USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=27 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 51 GLN :FLIP amide:sc= -0.973 F(o=-4.2,f=-3.7) USER MOD Set 1.2: A 106 GLN : amide:sc= -2.73! K(o=-3.7!,f=-4.3) USER MOD Single : A 10 SER OG : rot 180:sc= -0.315 USER MOD Single : A 14 SER OG : rot 180:sc= -0.229 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.344 F(o=-4!,f=-0.34) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -130:sc= 1.18 (180deg=-0.314) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0129 K(o=-0.013,f=-0.78) USER MOD Single : A 42 THR OG1 : rot 75:sc= 1.19 USER MOD Single : A 45 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.441) USER MOD Single : A 47 CYS SG : rot 64:sc= 0.00767 USER MOD Single : A 52 GLN : amide:sc= -0.073 X(o=-0.073,f=-0.14) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.44 K(o=-0.44,f=-2.6) USER MOD Single : A 60 GLN : amide:sc= -1.04 X(o=-1,f=-0.54) USER MOD Single : A 63 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.16) USER MOD Single : A 67 ASN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.558 K(o=0.56,f=-4!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0345 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.577 F(o=-1.1,f=-0.58) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0916 X(o=-0.092,f=0) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.0852 F(o=-0.77,f=-0.085) USER MOD Single : A 101 MET CE :methyl 160:sc= -1.84 (180deg=-2.72!) USER MOD Single : A 105 GLN : amide:sc= -2.19 K(o=-2.2,f=-4.4!) USER MOD Single : A 108 GLN : amide:sc= -0.759 K(o=-0.76,f=-5.5!) USER MOD Single : A 111 ASN : amide:sc= 1.07 K(o=1.1,f=-0.17) USER MOD Single : A 113 MET CE :methyl 166:sc= -2.82! (180deg=-3.28!) USER MOD Single : A 114 LYS NZ :NH3+ -169:sc= -0.0104 (180deg=-0.137) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 16:sc= 0.832 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot -101:sc= 1.56 USER MOD Single : A 127 TYR OH : rot 16:sc= -0.267 USER MOD Single : A 130 CYS SG : rot 180:sc= -2.12! USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 8 -15.024 -1.451 -5.355 1.00 0.00 N ATOM 107 CA VAL A 8 -13.939 -0.526 -5.021 1.00 0.00 C ATOM 108 C VAL A 8 -13.944 -0.204 -3.525 1.00 0.00 C ATOM 109 O VAL A 8 -12.925 0.170 -2.952 1.00 0.00 O ATOM 110 CB VAL A 8 -14.025 0.790 -5.838 1.00 0.00 C ATOM 111 CG1 VAL A 8 -13.931 0.505 -7.337 1.00 0.00 C ATOM 112 CG2 VAL A 8 -15.303 1.559 -5.509 1.00 0.00 C ATOM 0 HA VAL A 8 -13.005 -1.025 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.178 1.415 -5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.994 1.442 -7.890 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.981 0.017 -7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.751 -0.148 -7.635 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.337 2.477 -6.096 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.170 0.943 -5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.316 1.807 -4.448 1.00 0.00 H new ATOM 122 N ALA A 9 -15.103 -0.378 -2.896 1.00 0.00 N ATOM 123 CA ALA A 9 -15.251 -0.147 -1.461 1.00 0.00 C ATOM 124 C ALA A 9 -14.342 -1.077 -0.651 1.00 0.00 C ATOM 125 O ALA A 9 -14.034 -0.805 0.513 1.00 0.00 O ATOM 126 CB ALA A 9 -16.708 -0.331 -1.050 1.00 0.00 C ATOM 0 H ALA A 9 -15.959 -0.680 -3.361 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.949 0.878 -1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.809 -0.157 0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.332 0.379 -1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -17.027 -1.347 -1.284 1.00 0.00 H new ATOM 132 N SER A 10 -13.894 -2.161 -1.286 1.00 0.00 N ATOM 133 CA SER A 10 -13.069 -3.173 -0.629 1.00 0.00 C ATOM 134 C SER A 10 -11.740 -2.586 -0.135 1.00 0.00 C ATOM 135 O SER A 10 -11.053 -3.198 0.684 1.00 0.00 O ATOM 136 CB SER A 10 -12.811 -4.345 -1.592 1.00 0.00 C ATOM 137 OG SER A 10 -12.176 -5.435 -0.938 1.00 0.00 O ATOM 0 H SER A 10 -14.092 -2.361 -2.266 1.00 0.00 H new ATOM 0 HA SER A 10 -13.612 -3.536 0.243 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.756 -4.679 -2.020 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.189 -4.005 -2.420 1.00 0.00 H new ATOM 0 HG SER A 10 -12.029 -6.161 -1.580 1.00 0.00 H new ATOM 143 N TRP A 11 -11.380 -1.401 -0.631 1.00 0.00 N ATOM 144 CA TRP A 11 -10.146 -0.736 -0.209 1.00 0.00 C ATOM 145 C TRP A 11 -10.171 -0.447 1.294 1.00 0.00 C ATOM 146 O TRP A 11 -9.134 -0.468 1.961 1.00 0.00 O ATOM 147 CB TRP A 11 -9.947 0.582 -0.966 1.00 0.00 C ATOM 148 CG TRP A 11 -9.906 0.445 -2.461 1.00 0.00 C ATOM 149 CD1 TRP A 11 -9.490 -0.634 -3.193 1.00 0.00 C ATOM 150 CD2 TRP A 11 -10.279 1.450 -3.406 1.00 0.00 C ATOM 151 NE1 TRP A 11 -9.598 -0.359 -4.535 1.00 0.00 N ATOM 152 CE2 TRP A 11 -10.079 0.916 -4.690 1.00 0.00 C ATOM 153 CE3 TRP A 11 -10.769 2.750 -3.284 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -10.352 1.641 -5.847 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -11.040 3.471 -4.428 1.00 0.00 C ATOM 156 CH2 TRP A 11 -10.832 2.916 -5.698 1.00 0.00 C ATOM 0 H TRP A 11 -11.923 -0.884 -1.323 1.00 0.00 H new ATOM 0 HA TRP A 11 -9.319 -1.409 -0.435 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.754 1.264 -0.699 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -9.017 1.041 -0.631 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -9.130 -1.564 -2.778 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -9.359 -0.999 -5.293 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.934 3.185 -2.