.178 -2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.435 14.267 -1.993 1.00 0.00 H new ATOM 1233 N LEU A 78 15.214 16.193 -4.979 1.00 0.00 N ATOM 1234 CA LEU A 78 14.107 16.895 -5.647 1.00 0.00 C ATOM 1235 C LEU A 78 12.953 17.109 -4.668 1.00 0.00 C ATOM 1236 O LEU A 78 12.374 18.196 -4.600 1.00 0.00 O ATOM 1237 CB LEU A 78 13.615 16.158 -6.914 1.00 0.00 C ATOM 1238 CG LEU A 78 14.545 16.235 -8.147 1.00 0.00 C ATOM 1239 CD1 LEU A 78 15.863 15.505 -7.904 1.00 0.00 C ATOM 1240 CD2 LEU A 78 13.842 15.676 -9.386 1.00 0.00 C ATOM 0 H LEU A 78 16.007 16.800 -4.769 1.00 0.00 H new ATOM 0 HA LEU A 78 14.488 17.862 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 78 13.463 15.108 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 78 12.642 16.564 -7.192 1.00 0.00 H new ATOM 0 HG LEU A 78 14.777 17.286 -8.320 1.00 0.00 H new ATOM 0 HD11 LEU A 78 16.490 15.581 -8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 78 16.378 15.957 -7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 78 15.663 14.455 -7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.512 15.739 -10.244 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.571 14.635 -9.212 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.941 16.256 -9.586 1.00 0.00 H new ATOM 1252 N SER A 79 12.656 16.069 -3.906 1.00 0.00 N ATOM 1253 CA SER A 79 11.606 16.089 -2.895 1.00 0.00 C ATOM 1254 C SER A 79 11.866 14.972 -1.874 1.00 0.00 C ATOM 1255 O SER A 79 11.283 13.891 -1.963 1.00 0.00 O ATOM 1256 CB SER A 79 10.221 15.909 -3.541 1.00 0.00 C ATOM 1257 OG SER A 79 9.994 16.862 -4.567 1.00 0.00 O ATOM 0 H SER A 79 13.142 15.175 -3.971 1.00 0.00 H new ATOM 0 HA SER A 79 11.618 17.055 -2.390 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.140 14.903 -3.954 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.448 16.004 -2.778 1.00 0.00 H new ATOM 0 HG SER A 79 9.168 17.355 -4.379 1.00 0.00 H new ATOM 1263 N PRO A 80 12.788 15.208 -0.917 1.00 0.00 N ATOM 1264 CA PRO A 80 13.171 14.201 0.087 1.00 0.00 C ATOM 1265 C PRO A 80 11.991 13.758 0.959 1.00 0.00 C ATOM 1266 O PRO A 80 11.097 14.552 1.268 1.00 0.00 O ATOM 1267 CB PRO A 80 14.237 14.917 0.936 1.00 0.00 C ATOM 1268 CG PRO A 80 14.720 16.043 0.084 1.00 0.00 C ATOM 1269 CD PRO A 80 13.535 16.468 -0.740 1.00 0.00 C ATOM 0 HA PRO A 80 13.531 13.284 -0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 80 13.815 15.284 1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 80 15.052 14.242 1.197 1.00 0.00 H new ATOM 0 HG2 PRO A 80 15.087 16.867 0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 80 15.546 15.726 -0.553 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.938 17.223 -0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 80 13.840 16.895 -1.696 1.00 0.00 H new ATOM 1277 N VAL A 81 11.996 12.487 1.353 1.00 0.00 N ATOM 1278 CA VAL A 81 10.949 11.937 2.210 1.00 0.00 C ATOM 1279 C VAL A 81 11.286 12.166 3.688 1.00 0.00 C ATOM 1280 O VAL A 81 12.421 11.949 4.117 1.00 0.00 O ATOM 1281 CB VAL A 81 10.727 10.423 1.943 1.00 0.00 C ATOM 1282 CG1 VAL A 81 10.211 10.199 0.522 1.00 0.00 C ATOM 1283 CG2 VAL A 81 12.011 9.628 2.187 1.00 0.00 C ATOM 0 H VAL A 81 12.718 11.816 1.091 1.00 0.00 H new ATOM 0 HA VAL A 81 10.023 12.460 1.970 1.00 0.00 H new ATOM 0 HB VAL A 81 9.973 10.062 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.061 9.133 0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.264 10.723 0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.939 10.581 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.827 8.571 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.794 9.989 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.328 9.757 3.222 1.00 0.00 H new ATOM 1293 N ASN A 82 10.296 12.619 4.458 1.00 0.00 N ATOM 1294 CA ASN A 82 10.498 12.924 5.877 1.00 0.00 C ATOM 1295 C ASN A 82 10.434 11.653 6.721 1.00 0.00 C ATOM 1296 O ASN A 82 9.358 11.225 7.141 1.00 0.00 O ATOM 1297 CB ASN A 82 9.457 13.939 6.374 1.00 0.00 C ATOM 1298 CG ASN A 82 9.581 15.298 5.704 1.00 0.00 C ATOM 1299 OD1 ASN A 82 10.666 15.710 5.292 1.00 0.00 O ATOM 1300 ND2 ASN A 82 8.469 16.009 5.593 1.00 0.00 N ATOM 0 H ASN A 82 9.346 12.783 4.124 1.00 0.00 H new ATOM 0 HA ASN A 82 11.490 13.363 5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.458 13.542 6.195 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.563 14.061 7.452 1.00 0.00 H new ATOM 0 HD21 ASN A 82 8.494 16.930 5.155 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.588 15.636 5.946 1.00 0.00 H new ATOM 1307 N ILE A 83 11.594 11.040 6.931 1.00 0.00 N ATOM 1308 CA ILE A 83 11.719 9.842 7.764 1.00 0.00 C ATOM 1309 C ILE A 83 12.922 9.997 8.692 1.00 0.00 C ATOM 1310 O ILE A 83 13.574 11.046 8.685 1.00 0.00 O ATOM 1311 CB ILE A 83 11.887 8.564 6.897 1.00 0.00 C ATOM 1312 CG1 ILE A 83 13.146 8.680 6.016 1.00 0.00 C ATOM 1313 CG2 ILE A 83 10.646 8.330 6.039 1.00 0.00 C ATOM 1314 CD1 ILE A 83 13.373 7.495 5.103 1.00 0.00 C ATOM 0 H ILE A 83 12.476 11.357 6.530 1.00 0.00 H new ATOM 0 HA ILE A 83 10.806 9.733 8.349 1.00 0.00 H new ATOM 0 HB ILE A 83 12.007 7.707 7.560 1.00 0.00 H new ATOM 0 HG12 ILE A 83 13.070 9.583 5.410 1.00 0.00 H new ATOM 0 HG13 ILE A 83 14.017 8.801 6.660 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.783 7.430 5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.776 8.207 6.684 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.492 9.185 5.381 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.278 7.655 4.517 1.00 0.00 H new ATOM 0 HD12 ILE A 83 13.483 6.591 5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.521 7.385 4.432 1.00 0.00 H new ATOM 1326 N ASP A 84 13.222 8.967 9.482 1.00 0.00 N ATOM 1327 CA ASP A 84 14.364 9.011 10.395 1.00 0.00 C ATOM 1328 C ASP A 84 15.677 9.017 9.612 1.00 0.00 C ATOM 1329 O ASP A 84 16.253 7.975 9.301 1.00 0.00 O ATOM 1330 CB ASP A 84 14.319 7.854 11.414 1.00 0.00 C ATOM 1331 CG ASP A 84 14.271 6.468 10.785 1.00 0.00 C ATOM 1332 OD1 ASP A 84 13.281 6.165 10.079 1.00 0.00 O ATOM 1333 OD2 ASP A 84 15.199 5.666 11.028 1.00 0.00 O ATOM 0 H ASP A 84 12.693 8.095 9.509 1.00 0.00 H new ATOM 0 HA ASP A 84 14.305 9.939 10.964 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.196 7.918 12.058 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.445 7.981 12.052 1.00 0.00 H new ATOM 1338 N ARG A 85 16.114 10.219 9.260 1.00 0.00 N ATOM 1339 CA ARG A 85 17.339 10.421 8.497 1.00 0.00 C ATOM 1340 C ARG A 85 18.491 10.820 9.417 1.00 0.00 C ATOM 1341 O ARG A 85 19.629 10.969 8.972 1.00 0.00 O ATOM 1342 CB ARG A 85 17.110 11.495 7.421 1.00 0.00 C ATOM 1343 CG ARG A 85 16.144 11.062 6.318 1.00 0.00 C ATOM 1344 CD ARG A 85 15.755 12.219 5.399 1.00 0.00 C ATOM 1345 NE ARG A 85 14.914 13.206 6.086 1.00 0.00 N ATOM 1346 CZ ARG A 85 14.257 14.197 5.476 1.00 0.00 C ATOM 1347 NH1 ARG A 85 14.364 14.370 4.165 1.00 0.00 N ATOM 1348 NH2 ARG A 85 13.490 15.014 6.186 1.00 0.00 N ATOM 0 H ARG A 85 15.628 11.084 9.496 1.00 0.00 H new ATOM 0 HA ARG A 85 17.608 9.483 8.010 1.00 0.00 H new ATOM 0 HB2 ARG A 85 16.724 12.397 7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.068 11.756 6.971 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.603 10.270 5.726 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.245 10.642 6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.657 12.706 5.028 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.222 11.830 4.531 1.00 0.00 H new ATOM 0 HE ARG A 85 14.825 13.130 7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.951 13.744 3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.859 15.129 3.708 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.403 14.885 7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.987 15.772 5.724 1.00 0.00 H new ATOM 1362 N GLN A 86 18.187 10.997 10.703 1.00 0.00 N ATOM 1363 CA GLN A 86 19.201 11.361 11.693 1.00 0.00 C ATOM 1364 C GLN A 86 20.150 10.187 11.942 1.00 0.00 C ATOM 1365 O GLN A 86 21.344 10.263 11.647 1.00 0.00 O ATOM 1366 CB GLN A 86 18.542 11.789 13.012 1.00 0.00 C ATOM 1367 CG GLN A 86 17.595 12.975 12.876 1.00 0.00 C ATOM 1368 CD GLN A 86 16.934 13.353 14.193 1.00 0.00 C ATOM 1369 OE1 GLN A 86 17.454 14.170 14.951 1.00 0.00 O ATOM 1370 NE2 GLN A 86 15.789 12.750 14.481 1.00 0.00 N ATOM 0 H GLN A 86 17.246 10.894 11.084 1.00 0.00 H new ATOM 0 HA GLN A 86 19.773 12.201 11.300 1.00 0.00 H new ATOM 0 HB2 GLN A 86 17.991 10.943 13.422 1.00 0.00 H new ATOM 0 HB3 GLN A 86 19.322 12.041 13.731 1.00 0.00 H new ATOM 0 HG2 GLN A 86 18.147 13.833 12.492 1.00 0.00 H new ATOM 0 HG3 GLN A 86 16.824 12.737 12.143 1.00 0.00 H new ATOM 0 HE21 GLN A 86 15.388 12.078 13.827 1.00 0.00 H new ATOM 0 HE22 GLN A 86 15.309 12.958 15.356 1.00 0.00 H new ATOM 1379 N ALA A 87 19.597 9.098 12.465 1.00 0.00 N ATOM 1380 CA ALA A 87 20.371 7.901 12.788 1.00 0.00 C ATOM 1381 C ALA A 87 20.241 6.859 11.681 1.00 0.00 C ATOM 1382 O ALA A 87 20.314 5.653 11.934 1.00 0.00 O ATOM 1383 CB ALA A 87 19.893 7.326 14.115 1.00 0.00 C ATOM 0 H ALA A 87 18.602 9.018 12.677 1.00 0.00 H new ATOM 0 HA ALA A 87 21.423 8.174 12.873 1.00 0.00 H new ATOM 0 HB1 ALA A 87 20.471 6.434 14.354 1.00 0.00 H new ATOM 0 HB2 ALA A 87 20.028 8.068 14.902 1.00 0.00 H new ATOM 0 HB3 ALA A 87 18.837 7.065 14.039 1.00 0.00 H new ATOM 1389 N TRP A 88 20.074 7.335 10.452 1.00 0.00 N ATOM 1390 CA TRP A 88 19.866 6.461 9.300 1.00 0.00 C ATOM 1391 C TRP A 88 21.096 5.574 9.056 1.00 0.00 C ATOM 1392 O TRP A 88 22.155 5.793 9.653 1.00 0.00 O ATOM 1393 CB TRP A 88 19.548 7.309 8.057 1.00 0.00 C ATOM 1394 CG TRP A 88 19.005 6.508 6.911 1.00 0.00 C ATOM 1395 CD1 TRP A 88 17.784 5.901 6.853 1.00 0.00 C ATOM 1396 CD2 TRP A 88 19.655 6.228 5.665 1.00 0.00 C ATOM 1397 NE1 TRP A 88 17.642 5.247 5.655 1.00 0.00 N ATOM 1398 CE2 TRP A 88 18.774 5.437 4.908 1.00 0.00 C ATOM 1399 CE3 TRP A 88 20.896 6.565 5.116 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 19.093 4.978 3.638 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 21.211 6.107 3.850 1.00 0.00 C ATOM 1402 CH2 TRP A 88 20.311 5.321 3.124 1.00 0.00 C ATOM 0 H TRP A 88 20.079 8.330 10.226 1.00 0.00 H new ATOM 0 HA TRP A 88 19.021 5.804 9.505 1.00 0.00 H new ATOM 0 HB2 TRP A 88 18.825 8.079 8.327 1.00 0.00 H new ATOM 0 HB3 TRP A 88 20.454 7.822 7.735 1.00 0.00 H new ATOM 0 HD1 TRP A 88 17.039 5.931 7.635 1.00 0.00 H new ATOM 0 HE1 TRP A 88 16.826 4.707 5.368 1.00 0.00 H new ATOM 0 HE3 TRP A 88 21.596 7.172 5.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 18.401 4.370 3.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 22.167 6.360 3.415 1.00 0.00 H new ATOM 0 HH2 TRP A 88 20.584 4.978 2.137 1.00 0.00 H new ATOM 1413 N LEU A 89 20.954 4.588 8.167 1.00 0.00 N ATOM 1414 CA LEU A 89 22.007 3.606 7.907 1.00 0.00 C ATOM 1415 C LEU A 89 23.306 4.304 7.507 1.00 0.00 C ATOM 1416 O LEU A 89 24.287 4.298 8.261 1.00 0.00 O ATOM 1417 CB LEU A 89 21.572 2.619 6.805 1.00 0.00 C ATOM 1418 CG LEU A 89 20.456 1.621 7.182 1.00 0.00 C ATOM 1419 CD1 LEU A 89 19.131 2.334 7.454 1.00 0.00 C ATOM 1420 CD2 LEU A 89 20.288 0.571 6.084 1.00 0.00 C ATOM 0 H LEU A 89 20.111 4.449 7.610 1.00 0.00 H new ATOM 0 HA LEU A 89 22.181 3.045 8.825 1.00 0.00 H new ATOM 0 HB2 LEU A 89 21.238 3.195 5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 89 22.447 2.051 6.490 1.00 0.00 H new ATOM 0 HG LEU A 89 20.754 1.121 8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 89 18.370 1.599 7.716 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.258 3.035 8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.820 2.876 6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 89 19.498 -0.125 6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 89 20.023 1.063 5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 89 21.223 0.026 5.956 1.00 0.00 H new ATOM 1432 N GLY A 90 23.300 4.914 6.327 1.00 0.00 N ATOM 1433 CA GLY A 90 24.447 5.679 5.867 1.00 0.00 C ATOM 1434 C GLY A 90 24.907 5.277 4.479 1.00 0.00 C ATOM 1435 O GLY A 90 24.185 4.606 3.743 1.00 0.00 O ATOM 0 H GLY A 90 22.515 4.892 5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 90 24.194 6.739 5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 90 25.270 5.548 6.569 1.00 0.00 H new ATOM 1439 N GLU A 91 26.119 5.699 4.135 1.00 0.00 N ATOM 1440 CA GLU A 91 26.722 5.430 2.829 1.00 0.00 C ATOM 1441 C GLU A 91 27.055 3.943 2.657 1.00 0.00 C ATOM 1442 O GLU A 91 27.306 3.478 1.542 1.00 0.00 O ATOM 1443 CB GLU A 91 28.001 6.269 2.681 1.00 0.00 C ATOM 1444 CG GLU A 91 27.777 7.774 2.839 1.00 0.00 C ATOM 1445 CD GLU A 91 29.057 8.526 3.179 1.00 0.00 C ATOM 1446 OE1 GLU A 91 29.424 8.568 4.374 1.00 0.00 O ATOM 1447 OE2 GLU A 91 29.708 9.074 2.263 1.00 0.00 O ATOM 0 H GLU A 91 26.717 6.242 4.758 1.00 0.00 H new ATOM 0 HA GLU A 91 26.002 5.701 2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 91 28.728 5.940 3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.438 6.078 1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 91 27.360 8.174 1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 91 27.040 7.947 3.623 1.00 0.00 H new ATOM 1454 N GLU A 92 27.034 3.195 3.758 1.00 0.00 N ATOM 1455 CA GLU A 92 27.467 1.803 3.745 1.00 0.00 C ATOM 1456 C GLU A 92 26.475 0.925 2.986 1.00 0.00 C ATOM 1457 O GLU A 92 26.837 -0.142 2.491 1.00 0.00 O ATOM 1458 CB GLU A 92 27.707 1.285 5.180 1.00 0.00 C ATOM 1459 CG GLU A 92 26.645 1.688 6.205 1.00 0.00 C ATOM 1460 