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.191 1.214 -6.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -11.418 4.479 -4.344 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -11.054 3.504 -6.576 1.00 0.00 H new ATOM 167 N ALA A 12 -11.368 -0.200 1.821 1.00 0.00 N ATOM 168 CA ALA A 12 -11.537 0.182 3.224 1.00 0.00 C ATOM 169 C ALA A 12 -11.306 -1.002 4.162 1.00 0.00 C ATOM 170 O ALA A 12 -11.284 -0.843 5.385 1.00 0.00 O ATOM 171 CB ALA A 12 -12.924 0.775 3.444 1.00 0.00 C ATOM 0 H ALA A 12 -12.240 -0.258 1.296 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.786 0.937 3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.038 1.055 4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.046 1.658 2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.681 0.036 3.182 1.00 0.00 H new ATOM 177 N LEU A 13 -11.132 -2.186 3.590 1.00 0.00 N ATOM 178 CA LEU A 13 -10.909 -3.394 4.379 1.00 0.00 C ATOM 179 C LEU A 13 -9.454 -3.481 4.840 1.00 0.00 C ATOM 180 O LEU A 13 -9.178 -3.860 5.979 1.00 0.00 O ATOM 181 CB LEU A 13 -11.288 -4.642 3.569 1.00 0.00 C ATOM 182 CG LEU A 13 -12.758 -4.714 3.120 1.00 0.00 C ATOM 183 CD1 LEU A 13 -13.006 -5.959 2.272 1.00 0.00 C ATOM 184 CD2 LEU A 13 -13.696 -4.687 4.328 1.00 0.00 C ATOM 0 H LEU A 13 -11.141 -2.338 2.581 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.545 -3.345 5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.653 -4.687 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.065 -5.525 4.168 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.968 -3.838 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.052 -5.989 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.370 -5.929 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.774 -6.849 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.730 -4.739 3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.483 -5.540 4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.544 -3.763 4.886 1.00 0.00 H new ATOM 196 N SER A 14 -8.526 -3.123 3.952 1.00 0.00 N ATOM 197 CA SER A 14 -7.098 -3.181 4.264 1.00 0.00 C ATOM 198 C SER A 14 -6.316 -2.202 3.385 1.00 0.00 C ATOM 199 O SER A 14 -6.515 -2.157 2.167 1.00 0.00 O ATOM 200 CB SER A 14 -6.565 -4.605 4.048 1.00 0.00 C ATOM 201 OG SER A 14 -7.392 -5.569 4.684 1.00 0.00 O ATOM 0 H SER A 14 -8.738 -2.790 3.011 1.00 0.00 H new ATOM 0 HA SER A 14 -6.965 -2.902 5.309 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.511 -4.817 2.980 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.550 -4.679 4.439 1.00 0.00 H new ATOM 0 HG SER A 14 -7.029 -6.466 4.528 1.00 0.00 H new ATOM 207 N PHE A 15 -5.426 -1.427 4.006 1.00 0.00 N ATOM 208 CA PHE A 15 -4.582 -0.479 3.276 1.00 0.00 C ATOM 209 C PHE A 15 -3.631 -1.226 2.345 1.00 0.00 C ATOM 210 O PHE A 15 -3.472 -0.860 1.185 1.00 0.00 O ATOM 211 CB PHE A 15 -3.787 0.404 4.255 1.00 0.00 C ATOM 212 CG PHE A 15 -2.874 1.403 3.580 1.00 0.00 C ATOM 213 CD1 PHE A 15 -3.299 2.116 2.467 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.594 1.636 4.065 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.470 3.034 1.855 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.762 2.554 3.455 1.00 0.00 C ATOM 217 CZ PHE A 15 -1.200 3.254 2.348 1.00 0.00 C ATOM 0 H PHE A 15 -5.270 -1.437 5.014 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.226 0.165 2.677 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.487 0.942 4.894 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.191 -0.237 4.904 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.292 1.950 2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.245 1.092 4.930 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.815 3.580 0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.231 2.725 3.844 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.550 3.972 1.869 1.00 0.00 H new ATOM 227 N GLU A 16 -3.004 -2.272 2.879 1.00 0.00 N ATOM 228 CA GLU A 16 -2.125 -3.151 2.113 1.00 0.00 C ATOM 229 C GLU A 16 -2.758 -3.527 0.776 1.00 0.00 C ATOM 230 O GLU A 16 -2.132 -3.388 -0.274 1.00 0.00 O ATOM 231 CB GLU A 16 -1.825 -4.420 2.921 1.00 0.00 C ATOM 232 CG GLU A 16 -0.906 -5.415 2.216 1.00 0.00 C ATOM 233 CD GLU A 16 -0.714 -6.695 3.016 1.00 0.00 C