CD GLU A 92 25.284 1.059 5.954 1.00 0.00 C ATOM 1461 OE1 GLU A 92 25.117 -0.143 6.249 1.00 0.00 O ATOM 1462 OE2 GLU A 92 24.382 1.764 5.470 1.00 0.00 O ATOM 0 H GLU A 92 26.722 3.531 4.669 1.00 0.00 H new ATOM 0 HA GLU A 92 28.418 1.750 3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 92 27.766 0.197 5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 92 28.676 1.648 5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 92 26.988 1.406 7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 92 26.541 2.773 6.200 1.00 0.00 H new ATOM 1469 N VAL A 93 25.231 1.384 2.874 1.00 0.00 N ATOM 1470 CA VAL A 93 24.221 0.649 2.125 1.00 0.00 C ATOM 1471 C VAL A 93 24.485 0.762 0.620 1.00 0.00 C ATOM 1472 O VAL A 93 23.995 -0.043 -0.172 1.00 0.00 O ATOM 1473 CB VAL A 93 22.778 1.117 2.462 1.00 0.00 C ATOM 1474 CG1 VAL A 93 22.534 2.550 2.000 1.00 0.00 C ATOM 1475 CG2 VAL A 93 21.743 0.160 1.866 1.00 0.00 C ATOM 0 H VAL A 93 24.902 2.255 3.290 1.00 0.00 H new ATOM 0 HA VAL A 93 24.296 -0.397 2.424 1.00 0.00 H new ATOM 0 HB VAL A 93 22.668 1.101 3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 93 21.515 2.845 2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 93 23.238 3.217 2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 93 22.674 2.613 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 93 20.740 0.508 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 93 21.858 0.129 0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 93 21.893 -0.839 2.276 1.00 0.00 H new ATOM 1485 N LEU A 94 25.279 1.764 0.235 1.00 0.00 N ATOM 1486 CA LEU A 94 25.726 1.901 -1.149 1.00 0.00 C ATOM 1487 C LEU A 94 26.978 1.051 -1.366 1.00 0.00 C ATOM 1488 O LEU A 94 27.151 0.431 -2.418 1.00 0.00 O ATOM 1489 CB LEU A 94 26.027 3.372 -1.507 1.00 0.00 C ATOM 1490 CG LEU A 94 24.820 4.331 -1.545 1.00 0.00 C ATOM 1491 CD1 LEU A 94 23.690 3.759 -2.397 1.00 0.00 C ATOM 1492 CD2 LEU A 94 24.333 4.663 -0.137 1.00 0.00 C ATOM 0 H LEU A 94 25.624 2.490 0.863 1.00 0.00 H new ATOM 0 HA LEU A 94 24.922 1.557 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 94 26.747 3.758 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 94 26.511 3.393 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 94 25.150 5.260 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 94 22.852 4.456 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 94 24.045 3.605 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 94 23.365 2.807 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 94 23.482 5.341 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 94 24.032 3.746 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 94 25.137 5.140 0.423 1.00 0.00 H new ATOM 1504 N ALA A 95 27.844 1.029 -0.352 1.00 0.00 N ATOM 1505 CA ALA A 95 29.089 0.263 -0.403 1.00 0.00 C ATOM 1506 C ALA A 95 28.805 -1.239 -0.439 1.00 0.00 C ATOM 1507 O ALA A 95 29.512 -2.001 -1.101 1.00 0.00 O ATOM 1508 CB ALA A 95 29.972 0.614 0.793 1.00 0.00 C ATOM 0 H ALA A 95 27.704 1.537 0.521 1.00 0.00 H new ATOM 0 HA ALA A 95 29.618 0.527 -1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.896 0.038 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 95 30.206 1.678 0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 95 29.444 0.377 1.717 1.00 0.00 H new ATOM 1514 N GLU A 96 27.767 -1.652 0.279 1.00 0.00 N ATOM 1515 CA GLU A 96 27.345 -3.049 0.309 1.00 0.00 C ATOM 1516 C GLU A 96 25.816 -3.138 0.308 1.00 0.00 C ATOM 1517 O GLU A 96 25.180 -3.196 1.365 1.00 0.00 O ATOM 1518 CB GLU A 96 27.944 -3.771 1.532 1.00 0.00 C ATOM 1519 CG GLU A 96 27.709 -3.054 2.859 1.00 0.00 C ATOM 1520 CD GLU A 96 28.321 -3.790 4.038 1.00 0.00 C ATOM 1521 OE1 GLU A 96 29.524 -3.592 4.311 1.00 0.00 O ATOM 1522 OE2 GLU A 96 27.609 -4.580 4.693 1.00 0.00 O ATOM 0 H GLU A 96 27.196 -1.032 0.854 1.00 0.00 H new ATOM 0 HA GLU A 96 27.717 -3.548 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 96 27.519 -4.773 1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 96 29.017 -3.889 1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 96 28.130 -2.050 2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 96 26.637 -2.942 3.022 1.00 0.00 H new ATOM 1529 N PRO A 97 25.197 -3.112 -0.886 1.00 0.00 N ATOM 1530 CA PRO A 97 23.742 -3.177 -1.013 1.00 0.00 C ATOM 1531 C PRO A 97 23.206 -4.576 -0.718 1.00 0.00 C ATOM 1532 O PRO A 97 23.842 -5.581 -1.040 1.00 0.00 O ATOM 1533 CB PRO A 97 23.491 -2.792 -2.474 1.00 0.00 C ATOM 1534 CG PRO A 97 24.732 -3.214 -3.188 1.00 0.00 C ATOM 1535 CD PRO A 97 25.863 -3.024 -2.205 1.00 0.00 C ATOM 0 HA PRO A 97 23.236 -2.523 -0.303 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.612 -3.298 -2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 97 23.317 -1.721 -2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 97 24.664 -4.254 -3.508 1.00 0.00 H new ATOM 0 HG3 PRO A 97 24.889 -2.614 -4.085 1.00 0.00 H new ATOM 0 HD2 PRO A 97 26.627 -3.792 -2.320 1.00 0.00 H new ATOM 0 HD3 PRO A 97 26.356 -2.061 -2.342 1.00 0.00 H new ATOM 1543 N ARG A 98 22.033 -4.628 -0.101 1.00 0.00 N ATOM 1544 CA ARG A 98 21.384 -5.887 0.240 1.00 0.00 C ATOM 1545 C ARG A 98 19.876 -5.762 0.029 1.00 0.00 C ATOM 1546 O ARG A 98 19.316 -4.684 0.226 1.00 0.00 O ATOM 1547 CB ARG A 98 21.705 -6.308 1.693 1.00 0.00 C ATOM 1548 CG ARG A 98 21.419 -5.251 2.767 1.00 0.00 C ATOM 1549 CD ARG A 98 22.502 -4.175 2.830 1.00 0.00 C ATOM 1550 NE ARG A 98 22.298 -3.251 3.950 1.00 0.00 N ATOM 1551 CZ ARG A 98 23.191 -2.338 4.350 1.00 0.00 C ATOM 1552 NH1 ARG A 98 24.351 -2.200 3.715 1.00 0.00 N ATOM 1553 NH2 ARG A 98 22.917 -1.560 5.387 1.00 0.00 N ATOM 0 H ARG A 98 21.505 -3.800 0.177 1.00 0.00 H new ATOM 0 HA ARG A 98 21.770 -6.667 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 98 21.130 -7.204 1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 98 22.759 -6.581 1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 98 20.456 -4.782 2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 98 21.337 -5.738 3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 98 23.479 -4.650 2.926 1.00 0.00 H new ATOM 0 HD3 ARG A 98 22.510 -3.614 1.895 1.00 0.00 H new ATOM 0 HE ARG A 98 21.416 -3.308 4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 98 24.568 -2.793 2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 98 25.024 -1.501 4.029 1.00 0.00 H new ATOM 0 HH21 ARG A 98 22.028 -1.658 5.877 1.00 0.00 H new ATOM 0 HH22 ARG A 98 23.595 -0.863 5.695 1.00 0.00 H new ATOM 1567 N PRO A 99 19.205 -6.861 -0.380 1.00 0.00 N ATOM 1568 CA PRO A 99 17.766 -6.849 -0.714 1.00 0.00 C ATOM 1569 C PRO A 99 16.876 -6.425 0.459 1.00 0.00 C ATOM 1570 O PRO A 99 15.694 -6.137 0.277 1.00 0.00 O ATOM 1571 CB PRO