ATOM 234 OE1 GLU A 16 0.130 -6.708 3.936 1.00 0.00 O ATOM 235 OE2 GLU A 16 -1.427 -7.690 2.742 1.00 0.00 O ATOM 0 H GLU A 16 -3.092 -2.534 3.861 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.196 -2.617 1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.370 -4.133 3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.766 -4.917 3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.322 -5.660 1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.064 -4.949 2.042 1.00 0.00 H new ATOM 242 N ARG A 17 -4.009 -3.988 0.818 1.00 0.00 N ATOM 243 CA ARG A 17 -4.705 -4.404 -0.396 1.00 0.00 C ATOM 244 C ARG A 17 -4.836 -3.222 -1.351 1.00 0.00 C ATOM 245 O ARG A 17 -4.454 -3.324 -2.512 1.00 0.00 O ATOM 246 CB ARG A 17 -6.084 -5.010 -0.069 1.00 0.00 C ATOM 247 CG ARG A 17 -6.778 -5.663 -1.275 1.00 0.00 C ATOM 248 CD ARG A 17 -7.600 -4.668 -2.097 1.00 0.00 C ATOM 249 NE ARG A 17 -7.847 -5.148 -3.461 1.00 0.00 N ATOM 250 CZ ARG A 17 -8.765 -6.057 -3.800 1.00 0.00 C ATOM 251 NH1 ARG A 17 -9.528 -6.635 -2.877 1.00 0.00 N ATOM 252 NH2 ARG A 17 -8.910 -6.390 -5.077 1.00 0.00 N ATOM 0 H ARG A 17 -4.556 -4.082 1.674 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.117 -5.182 -0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.965 -5.756 0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.729 -4.227 0.329 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.026 -6.123 -1.916 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.430 -6.463 -0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.553 -4.487 -1.599 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.076 -3.713 -2.139 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.273 -4.757 -4.208 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.417 -6.386 -1.894 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.225 -7.327 -3.152 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.323 -5.953 -5.788 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.608 -7.083 -5.347 1.00 0.00 H new ATOM 266 N LEU A 18 -5.360 -2.101 -0.849 1.00 0.00 N ATOM 267 CA LEU A 18 -5.491 -0.872 -1.644 1.00 0.00 C ATOM 268 C LEU A 18 -4.164 -0.510 -2.307 1.00 0.00 C ATOM 269 O LEU A 18 -4.098 -0.223 -3.503 1.00 0.00 O ATOM 270 CB LEU A 18 -5.937 0.294 -0.742 1.00 0.00 C ATOM 271 CG LEU A 18 -5.775 1.705 -1.351 1.00 0.00 C ATOM 272 CD1 LEU A 18 -6.784 1.948 -2.466 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.885 2.779 -0.274 1.00 0.00 C ATOM 0 H LEU A 18 -5.702 -2.017 0.108 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.238 -1.048 -2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.985 0.148 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.368 0.250 0.187 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.778 1.764 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.643 2.949 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.638 1.212 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.795 1.857 -2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.768 3.763 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.862 2.715 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.104 2.628 0.472 1.00 0.00 H new ATOM 285 N LEU A 19 -3.117 -0.553 -1.505 1.00 0.00 N ATOM 286 CA LEU A 19 -1.806 -0.062 -1.889 1.00 0.00 C ATOM 287 C LEU A 19 -1.068 -1.070 -2.777 1.00 0.00 C ATOM 288 O LEU A 19 -0.183 -0.705 -3.548 1.00 0.00 O ATOM 289 CB LEU A 19 -1.008 0.241 -0.615 1.00 0.00 C ATOM 290 CG LEU A 19 0.333 0.944 -0.828 1.00 0.00 C ATOM 291 CD1 LEU A 19 0.147 2.262 -1.578 1.00 0.00 C ATOM 292 CD2 LEU A 19 1.038 1.175 0.500 1.00 0.00 C ATOM 0 H LEU A 19 -3.152 -0.933 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.919 0.849 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.623 0.860 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.827 -0.697 -0.089 1.00 0.00 H new ATOM 0 HG LEU A 19 0.960 0.294 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.116 2.742 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.303 2.066 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.504 2.919 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.990 1.676 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.413 1.797 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.217 0.217 0.988 1.00 0.00 H new ATOM 304 N GLN A 20 -1.437 -2.338 -2.662 1.00 0.00 N ATOM 305 CA GLN A 20 -0.827 -3.395 -3.471 1.00 0.00 C ATOM 306 C GLN A 20 -1.685 -3.674 -4.711 1.00 0.00 C ATOM 307 O GLN A 20 -1.268 -4.390 -5.626 1.00 0.00 O ATOM 308 CB GLN A 20 -0.665 -4.671 -2.626 1.00 0.00 C ATOM 309 CG GLN A 20 0.118 -5.797 -3.303 1.00 0.00 C ATOM 310 CD GLN A 20 1.637 -5.655 -3.217 1.00 0.00 C ATOM 311 OE1 GLN A 20 2.147 -4.429 -3.204 1.00 0.00 O flip ATOM 312 NE2 GLN A 20 2.351 -6.657 -3.175 1.00 0.00 N flip ATOM 0 H GLN A 20 -2.156 -2.665 -2.017 1.00 0.00 H new ATOM 0 HA GLN A 20 0.158 -3.068 -3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.165 -4.410 -1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.655 -5.044 -2.364 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.171 -6.746 -2.851 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.171 -5.843 -4.353 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.928 -7.585 -3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.365 -6.559 -3.129 1.00 0.00 H new ATOM 321 N ASP A 21 -2.884 -3.096 -4.732 1.00 0.00 N ATOM 322 CA ASP A 21 -3.825 -3.282 -5.837 1.00 0.00 C ATOM 323 C ASP A 21 -3.565 -2.234 -6.921 1.00 0.00 C ATOM 324 O ASP A 21 -3.458 -1.049 -6.617 1.00 0.00 O ATOM 325 CB ASP A 21 -5.269 -3.158 -5.322 1.00 0.00 C ATOM 326 CG ASP A 21 -6.306 -3.615 -6.334 1.00 0.00 C ATOM 327 OD1 ASP A 21 -6.583 -2.867 -7.291 1.00 0.00 O ATOM 328 OD2 ASP A 21 -6.855 -4.728 -6.166 1.00 0.00 O ATOM 0 H ASP A 21 -3.230 -2.489 -3.989 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.685 -4.276 -6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.375 -3.747 -4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.465 -2.120 -5.054 1.00 0.00 H new ATOM 333 N PRO A 22 -3.455 -2.646 -8.199 1.00 0.00 N ATOM 334 CA PRO A 22 -3.166 -1.715 -9.300 1.00 0.00 C ATOM 335 C PRO A 22 -4.284 -0.688 -9.509 1.00 0.00 C ATOM 336 O PRO A 22 -4.019 0.478 -9.813 1.00 0.00 O ATOM 337 CB PRO A 22 -3.024 -2.635 -10.526 1.00 0.00 C ATOM 338 CG PRO A 22 -3.770 -3.875 -10.158 1.00 0.00 C ATOM 339 CD PRO A 22 -3.597 -4.037 -8.673 1.00 0.00 C ATOM 0 HA PRO A 22 -2.276 -1.117 -9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.443 -2.172 -11.419 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.977 -2.851 -10.740 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.824 -3.789 -10.421 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.378 -4.740 -10.693 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.455 -4.532 -8.219 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.719 -4.637 -8.432 1.00 0.00 H new ATOM 347 N LEU A 23 -5.527 -1.124 -9.329 1.00 0.00 N ATOM 348 CA LEU A 23 -6.689 -0.253 -9.508 1.00 0.00 C ATOM 349 C LEU A 23 -6.814 0.658 -8.286 1.00 0.00 C ATOM 350 O LEU A 23 -7.042 1.872 -8.404 1.00 0.00 O ATOM 351 CB LEU A 23 -7.955 -1.119 -9.704 1.00 0.00 C ATOM 352 CG LEU A 23 -9.200 -0.412 -10.285 1.00 0.00 C ATOM 353 CD1 LEU A 23 -10.232 -1.442 -10.743 1.00 0.00 C ATOM 354 CD2 LEU A 23 -9.833 0.539 -9.269 1.00 0.00 C ATOM 0 H LEU A 23 -5.758 -2.080 -9.058 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.570 0.371 -10.394 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.699 -1.951 -10.361 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.227 -1.547 -8.739 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.872 0.177 -11.142 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.103 -0.928 -11.150 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.794 -2.079 -11.512 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.536 -2.055 -9.894 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.706 1.018 -9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.138 -0.022 -8.386 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.108 1.301 -8.983 1.00 0.00 H new ATOM 366 N GLY A 24 -6.629 0.058 -7.114 1.00 0.00 N ATOM 367 CA GLY A 24 -6.673 0.797 -5.869 1.00 0.00 C ATOM 368 C GLY A 24 -5.626 1.889 -5.818 1.00 0.00 C ATOM 369 O GLY A 24 -5.951 3.066 -5.639 1.00 0.00 O ATOM 0 H GLY A 24 -6.447 -0.940 -7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.662 1.238 -5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.522 0.111 -5.035 1.00 0.00 H new ATOM 373 N LEU A 25 -4.366 1.500 -5.998 1.00 0.00 N ATOM 374 CA LEU A 25 -3.254 2.443 -5.974 1.00 0.00 C ATOM 375 C LEU A 25 -3.415 3.472 -7.095 1.00 0.00 C ATOM 376 O LEU A 25 -2.941 4.596 -6.978 1.00 0.00 O ATOM 377 CB LEU A 25 -1.906 1.703 -6.111 1.00 0.00 C ATOM 378 CG LEU A 25 -0.745 2.243 -5.243 1.00 0.00 C ATOM 379 CD1 LEU A 25 0.545 1.482 -5.529 1.00 0.00 C ATOM 380 CD2 LEU A 25 -0.533 3.741 -5.446 1.00 0.00 C ATOM 0 H LEU A 25 -4.090 0.532 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.260 2.962 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.063 0.654 -5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.599 1.739 -7.156 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.022 2.086 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.347 1.879 -4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.401 0.425 -5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.810 1.597 -6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.291 4.080 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.297 3.937 -6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.442 4.277 -5.173 1.00 0.00 H new ATOM 392 N ALA A 26 -4.090 3.083 -8.177 1.00 0.00 N ATOM 393 CA ALA A 26 -4.351 4.001 -9.282 1.00 0.00 C ATOM 