A 99 17.476 -8.304 -1.127 1.00 0.00 C ATOM 1572 CG PRO A 99 18.587 -9.103 -0.535 1.00 0.00 C ATOM 1573 CD PRO A 99 19.791 -8.204 -0.553 1.00 0.00 C ATOM 0 HA PRO A 99 17.545 -6.120 -1.494 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.508 -8.635 -0.751 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.449 -8.408 -2.212 1.00 0.00 H new ATOM 0 HG2 PRO A 99 18.346 -9.414 0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 99 18.767 -10.010 -1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.488 -8.447 0.249 1.00 0.00 H new ATOM 0 HD3 PRO A 99 20.342 -8.286 -1.490 1.00 0.00 H new ATOM 1581 N ASP A 100 17.450 -6.385 1.657 1.00 0.00 N ATOM 1582 CA ASP A 100 16.720 -5.960 2.852 1.00 0.00 C ATOM 1583 C ASP A 100 17.540 -4.925 3.613 1.00 0.00 C ATOM 1584 O ASP A 100 18.517 -5.266 4.286 1.00 0.00 O ATOM 1585 CB ASP A 100 16.403 -7.160 3.755 1.00 0.00 C ATOM 1586 CG ASP A 100 15.533 -6.782 4.949 1.00 0.00 C ATOM 1587 OD1 ASP A 100 14.327 -6.528 4.752 1.00 0.00 O ATOM 1588 OD2 ASP A 100 16.045 -6.742 6.091 1.00 0.00 O ATOM 0 H ASP A 100 18.422 -6.642 1.829 1.00 0.00 H new ATOM 0 HA ASP A 100 15.775 -5.513 2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 100 15.896 -7.927 3.169 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.335 -7.597 4.113 1.00 0.00 H new ATOM 1593 N MET A 101 17.157 -3.656 3.482 1.00 0.00 N ATOM 1594 CA MET A 101 17.916 -2.558 4.074 1.00 0.00 C ATOM 1595 C MET A 101 17.013 -1.425 4.580 1.00 0.00 C ATOM 1596 O MET A 101 17.175 -0.959 5.710 1.00 0.00 O ATOM 1597 CB MET A 101 18.960 -2.020 3.069 1.00 0.00 C ATOM 1598 CG MET A 101 18.502 -1.996 1.610 1.00 0.00 C ATOM 1599 SD MET A 101 16.971 -1.086 1.359 1.00 0.00 S ATOM 1600 CE MET A 101 16.876 -1.024 -0.422 1.00 0.00 C ATOM 0 H MET A 101 16.324 -3.364 2.970 1.00 0.00 H new ATOM 0 HA MET A 101 18.435 -2.959 4.945 1.00 0.00 H new ATOM 0 HB2 MET A 101 19.237 -1.008 3.363 1.00 0.00 H new ATOM 0 HB3 MET A 101 19.860 -2.631 3.141 1.00 0.00 H new ATOM 0 HG2 MET A 101 19.286 -1.550 0.998 1.00 0.00 H new ATOM 0 HG3 MET A 101 18.369 -3.020 1.261 1.00 0.00 H new ATOM 0 HE1 MET A 101 16.727 0.007 -0.743 1.00 0.00 H new ATOM 0 HE2 MET A 101 17.803 -1.407 -0.849 1.00 0.00 H new ATOM 0 HE3 MET A 101 16.040 -1.634 -0.763 1.00 0.00 H new ATOM 1610 N PHE A 102 16.057 -0.988 3.765 1.00 0.00 N ATOM 1611 CA PHE A 102 15.234 0.176 4.104 1.00 0.00 C ATOM 1612 C PHE A 102 13.866 -0.252 4.624 1.00 0.00 C ATOM 1613 O PHE A 102 13.012 0.593 4.873 1.00 0.00 O ATOM 1614 CB PHE A 102 15.054 1.115 2.893 1.00 0.00 C ATOM 1615 CG PHE A 102 16.342 1.612 2.274 1.00 0.00 C ATOM 1616 CD1 PHE A 102 17.541 1.577 2.974 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.349 2.102 0.973 1.00 0.00 C ATOM 1618 CE1 PHE A 102 18.714 2.014 2.389 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.520 2.544 0.388 1.00 0.00 C ATOM 1620 CZ PHE A 102 18.703 2.499 1.095 1.00 0.00 C ATOM 0 H PHE A 102 15.831 -1.418 2.868 1.00 0.00 H new ATOM 0 HA PHE A 102 15.760 0.719 4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.479 0.592 2.129 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.462 1.976 3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 102 17.557 1.204 3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.427 2.138 0.412 1.00 0.00 H new ATOM 0 HE1 PHE A 102 19.640 1.977 2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.509 2.925 -0.623 1.00 0.00 H new ATOM 0 HZ PHE A 102 19.619 2.842 0.638 1.00 0.00 H new ATOM 1630 N ARG A 103 13.687 -1.561 4.793 1.00 0.00 N ATOM 1631 CA ARG A 103 12.432 -2.155 5.282 1.00 0.00 C ATOM 1632 C ARG A 103 11.767 -1.312 6.376 1.00 0.00 C ATOM 1633 O ARG A 103 10.555 -1.089 6.343 1.00 0.00 O ATOM 1634 CB ARG A 103 12.722 -3.575 5.797 1.00 0.00 C ATOM 1635 CG ARG A 103 11.676 -4.135 6.760 1.00 0.00 C ATOM 1636 CD ARG A 103 12.027 -5.553 7.202 1.00 0.00 C ATOM 1637 NE ARG A 103 13.470 -5.718 7.404 1.00 0.00 N ATOM 1638 CZ ARG A 103 14.128 -5.400 8.521 1.00 0.00 C ATOM 1639 NH1 ARG A 103 13.483 -4.893 9.567 1.00 0.00 N ATOM 1640 NH2 ARG A 103 15.439 -5.585 8.578 1.00 0.00 N ATOM 0 H ARG A 103 14.412 -2.250 4.594 1.00 0.00 H new ATOM 0 HA ARG A 103 11.728 -2.190 4.451 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.804 -4.246 4.942 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.691 -3.574 6.296 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.601 -3.488 7.634 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.698 -4.134 6.278 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.501 -5.786 8.128 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.681 -6.264 6.452 1.00 0.00 H new ATOM 0 HE ARG A 103 14.012 -6.105 6.632 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.475 -4.743 9.521 1.00 0.00 H new ATOM 0 HH12 ARG A 103 13.996 -4.654 10.415 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.936 -5.967 7.773 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.951 -5.345 9.427 1.00 0.00 H new ATOM 1654 N ALA A 104 12.563 -0.841 7.332 1.00 0.00 N ATOM 1655 CA ALA A 104 12.048 -0.031 8.435 1.00 0.00 C ATOM 1656 C ALA A 104 11.414 1.264 7.917 1.00 0.00 C ATOM 1657 O ALA A 104 10.260 1.574 8.223 1.00 0.00 O ATOM 1658 CB ALA A 104 13.165 0.278 9.426 1.00 0.00 C ATOM 0 H ALA A 104 13.569 -1.006 7.366 1.00 0.00 H new ATOM 0 HA ALA A 104 11.273 -0.602 8.946 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.770 0.882 10.243 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.566 -0.654 9.824 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.959 0.828 8.920 1.00 0.00 H new ATOM 1664 N GLN A 105 12.170 2.000 7.107 1.00 0.00 N ATOM 1665 CA GLN A 105 11.718 3.289 6.585 1.00 0.00 C ATOM 1666 C GLN A 105 10.601 3.096 5.555 1.00 0.00 C ATOM 1667 O GLN A 105 9.715 3.937 5.415 1.00 0.00 O ATOM 1668 CB GLN A 105 12.888 4.066 5.960 1.00 0.00 C ATOM 1669 CG GLN A 105 14.020 4.399 6.938 1.00 0.00 C ATOM 1670 CD GLN A 105 14.896 3.205 7.291 1.00 0.00 C ATOM 1671 OE1 GLN A 105 15.424 3.108 8.394 1.00 0.00 O ATOM 1672 NE2 GLN A 105 15.074 2.292 6.348 1.00 0.00 N ATOM 0 H GLN A 105 13.102 1.726 6.796 1.00 0.00 H new ATOM 0 HA GLN A 105 11.324 3.869 7.419 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.297 3.482 5.135 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.506 4.994 5.535 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.644 5.181 6.505 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.590 4.806 7.853 1.00 0.00 H new ATOM 0 HE21 GLN A 105 14.621 2.401 5.441 1.00 0.00 H new ATOM 0 HE22 GLN A 105 15.664 1.480 6.529 1.00 0.00 H new ATOM 1681 N GLN A 106 10.651 1.976 4.847 1.00 0.00 N ATOM 1682 CA GLN A 106 9.634 1.631 3.859 1.00 0.00 C ATOM 1683 C GLN A 106 8.296 1.401 4.558 