394 C ALA A 26 -5.050 5.261 -8.780 1.00 0.00 C ATOM 395 O ALA A 26 -4.537 6.371 -8.944 1.00 0.00 O ATOM 396 CB ALA A 26 -5.183 3.323 -10.366 1.00 0.00 C ATOM 0 H ALA A 26 -4.464 2.143 -8.310 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.394 4.288 -9.717 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.365 4.026 -11.179 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.644 2.457 -10.750 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.136 3.001 -9.945 1.00 0.00 H new ATOM 402 N TYR A 27 -6.209 5.081 -8.147 1.00 0.00 N ATOM 403 CA TYR A 27 -6.962 6.209 -7.590 1.00 0.00 C ATOM 404 C TYR A 27 -6.221 6.821 -6.405 1.00 0.00 C ATOM 405 O TYR A 27 -6.183 8.045 -6.247 1.00 0.00 O ATOM 406 CB TYR A 27 -8.363 5.762 -7.145 1.00 0.00 C ATOM 407 CG TYR A 27 -9.319 5.482 -8.288 1.00 0.00 C ATOM 408 CD1 TYR A 27 -9.264 4.287 -8.996 1.00 0.00 C ATOM 409 CD2 TYR A 27 -10.282 6.416 -8.652 1.00 0.00 C ATOM 410 CE1 TYR A 27 -10.139 4.033 -10.032 1.00 0.00 C ATOM 411 CE2 TYR A 27 -11.163 6.168 -9.686 1.00 0.00 C ATOM 412 CZ TYR A 27 -11.087 4.974 -10.374 1.00 0.00 C ATOM 413 OH TYR A 27 -11.963 4.715 -11.408 1.00 0.00 O ATOM 0 H TYR A 27 -6.647 4.170 -8.007 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.062 6.961 -8.373 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.269 4.863 -6.537 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.793 6.535 -6.508 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.525 3.546 -8.731 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.342 7.352 -8.117 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.082 3.100 -10.573 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.907 6.904 -9.955 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.569 5.477 -11.522 1.00 0.00 H new ATOM 423 N PHE A 28 -5.627 5.960 -5.584 1.00 0.00 N ATOM 424 CA PHE A 28 -4.943 6.394 -4.369 1.00 0.00 C ATOM 425 C PHE A 28 -3.804 7.362 -4.692 1.00 0.00 C ATOM 426 O PHE A 28 -3.691 8.423 -4.075 1.00 0.00 O ATOM 427 CB PHE A 28 -4.414 5.179 -3.594 1.00 0.00 C ATOM 428 CG PHE A 28 -3.749 5.530 -2.283 1.00 0.00 C ATOM 429 CD1 PHE A 28 -4.405 6.317 -1.346 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.473 5.069 -1.986 1.00 0.00 C ATOM 431 CE1 PHE A 28 -3.804 6.637 -0.144 1.00 0.00 C ATOM 432 CE2 PHE A 28 -1.870 5.388 -0.784 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.535 6.172 0.136 1.00 0.00 C ATOM 0 H PHE A 28 -5.605 4.952 -5.739 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.663 6.923 -3.745 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.241 4.497 -3.399 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.700 4.644 -4.220 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.398 6.684 -1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.947 4.455 -2.702 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.326 7.250 0.576 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.877 5.023 -0.565 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.063 6.422 1.075 1.00 0.00 H new ATOM 443 N THR A 29 -2.976 7.001 -5.668 1.00 0.00 N ATOM 444 CA THR A 29 -1.842 7.833 -6.043 1.00 0.00 C ATOM 445 C THR A 29 -2.335 9.132 -6.677 1.00 0.00 C ATOM 446 O THR A 29 -1.769 10.192 -6.434 1.00 0.00 O ATOM 447 CB THR A 29 -0.857 7.098 -6.998 1.00 0.00 C ATOM 448 OG1 THR A 29 0.358 7.848 -7.138 1.00 0.00 O ATOM 449 CG2 THR A 29 -1.463 6.871 -8.379 1.00 0.00 C ATOM 0 H THR A 29 -3.070 6.142 -6.210 1.00 0.00 H new ATOM 0 HA THR A 29 -1.288 8.061 -5.132 1.00 0.00 H new ATOM 0 HB THR A 29 -0.647 6.127 -6.551 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.968 7.373 -7.740 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.741 6.355 -9.013 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.363 6.264 -8.286 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.718 7.832 -8.827 1.00 0.00 H new ATOM 457 N GLU A 30 -3.417 9.048 -7.457 1.00 0.00 N ATOM 458 CA GLU A 30 -4.006 10.232 -8.085 1.00 0.00 C ATOM 459 C GLU A 30 -4.393 11.268 -7.029 1.00 0.00 C ATOM 460 O GLU A 30 -3.961 12.424 -7.086 1.00 0.00 O ATOM 461 CB GLU A 30 -5.238 9.849 -8.921 1.00 0.00 C ATOM 462 CG GLU A 30 -4.908 9.088 -10.199 1.00 0.00 C ATOM 463 CD GLU A 30 -6.138 8.800 -11.046 1.00 0.00 C ATOM 464 OE1 GLU A 30 -7.061 8.117 -10.554 1.00 0.00 O ATOM 465 OE2 GLU A 30 -6.188 9.247 -12.210 1.00 0.00 O ATOM 0 H GLU A 30 -3.901 8.175 -7.667 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.257 10.669 -8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.904 9.240 -8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.784 10.756 -9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.195 9.666 -10.787 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.421 8.147 -9.941 1.00 0.00 H new ATOM 472 N PHE A 31 -5.182 10.836 -6.049 1.00 0.00 N ATOM 473 CA PHE A 31 -5.676 11.733 -5.005 1.00 0.00 C ATOM 474 C PHE A 31 -4.532 12.207 -4.104 1.00 0.00 C ATOM 475 O PHE A 31 -4.654 13.210 -3.404 1.00 0.00 O ATOM 476 CB PHE A 31 -6.760 11.038 -4.168 1.00 0.00 C ATOM 477 CG PHE A 31 -7.429 11.954 -3.171 1.00 0.00 C ATOM 478 CD1 PHE A 31 -8.418 12.837 -3.581 1.00 0.00 C ATOM 479 CD2 PHE A 31 -7.062 11.942 -1.830 1.00 0.00 C ATOM 480 CE1 PHE A 31 -9.026 13.689 -2.679 1.00 0.00 C ATOM 481 CE2 PHE A 31 -7.669 12.793 -0.924 1.00 0.00 C ATOM 482 CZ PHE A 31 -8.651 13.667 -1.349 1.00 0.00 C ATOM 0 H PHE A 31 -5.494 9.869 -5.955 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.113 12.606 -5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.516 10.627 -4.836 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.314 10.198 -3.636 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.716 12.859 -4.619 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.295 11.261 -1.492 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.794 14.371 -3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.375 12.774 0.115 1.00 0.00 H new ATOM 0 HZ PHE A 31 -9.125 14.332 -0.643 1.00 0.00 H new ATOM 492 N LEU A 32 -3.424 11.481 -4.123 1.00 0.00 N ATOM 493 CA LEU A 32 -2.263 11.836 -3.314 1.00 0.00 C ATOM 494 C LEU A 32 -1.253 12.635 -4.150 1.00 0.00 C ATOM 495 O LEU A 32 -0.367 13.306 -3.614 1.00 0.00 O ATOM 496 CB LEU A 32 -1.629 10.551 -2.750 1.00 0.00 C ATOM 497 CG LEU A 32 -0.639 10.736 -1.587 1.00 0.00 C ATOM 498 CD1 LEU A 32 -1.285 11.499 -0.437 1.00 0.00 C ATOM 499 CD2 LEU A 32 -0.118 9.382 -1.106 1.00 0.00 C ATOM 0 H LEU A 32 -3.302 10.642 -4.690 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.574 12.469 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.430 9.892 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.112 10.039 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 32 0.204 11.323 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.564 11.616 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.603 12.482 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.151 10.945 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.581 9.533 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.954 8.771 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.391 8.876 -1.926 1.00 0.00 H new ATOM 511 N LYS A 33 -1.411 12.580 -5.473 1.00 0.00 N ATOM 512 CA LYS A 33 -0.489 13.239 -6.401 1.00 0.00 C ATOM 513 C LYS A 33 -0.965 14.654 -6.736 1.00 0.00 C ATOM 514 O LYS A 33 -0.169 15.501 -7.141 1.00 0.00 O ATOM 515 CB LYS A 33 -0.345 12.401 -7.681 1.00 0.00 C ATOM 516 CG LYS A 33 0.771 12.862 -8.616 1.00 0.00 C ATOM 517 CD LYS A 33 0.977 11.887 -9.777 1.00 0.00 C ATOM 518 CE LYS A 33 1.347 10.489 -9.285 1.00 0.00 C ATOM 519 NZ LYS A 33 1.622 9.556 -10.410 1.00 0.00 N ATOM 0 H LYS A 33 -2.175 12.082 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 33 0.486 13.320 -5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.163 11.363 -7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.290 12.424 -8.224 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.531 13.850 -9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.700 12.959 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.066 11.833 -10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.764 12.262 -10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.226 10.552 -8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.535 10.093 -8.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.869 8.619 -10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.776 9.475 -11.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.414 9.920 -10.977 1.00 0.00 H new ATOM 533 N LYS A 34 -2.260 14.908 -6.552 1.00 0.00 N ATOM 534 CA LYS A 34 -2.830 16.248 -6.758 1.00 0.00 C ATOM 535 C LYS A 34 -2.122 17.277 -5.871 1.00 0.00 C ATOM 536 O LYS A 34 -2.018 18.456 -6.216 1.00 0.00 O ATOM 537 CB LYS A 34 -4.332 16.238 -6.439 1.00 0.00 C ATOM 538 CG LYS A 34 -4.651 15.738 -5.033 1.00 0.00 C ATOM 539 CD LYS A 34 -6.135 15.853 -4.695 1.00 0.00 C ATOM 540 CE LYS A 34 -6.568 17.303 -4.512 1.00 0.00 C ATOM 541 NZ LYS A 34 -5.845 17.963 -3.389 1.00 0.00 N ATOM 0 H LYS A 34 -2.939 14.205 -6.260 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.685 16.525 -7.802 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.727 17.247 -6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.846 15.608 -7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.340 14.697 -4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.071 16.309 -4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.724 15.396 -5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.343 15.294 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.387 17.855 -5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.641 17.340 -4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.530 18.430 -2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.314 17.249 -2.