1.00 0.00 C ATOM 1684 O GLN A 106 7.263 1.951 4.163 1.00 0.00 O ATOM 1685 CB GLN A 106 10.093 0.387 3.070 1.00 0.00 C ATOM 1686 CG GLN A 106 9.058 -0.211 2.113 1.00 0.00 C ATOM 1687 CD GLN A 106 8.154 -1.240 2.774 1.00 0.00 C ATOM 1688 OE1 GLN A 106 8.541 -1.893 3.740 1.00 0.00 O ATOM 1689 NE2 GLN A 106 6.955 -1.408 2.247 1.00 0.00 N ATOM 0 H GLN A 106 11.393 1.283 4.939 1.00 0.00 H new ATOM 0 HA GLN A 106 9.500 2.449 3.151 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.982 0.651 2.496 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.390 -0.383 3.782 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.445 0.592 1.704 1.00 0.00 H new ATOM 0 HG3 GLN A 106 9.575 -0.677 1.274 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.667 -0.848 1.445 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.316 -2.098 2.642 1.00 0.00 H new ATOM 1698 N LEU A 107 8.332 0.611 5.622 1.00 0.00 N ATOM 1699 CA LEU A 107 7.143 0.348 6.416 1.00 0.00 C ATOM 1700 C LEU A 107 6.698 1.627 7.124 1.00 0.00 C ATOM 1701 O LEU A 107 5.514 1.800 7.426 1.00 0.00 O ATOM 1702 CB LEU A 107 7.411 -0.763 7.440 1.00 0.00 C ATOM 1703 CG LEU A 107 6.164 -1.286 8.174 1.00 0.00 C ATOM 1704 CD1 LEU A 107 5.211 -1.982 7.204 1.00 0.00 C ATOM 1705 CD2 LEU A 107 6.559 -2.223 9.315 1.00 0.00 C ATOM 0 H LEU A 107 9.174 0.141 5.955 1.00 0.00 H new ATOM 0 HA LEU A 107 6.346 0.014 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.891 -1.598 6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.120 -0.391 8.180 1.00 0.00 H new ATOM 0 HG LEU A 107 5.642 -0.431 8.603 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.338 -2.343 7.748 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.894 -1.276 6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.720 -2.824 6.735 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.661 -2.580 9.820 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.112 -3.072 8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.186 -1.686 10.027 1.00 0.00 H new ATOM 1717 N GLN A 108 7.658 2.522 7.381 1.00 0.00 N ATOM 1718 CA GLN A 108 7.367 3.811 8.006 1.00 0.00 C ATOM 1719 C GLN A 108 6.357 4.586 7.164 1.00 0.00 C ATOM 1720 O GLN A 108 5.370 5.103 7.691 1.00 0.00 O ATOM 1721 CB GLN A 108 8.648 4.640 8.195 1.00 0.00 C ATOM 1722 CG GLN A 108 8.431 5.929 8.978 1.00 0.00 C ATOM 1723 CD GLN A 108 7.969 5.671 10.402 1.00 0.00 C ATOM 1724 OE1 GLN A 108 8.787 5.536 11.315 1.00 0.00 O ATOM 1725 NE2 GLN A 108 6.661 5.591 10.598 1.00 0.00 N ATOM 0 H GLN A 108 8.644 2.374 7.164 1.00 0.00 H new ATOM 0 HA GLN A 108 6.941 3.621 8.991 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.391 4.032 8.711 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.060 4.885 7.216 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.360 6.499 8.998 1.00 0.00 H new ATOM 0 HG3 GLN A 108 7.691 6.543 8.464 1.00 0.00 H new ATOM 0 HE21 GLN A 108 6.020 5.709 9.814 1.00 0.00 H new ATOM 0 HE22 GLN A 108 6.295 5.411 11.533 1.00 0.00 H new ATOM 1734 N ILE A 109 6.607 4.651 5.858 1.00 0.00 N ATOM 1735 CA ILE A 109 5.689 5.304 4.923 1.00 0.00 C ATOM 1736 C ILE A 109 4.330 4.610 4.942 1.00 0.00 C ATOM 1737 O ILE A 109 3.284 5.267 4.930 1.00 0.00 O ATOM 1738 CB ILE A 109 6.261 5.323 3.472 1.00 0.00 C ATOM 1739 CG1 ILE A 109 7.250 6.489 3.289 1.00 0.00 C ATOM 1740 CG2 ILE A 109 5.145 5.405 2.428 1.00 0.00 C ATOM 1741 CD1 ILE A 109 8.405 6.488 4.264 1.00 0.00 C ATOM 0 H ILE A 109 7.441 4.258 5.421 1.00 0.00 H new ATOM 0 HA ILE A 109 5.569 6.338 5.248 1.00 0.00 H new ATOM 0 HB ILE A 109 6.794 4.384 3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.647 6.457 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.707 7.429 3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.581 5.416 1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.489 4.540 2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.569 6.317 2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.051 7.343 4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.022 6.554 5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 109 8.976 5.567 4.150 1.00 0.00 H new ATOM 1753 N PHE A 110 4.353 3.279 4.992 1.00 0.00 N ATOM 1754 CA PHE A 110 3.121 2.498 5.016 1.00 0.00 C ATOM 1755 C PHE A 110 2.243 2.916 6.198 1.00 0.00 C ATOM 1756 O PHE A 110 1.109 3.365 6.012 1.00 0.00 O ATOM 1757 CB PHE A 110 3.424 0.991 5.093 1.00 0.00 C ATOM 1758 CG PHE A 110 2.189 0.132 4.953 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.399 -0.174 6.056 1.00 0.00 C ATOM 1760 CD2 PHE A 110 1.804 -0.347 3.711 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.256 -0.936 5.917 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.665 -1.113 3.569 1.00 0.00 C ATOM 1763 CZ PHE A 110 -0.111 -1.406 4.672 1.00 0.00 C ATOM 0 H PHE A 110 5.208 2.723 5.017 1.00 0.00 H new ATOM 0 HA PHE A 110 2.583 2.694 4.089 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.133 0.728 4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.906 0.771 6.045 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.683 0.189 7.033 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.403 -0.118 2.842 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.350 -1.164 6.781 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.381 -1.483 2.595 1.00 0.00 H new ATOM 0 HZ PHE A 110 -1.005 -2.002 4.561 1.00 0.00 H new ATOM 1773 N ASN A 111 2.780 2.788 7.413 1.00 0.00 N ATOM 1774 CA ASN A 111 2.006 3.078 8.624 1.00 0.00 C ATOM 1775 C ASN A 111 1.754 4.577 8.764 1.00 0.00 C ATOM 1776 O ASN A 111 0.885 4.998 9.529 1.00 0.00 O ATOM 1777 CB ASN A 111 2.694 2.534 9.891 1.00 0.00 C ATOM 1778 CG ASN A 111 3.942 3.309 10.292 1.00 0.00 C ATOM 1779 OD1 ASN A 111 3.864 4.325 10.980 1.00 0.00 O ATOM 1780 ND2 ASN A 111 5.102 2.820 9.892 1.00 0.00 N ATOM 0 H ASN A 111 3.740 2.488 7.585 1.00 0.00 H new ATOM 0 HA ASN A 111 1.048 2.568 8.520 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.983 2.555 10.717 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.962 1.490 9.728 1.00 0.00 H new ATOM 0 HD21 ASN A 111 5.970 3.288 10.153 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.130 1.975 9.322 1.00 0.00 H new ATOM 1787 N LEU A 112 2.512 5.379 8.020 1.00 0.00 N ATOM 1788 CA LEU A 112 2.348 6.830 8.032 1.00 0.00 C ATOM 1789 C LEU A 112 0.968 7.193 7.478 1.00 0.00 C ATOM 1790 O LEU A 112 0.125 7.749 8.183 1.00 0.00 O ATOM 1791 CB LEU A 112 3.460 7.500 7.195 1.00 0.00 C ATOM 1792 CG LEU A 112 3.928 8.892 7.666 1.00 0.00 C ATOM 1793 CD1 LEU A 112 2.772 9.890 7.718 1.00 0.00 C ATOM 1794 CD2 LEU A 112 4.625 8.791 9.022 1.00 0.00 C ATOM 0 H LEU A 112 3.249 5.046 7.399 1.00 0.00 H new ATOM 0 HA LEU A 112 2.426 7.193 9.057 