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.185 18.671 -3.769 1.00 0.00 H new ATOM 555 N GLU A 35 -1.646 16.805 -4.725 1.00 0.00 N ATOM 556 CA GLU A 35 -0.939 17.636 -3.751 1.00 0.00 C ATOM 557 C GLU A 35 0.522 17.194 -3.639 1.00 0.00 C ATOM 558 O GLU A 35 1.258 17.627 -2.753 1.00 0.00 O ATOM 559 CB GLU A 35 -1.673 17.558 -2.402 1.00 0.00 C ATOM 560 CG GLU A 35 -2.206 16.164 -2.077 1.00 0.00 C ATOM 561 CD GLU A 35 -3.351 16.188 -1.075 1.00 0.00 C ATOM 562 OE1 GLU A 35 -4.462 16.640 -1.442 1.00 0.00 O ATOM 563 OE2 GLU A 35 -3.152 15.755 0.079 1.00 0.00 O ATOM 0 H GLU A 35 -1.739 15.830 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.932 18.676 -4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.994 17.872 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.504 18.263 -2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.544 15.686 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.395 15.554 -1.680 1.00 0.00 H new ATOM 570 N PHE A 36 0.908 16.308 -4.560 1.00 0.00 N ATOM 571 CA PHE A 36 2.287 15.839 -4.715 1.00 0.00 C ATOM 572 C PHE A 36 2.733 15.055 -3.483 1.00 0.00 C ATOM 573 O PHE A 36 3.902 14.722 -3.334 1.00 0.00 O ATOM 574 CB PHE A 36 3.243 17.015 -5.000 1.00 0.00 C ATOM 575 CG PHE A 36 4.596 16.585 -5.527 1.00 0.00 C ATOM 576 CD1 PHE A 36 4.736 16.162 -6.844 1.00 0.00 C ATOM 577 CD2 PHE A 36 5.722 16.592 -4.711 1.00 0.00 C ATOM 578 CE1 PHE A 36 5.965 15.761 -7.333 1.00 0.00 C ATOM 579 CE2 PHE A 36 6.952 16.187 -5.198 1.00 0.00 C ATOM 580 CZ PHE A 36 7.073 15.772 -6.510 1.00 0.00 C ATOM 0 H PHE A 36 0.262 15.890 -5.229 1.00 0.00 H new ATOM 0 HA PHE A 36 2.322 15.168 -5.573 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.777 17.684 -5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.385 17.587 -4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.873 16.147 -7.493 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.635 16.917 -3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.058 15.439 -8.360 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.818 16.195 -4.552 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.033 15.457 -6.891 1.00 0.00 H new ATOM 590 N SER A 37 1.780 14.716 -2.630 1.00 0.00 N ATOM 591 CA SER A 37 2.069 13.994 -1.403 1.00 0.00 C ATOM 592 C SER A 37 2.281 12.505 -1.692 1.00 0.00 C ATOM 593 O SER A 37 2.553 11.710 -0.790 1.00 0.00 O ATOM 594 CB SER A 37 0.922 14.215 -0.418 1.00 0.00 C ATOM 595 OG SER A 37 0.720 15.601 -0.190 1.00 0.00 O ATOM 0 H SER A 37 0.793 14.932 -2.767 1.00 0.00 H new ATOM 0 HA SER A 37 2.992 14.370 -0.961 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.008 13.768 -0.809 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.143 13.714 0.525 1.00 0.00 H new ATOM 0 HG SER A 37 -0.019 15.724 0.442 1.00 0.00 H new ATOM 601 N ALA A 38 2.180 12.145 -2.975 1.00 0.00 N ATOM 602 CA ALA A 38 2.399 10.771 -3.431 1.00 0.00 C ATOM 603 C ALA A 38 3.861 10.352 -3.273 1.00 0.00 C ATOM 604 O ALA A 38 4.232 9.230 -3.624 1.00 0.00 O ATOM 605 CB ALA A 38 1.958 10.626 -4.884 1.00 0.00 C ATOM 0 H ALA A 38 1.945 12.796 -3.724 1.00 0.00 H new ATOM 0 HA ALA A 38 1.798 10.110 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.125 9.601 -5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.898 10.867 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.535 11.307 -5.509 1.00 0.00 H new ATOM 611 N GLU A 39 4.677 11.258 -2.739 1.00 0.00 N ATOM 612 CA GLU A 39 6.093 10.994 -2.487 1.00 0.00 C ATOM 613 C GLU A 39 6.256 9.690 -1.708 1.00 0.00 C ATOM 614 O GLU A 39 7.105 8.853 -2.028 1.00 0.00 O ATOM 615 CB GLU A 39 6.700 12.159 -1.690 1.00 0.00 C ATOM 616 CG GLU A 39 6.508 13.517 -2.355 1.00 0.00 C ATOM 617 CD GLU A 39 6.958 14.680 -1.480 1.00 0.00 C ATOM 618 OE1 GLU A 39 6.136 15.197 -0.692 1.00 0.00 O ATOM 619 OE2 GLU A 39 8.130 15.087 -1.579 1.00 0.00 O ATOM 0 H GLU A 39 4.377 12.195 -2.469 1.00 0.00 H new ATOM 0 HA GLU A 39 6.613 10.899 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.250 12.183 -0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.766 11.978 -1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.065 13.538 -3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.455 13.646 -2.607 1.00 0.00 H new ATOM 626 N ASN A 40 5.398 9.524 -0.705 1.00 0.00 N ATOM 627 CA ASN A 40 5.433 8.362 0.181 1.00 0.00 C ATOM 628 C ASN A 40 5.223 7.063 -0.595 1.00 0.00 C ATOM 629 O ASN A 40 6.045 6.144 -0.521 1.00 0.00 O ATOM 630 CB ASN A 40 4.357 8.501 1.271 1.00 0.00 C ATOM 631 CG ASN A 40 4.552 9.742 2.130 1.00 0.00 C ATOM 632 OD1 ASN A 40 5.680 10.163 2.393 1.00 0.00 O ATOM 633 ND2 ASN A 40 3.454 10.346 2.556 1.00 0.00 N ATOM 0 H ASN A 40 4.659 10.191 -0.483 1.00 0.00 H new ATOM 0 HA ASN A 40 6.419 8.322 0.645 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.373 8.538 0.803 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.374 7.616 1.908 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.524 