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.324 6.836 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.108 7.588 6.167 1.00 0.00 H new ATOM 0 HG LEU A 112 4.645 9.266 6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.142 10.858 8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.336 9.993 6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.012 9.531 8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.949 9.782 9.339 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.932 8.383 9.758 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.492 8.136 8.938 1.00 0.00 H new ATOM 1806 N MET A 113 0.739 6.841 6.214 1.00 0.00 N ATOM 1807 CA MET A 113 -0.519 7.167 5.538 1.00 0.00 C ATOM 1808 C MET A 113 -1.638 6.232 5.989 1.00 0.00 C ATOM 1809 O MET A 113 -2.817 6.562 5.859 1.00 0.00 O ATOM 1810 CB MET A 113 -0.352 7.091 4.016 1.00 0.00 C ATOM 1811 CG MET A 113 0.707 8.042 3.471 1.00 0.00 C ATOM 1812 SD MET A 113 0.332 9.769 3.840 1.00 0.00 S ATOM 1813 CE MET A 113 1.766 10.597 3.160 1.00 0.00 C ATOM 0 H MET A 113 1.407 6.330 5.636 1.00 0.00 H new ATOM 0 HA MET A 113 -0.790 8.187 5.810 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.090 6.070 3.738 1.00 0.00 H new ATOM 0 HB3 MET A 113 -1.308 7.315 3.542 1.00 0.00 H new ATOM 0 HG2 MET A 113 1.677 7.784 3.896 1.00 0.00 H new ATOM 0 HG3 MET A 113 0.788 7.913 2.392 1.00 0.00 H new ATOM 0 HE1 MET A 113 2.050 11.425 3.810 1.00 0.00 H new ATOM 0 HE2 MET A 113 2.594 9.891 3.088 1.00 0.00 H new ATOM 0 HE3 MET A 113 1.529 10.980 2.167 1.00 0.00 H new ATOM 1823 N LYS A 114 -1.251 5.073 6.522 1.00 0.00 N ATOM 1824 CA LYS A 114 -2.196 4.060 7.008 1.00 0.00 C ATOM 1825 C LYS A 114 -3.253 4.671 7.931 1.00 0.00 C ATOM 1826 O LYS A 114 -4.420 4.282 7.899 1.00 0.00 O ATOM 1827 CB LYS A 114 -1.427 2.964 7.760 1.00 0.00 C ATOM 1828 CG LYS A 114 -2.302 1.878 8.380 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.469 0.900 9.209 1.00 0.00 C ATOM 1830 CE LYS A 114 -2.333 -0.158 9.887 1.00 0.00 C ATOM 1831 NZ LYS A 114 -1.523 -1.071 10.736 1.00 0.00 N ATOM 0 H LYS A 114 -0.272 4.807 6.630 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.710 3.635 6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.724 2.495 7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.837 3.430 8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.063 2.337 9.011 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.826 1.336 7.592 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.737 0.412 8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.911 1.451 9.966 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.092 0.330 10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.859 -0.738 9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.146 -1.776 11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.815 -1.556 10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.041 -0.521 11.475 1.00 0.00 H new ATOM 1845 N PHE A 115 -2.837 5.636 8.746 1.00 0.00 N ATOM 1846 CA PHE A 115 -3.716 6.229 9.754 1.00 0.00 C ATOM 1847 C PHE A 115 -4.027 7.691 9.412 1.00 0.00 C ATOM 1848 O PHE A 115 -4.423 8.475 10.275 1.00 0.00 O ATOM 1849 CB PHE A 115 -3.047 6.115 11.139 1.00 0.00 C ATOM 1850 CG PHE A 115 -3.951 6.452 12.304 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -5.006 5.616 12.645 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -3.743 7.599 13.059 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -5.833 5.917 13.712 1.00 0.00 C ATOM 1854 CE2 PHE A 115 -4.567 7.904 14.126 1.00 0.00 C ATOM 1855 CZ PHE A 115 -5.613 7.061 14.453 1.00 0.00 C ATOM 0 H PHE A 115 -1.895 6.026 8.729 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.663 5.689 9.770 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.676 5.098 11.266 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -2.181 6.776 11.165 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -5.183 4.719 12.070 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.927 8.261 12.809 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -6.650 5.258 13.965 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.394 8.800 14.704 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.257 7.297 15.287 1.00 0.00 H new ATOM 1865 N ASP A 116 -3.889 8.048 8.136 1.00 0.00 N ATOM 1866 CA ASP A 116 -4.087 9.435 7.710 1.00 0.00 C ATOM 1867 C ASP A 116 -4.628 9.505 6.283 1.00 0.00 C ATOM 1868 O ASP A 116 -5.843 9.489 6.075 1.00 0.00 O ATOM 1869 CB ASP A 116 -2.778 10.236 7.832 1.00 0.00 C ATOM 1870 CG ASP A 116 -2.924 11.682 7.370 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -3.572 12.478 8.084 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -2.387 12.030 6.296 1.00 0.00 O ATOM 0 H ASP A 116 -3.643 7.404 7.384 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.828 9.882 8.372 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.445 10.223 8.870 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -2.002 9.748 7.242 1.00 0.00 H new ATOM 1877 N SER A 117 -3.727 9.546 5.303 1.00 0.00 N ATOM 1878 CA SER A 117 -4.113 9.717 3.905 1.00 0.00 C ATOM 1879 C SER A 117 -5.009 8.564 3.446 1.00 0.00 C ATOM 1880 O SER A 117 -5.951 8.766 2.680 1.00 0.00 O ATOM 1881 CB SER A 117 -2.866 9.829 3.019 1.00 0.00 C ATOM 1882 OG SER A 117 -3.198 10.280 1.714 1.00 0.00 O ATOM 0 H SER A 117 -2.722 9.463 5.453 1.00 0.00 H new ATOM 0 HA SER A 117 -4.683 10.641 3.813 1.00 0.00 H new ATOM 0 HB2 SER A 117 -2.155 10.518 3.474 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.374 8.859 2.956 1.00 0.00 H new ATOM 0 HG SER A 117 -3.244 9.514 1.105 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.715 7.356 3.926 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.554 6.190 3.651 1.00 0.00 C ATOM 1890 C TYR A 118 -6.986 6.433 4.120 1.00 0.00 C ATOM 1891 O TYR A 118 -7.932 6.367 3.328 1.00 0.00 O ATOM 1892 CB TYR A 118 -4.978 4.944 4.338 1.00 0.00 C ATOM 1893 CG TYR A 118 -5.929 3.758 4.380 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.464 3.224 3.212 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.288 3.173 5.590 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.328 2.147 3.250 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -7.150 2.096 5.634 1.00 0.00 C ATOM 1898 CZ TYR A 118 -7.667 1.589 4.463 1.00 0.00 C ATOM 1899 OH TYR A 118 -8.526 0.516 4.508 1.00 0.00 O ATOM 0 H TYR A 118 -3.901 7.159 4.508 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.566 6.025 2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.067 4.646 3.820 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.694 5.204 5.358 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -6.199 3.659 2.260 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.885 3.568 6.511 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -7.735 1.745 2.334 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -7.418 1.653 6.582 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.637 0.148 3.607 1.00 0.00 H new ATOM 1909 N ALA A 119 -7.135 6.730 5.408 1.00 0.00 N ATOM 1910 CA ALA A 119 -8.452 6.950 6.003 1.00 0.00 C ATOM 1911 C ALA A 119 -9.167 8.112 5.316 1.00 0.00 C ATOM 1912 O ALA A 119 -10.392 8.121 5.193 1.00 0.00 O ATOM 1913 CB ALA A 119 -8.321 7.210 7.499 1.00 0.00 C ATOM 0 H ALA A 119 -6.358 6.824 6.062 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.050 6.050 5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.310 7.372 7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.854 6.350 7.978 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.705 8.095 7.662 1.00 0.00 H new ATOM 1919 N ARG A 120 -8.384 9.080 4.863 1.00 0.00 N ATOM 1920 CA ARG A 120 -8.905 10.264 4.192 1.00 0.00 C ATOM 1921 C ARG A 120 -9.443 9.913 2.802 1.00 0.00 C ATOM 1922 O ARG A 120 -10.535 10.339 2.417 1.00 0.00 O ATOM 1923 CB ARG A 120 -7.788 11.310 4.084 1.00 0.00 C ATOM 1924 CG ARG A 120 -8.230 12.666 3.544 1.00 0.00 C ATOM 1925 CD ARG A 120 -7.046 13.619 3.434 1.00 0.00 C ATOM 1926 NE ARG A 120 -7.451 14.974 3.069 1.00 0.00 N ATOM 1927 CZ ARG A 120 -6.613 15.902 2.611 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -5.342 15.597 2.380 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -7.053 17.131 2.373 1.00 0.00 N ATOM 0 H ARG A 120 -7.368 9.068 4.950 1.00 0.00 H new ATOM 0 HA ARG A 120 -9.732 10.669 4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -7.348 11.454 5.071 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -7.002 10.917 3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -8.692 12.539 2.565 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.987 13.094 4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -6.516 13.646 4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -6.346 13.239 2.690 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.435 15.224 3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -5.005 14.650 2.553 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -4.702 16.310 2.029 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.032 17.364 2.541 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.412 17.843 2.022 1.00 0.00 H new ATOM 1943 N PHE A 121 -8.672 9.120 2.060 1.00 0.00 N ATOM 1944 CA PHE A 121 -9.023 8.762 0.687 1.00 0.00 C ATOM 1945 C PHE A 121 -10.324 7.963 0.646 1.00 0.00 C ATOM 1946 O PHE A 121 -11.243 8.294 -0.105 1.00 0.00 O ATOM 1947 CB PHE A 121 -7.886 7.963 0.034 1.00 0.00 C ATOM 1948 CG PHE A 121 -8.164 7.574 -1.400 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -8.116 8.525 -2.411 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.475 6.262 -1.737 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -8.374 8.176 -3.724 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -8.733 5.910 -3.049 1.00 0.00 C ATOM 1953 CZ PHE A 121 -8.682 6.868 -4.043 1.00 0.00 C ATOM 0 H PHE A 121 -7.797 8.712 2.388 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.172 9.684 0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -6.971 8.554 0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.706 7.060 0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.874 9.549 -2.169 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.516 5.508 -0.965 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.335 8.926 -4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -8.974 4.887 -3.297 1.00 0.00 H new ATOM 0 HZ PHE A 121 -8.883 6.594 -5.068 1.00 0.00 H new ATOM 1963 N VAL A 122 -10.404 6.921 1.471 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.589 6.063 1.512 1.00 0.00 C ATOM 1965 C VAL A 122 -12.793 6.814 2.087 1.00 0.00 C ATOM 1966 O VAL A 122 -13.934 6.365 1.971 1.00 0.00 O ATOM 1967 CB VAL A 122 -11.337 4.771 2.334 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -10.227 3.936 1.695 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -11.004 5.105 3.786 1.00 0.00 C ATOM 0 H VAL A 122 -9.665 6.650 2.119 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.807 5.777 0.483 1.00 0.00 H new ATOM 0 HB VAL A 122 -12.252 4.179 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.064 3.034 2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.518 3.659 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.306 4.519 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -10.832 4.183 4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -10.106 5.723 3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -11.836 5.648 4.234 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.525 7.958 2.709 1.00 0.00 N ATOM 1980 CA LYS A 123 -13.579 8.815 3.245 1.00 0.00 C ATOM 1981 C LYS A 123 -14.112 9.742 2.148 1.00 0.00 C ATOM 1982 O LYS A 123 -15.271 10.161 2.178 1.00 0.00 O ATOM 1983 CB LYS A 123 -13.032 9.641 4.419 1.00 0.00 C ATOM 1984 CG LYS A 123 -14.085 10.471 5.151 1.00 0.00 C ATOM 1985 CD LYS A 123 -13.467 11.341 6.247 1.00 0.00 C ATOM 1986 CE LYS A 123 -12.737 10.513 7.304 1.00 0.00 C ATOM 1987 NZ LYS A 123 -13.652 9.591 8.031 1.00 0.00 N ATOM 0 H LYS A 123 -11.581 8.315 2.855 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.398 8.191 3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -12.558 8.967 5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -12.255 10.309 4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.608 11.106 4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -14.829 9.807 5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -12.769 12.047 5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -14.250 11.928 6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -11.946 9.935 6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -12.256 11.182 8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -13.130 9.113 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -14.440 10.134 8.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -14.026 8.881 7.370 1.00 0.00 H new ATOM 2001 N SER A 124 -13.253 10.041 1.173 1.00 0.00 N ATOM 2002 CA SER A 124 -13.595 10.952 0.081 1.00 0.00 C ATOM 2003 C SER A 124 -14.707 10.369 -0.805 1.00 0.00 C ATOM 2004 O SER A 124 -14.796 9.150 -0.976 1.00 0.00 O ATOM 2005 CB SER A 124 -12.342 11.246 -0.754 1.00 0.00 C ATOM 2006 OG SER A 124 -11.317 11.808 0.051 1.00 0.00 O ATOM 0 H SER A 124 -12.308 9.662 1.118 1.00 0.00 H new ATOM 0 HA SER A 124 -13.970 11.881 0.510 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.984 10.326 -1.216 1.00 0.00 H new ATOM 0 HB3 SER A 124 -12.592 11.932 -1.563 1.00 0.00 H new ATOM 0 HG SER A 124 -11.067 11.172 0.753 1.00 0.00 H new ATOM 2012 N PRO A 125 -15.564 11.239 -1.390 1.00 0.00 N ATOM 2013 CA PRO A 125 -16.711 10.812 -2.215 1.00 0.00 C ATOM 2014 C PRO A 125 -16.295 9.922 -3.386 1.00 0.00 C ATOM 2015 O PRO A 125 -17.048 9.036 -3.796 1.00 0.00 O ATOM 2016 CB PRO A 125 -17.317 12.137 -2.722 1.00 0.00 C ATOM 2017 CG PRO A 125 -16.251 13.160 -2.510 1.00 0.00 C ATOM 2018 CD PRO A 125 -15.489 12.710 -1.296 1.00 0.00 C ATOM 0 HA PRO A 125 -17.413 10.207 -1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -17.592 12.067 -3.774 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -18.223 12.392 -2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -15.597 13.229 -3.379 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -16.683 14.149 -2.357 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -14.458 13.064 -1.311 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -15.940 13.080 -0.375 1.00 0.00 H new ATOM 2026 N LEU A 126 -15.088 10.154 -3.908 1.00 0.00 N ATOM 2027 CA LEU A 126 -14.565 9.382 -5.038 1.00 0.00 C ATOM 2028 C LEU A 126 -14.644 7.885 -4.745 1.00 0.00 C ATOM 2029 O LEU A 126 -14.859 7.078 -5.651 1.00 0.00 O ATOM 2030 CB LEU A 126 -13.114 9.805 -5.355 1.00 0.00 C ATOM 2031 CG LEU A 126 -12.452 9.129 -6.585 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -11.364 10.025 -7.176 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -11.853 7.767 -6.221 1.00 0.00 C ATOM 0 H LEU A 126 -14.452 10.874 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 126 -15.179 9.589 -5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -13.098 10.884 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.499 9.599 -4.479 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.234 8.976 -7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.914 9.531 -8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.803 10.972 -7.490 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.598 10.212 -6.423 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -11.398 7.322 -7.106 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.094 7.898 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -12.640 7.111 -5.849 1.00 0.00 H new ATOM 2045 N TYR A 127 -14.493 7.522 -3.474 1.00 0.00 N ATOM 2046 CA TYR A 127 -14.526 6.123 -3.075 1.00 0.00 C ATOM 2047 C TYR A 127 -15.884 5.507 -3.412 1.00 0.00 C ATOM 2048 O TYR A 127 -15.958 4.532 -4.160 1.00 0.00 O ATOM 2049 CB TYR A 127 -14.216 5.973 -1.579 1.00 0.00 C ATOM 2050 CG TYR A 127 -14.025 4.532 -1.136 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -13.187 3.672 -1.842 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -14.676 4.031 -0.014 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -13.008 2.362 -1.443 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -14.497 2.723 0.392 1.00 0.00 C ATOM 2055 CZ TYR A 127 -13.662 1.893 -0.327 1.00 0.00 C ATOM 2056 OH TYR A 127 -13.475 0.591 0.075 1.00 0.00 O ATOM 0 H TYR A 127 -14.347 8.178 -2.706 1.00 0.00 H new ATOM 0 HA TYR A 127 -13.756 5.589 -3.632 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -13.314 6.538 -1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -15.028 6.416 -1.003 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -12.668 4.036 -2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -15.333 4.676 0.550 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -12.357 1.708 -2.005 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -15.008 2.352 1.268 1.00 0.00 H new ATOM 0 HH TYR A 127 -14.339 0.195 0.315 1.00 0.00 H new ATOM 2066 N ARG A 128 -16.968 6.095 -2.895 1.00 0.00 N ATOM 2067 CA ARG A 128 -18.306 5.576 -3.183 1.00 0.00 C ATOM 2068 C ARG A 128 -18.614 5.722 -4.671 1.00 0.00 C ATOM 2069 O ARG A 128 -19.355 4.925 -5.246 1.00 0.00 O ATOM 2070 CB ARG A 128 -19.403 6.276 -2.367 1.00 0.00 C ATOM 2071 CG ARG A 128 -20.780 5.655 -2.611 1.00 0.00 C ATOM 2072 CD ARG A 128 -21.922 6.455 -2.002 1.00 0.00 C ATOM 2073 NE ARG A 128 -23.215 5.846 -2.338 1.00 0.00 N ATOM 2074 CZ ARG A 128 -24.208 6.477 -2.969 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -24.113 7.773 -3.247 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -25.302 5.808 -3.309 1.00 0.00 N ATOM 0 H ARG A 128 -16.946 6.914 -2.287 1.00 0.00 H new ATOM 0 HA ARG A 128 -18.304 4.524 -2.897 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -19.160 6.216 -1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -19.430 7.334 -2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -20.943 5.563 -3.685 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -20.793 4.646 -2.199 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -21.805 6.500 -0.919 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -21.891 7.481 -2.369 1.00 0.00 H new ATOM 0 HE ARG A 128 -23.365 4.873 -2.071 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -23.277 8.292 -2.978 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -24.876 8.248 -3.729 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -25.382 4.815 -3.088 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -26.063 6.286 -3.791 1.00 0.00 H new ATOM 2090 N GLU A 129 -18.020 6.738 -5.288 1.00 0.00 N ATOM 2091 CA GLU A 129 -18.203 7.001 -6.712 1.00 0.00 C ATOM 2092 C GLU A 129 -17.689 5.820 -7.546 1.00 0.00 C ATOM 2093 O GLU A 129 -18.008 5.690 -8.726 1.00 0.00 O ATOM 2094 CB GLU A 129 -17.483 8.302 -7.092 1.00 0.00 C ATOM 2095 CG GLU A 129 -17.875 8.867 -8.452 1.00 0.00 C ATOM 2096 CD GLU A 129 -17.280 10.244 -8.697 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -17.632 11.190 -7.956 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -16.454 10.393 -9.623 1.00 0.00 O ATOM 0 H GLU A 129 -17.401 7.399 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 129 -19.266 7.118 -6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -17.688 9.052 -6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.408 8.123 -7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -17.543 8.186 -9.235 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.961 8.926 -8.519 1.00 0.00 H new ATOM 2105 N CYS A 130 -16.885 4.968 -6.916 1.00 0.00 N ATOM 2106 CA CYS A 130 -16.434 3.723 -7.531 1.00 0.00 C ATOM 2107 C CYS A 130 -17.244 2.535 -6.993 1.00 0.00 C ATOM 2108 O CYS A 130 -17.415 1.524 -7.675 1.00 0.00 O ATOM 2109 CB CYS A 130 -14.940 3.517 -7.258 1.00 0.00 C ATOM 2110 SG CYS A 130 -13.896 4.885 -7.813 1.00 0.00 S ATOM 0 H CYS A 130 -16.530 5.119 -5.972 1.00 0.00 H new ATOM 0 HA CYS A 130 -16.591 3.786 -8.608 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -14.793 3.372 -6.188 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -14.614 2.601 -7.751 1.00 0.00 H new ATOM 0 HG CYS A 130 -14.129 5.933 -7.081 1.00 0.00 H new