11.191 3.123 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.538 9.967 2.317 1.00 0.00 H new ATOM 640 N VAL A 41 4.128 6.992 -1.353 1.00 0.00 N ATOM 641 CA VAL A 41 3.791 5.774 -2.087 1.00 0.00 C ATOM 642 C VAL A 41 4.826 5.489 -3.168 1.00 0.00 C ATOM 643 O VAL A 41 5.158 4.336 -3.424 1.00 0.00 O ATOM 644 CB VAL A 41 2.374 5.831 -2.723 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.322 6.154 -1.668 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.313 6.829 -3.880 1.00 0.00 C ATOM 0 H VAL A 41 3.465 7.757 -1.474 1.00 0.00 H new ATOM 0 HA VAL A 41 3.793 4.965 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 41 2.157 4.845 -3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.338 6.189 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.331 5.383 -0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.544 7.121 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.307 6.840 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.565 7.825 -3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.024 6.535 -4.652 1.00 0.00 H new ATOM 656 N THR A 42 5.355 6.547 -3.781 1.00 0.00 N ATOM 657 CA THR A 42 6.339 6.403 -4.848 1.00 0.00 C ATOM 658 C THR A 42 7.634 5.796 -4.298 1.00 0.00 C ATOM 659 O THR A 42 8.253 4.936 -4.930 1.00 0.00 O ATOM 660 CB THR A 42 6.634 7.768 -5.513 1.00 0.00 C ATOM 661 OG1 THR A 42 5.407 8.359 -5.969 1.00 0.00 O ATOM 662 CG2 THR A 42 7.598 7.626 -6.687 1.00 0.00 C ATOM 0 H THR A 42 5.117 7.513 -3.555 1.00 0.00 H new ATOM 0 HA THR A 42 5.926 5.734 -5.603 1.00 0.00 H new ATOM 0 HB THR A 42 7.103 8.409 -4.767 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.905 8.704 -5.201 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.781 8.606 -7.128 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.540 7.205 -6.335 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.163 6.966 -7.437 1.00 0.00 H new ATOM 670 N PHE A 43 8.024 6.247 -3.107 1.00 0.00 N ATOM 671 CA PHE A 43 9.160 5.673 -2.393 1.00 0.00 C ATOM 672 C PHE A 43 8.913 4.187 -2.153 1.00 0.00 C ATOM 673 O PHE A 43 9.777 3.346 -2.404 1.00 0.00 O ATOM 674 CB PHE A 43 9.356 6.410 -1.059 1.00 0.00 C ATOM 675 CG PHE A 43 10.389 5.799 -0.143 1.00 0.00 C ATOM 676 CD1 PHE A 43 11.744 5.941 -0.404 1.00 0.00 C ATOM 677 CD2 PHE A 43 10.003 5.090 0.989 1.00 0.00 C ATOM 678 CE1 PHE A 43 12.690 5.391 0.442 1.00 0.00 C ATOM 679 CE2 PHE A 43 10.945 4.537 1.834 1.00 0.00 C ATOM 680 CZ PHE A 43 12.289 4.688 1.560 1.00 0.00 C ATOM 0 H PHE A 43 7.565 7.014 -2.615 1.00 0.00 H new ATOM 0 HA PHE A 43 10.065 5.786 -2.990 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.641 7.441 -1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.401 6.444 -0.535 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.064 6.488 -1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.953 4.970 1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.742 5.512 0.228 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.630 3.987 2.708 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.027 4.256 2.220 1.00 0.00 H new ATOM 690 N TRP A 44 7.704 3.888 -1.690 1.00 0.00 N ATOM 691 CA TRP A 44 7.274 2.522 -1.416 1.00 0.00 C ATOM 692 C TRP A 44 7.378 1.657 -2.682 1.00 0.00 C ATOM 693 O TRP A 44 7.796 0.500 -2.620 1.00 0.00 O ATOM 694 CB TRP A 44 5.836 2.556 -0.879 1.00 0.00 C ATOM 695 CG TRP A 44 5.303 1.233 -0.410 1.00 0.00 C ATOM 696 CD1 TRP A 44 5.563 0.614 0.780 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.393 0.386 -1.114 1.00 0.00 C ATOM 698 NE1 TRP A 44 4.872 -0.571 0.855 1.00 0.00 N ATOM 699 CE2 TRP A 44 4.144 -0.734 -0.298 1.00 0.00 C ATOM 700 CE3 TRP A 44 3.765 0.469 -2.358 1.00 0.00 C ATOM 701 CZ2 TRP A 44 3.292 -1.763 -0.689 1.00 0.00 C ATOM 702 CZ3 TRP A 44 2.921 -0.552 -2.747 1.00 0.00 C ATOM 703 CH2 TRP A 44 2.688 -1.655 -1.913 1.00 0.00 C ATOM 0 H TRP A 44 6.991 4.590 -1.493 1.00 0.00 H new ATOM 0 HA TRP A 44 7.925 2.073 -0.666 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.790 3.264 -0.051 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.181 2.938 -1.662 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.216 1.000 1.549 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.896 -1.223 1.639 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.936 1.317 -3.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.114 -2.615 -0.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.432 -0.500 -3.709 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.018 -2.435 -2.243 1.00 0.00 H new ATOM 714 N LYS A 45 7.019 2.244 -3.831 1.00 0.00 N ATOM 715 CA LYS A 45 7.127 1.560 -5.126 1.00 0.00 C ATOM 716 C LYS A 45 8.566 1.110 -5.364 1.00 0.00 C ATOM 717 O LYS A 45 8.841 -0.070 -5.609 1.00 0.00 O ATOM 718 CB LYS A 45 6.709 2.491 -6.280 1.00 0.00 C ATOM 719 CG LYS A 45 5.316 3.096 -6.140 1.00 0.00 C ATOM 720 CD LYS A 45 4.218 2.042 -6.178 1.00 0.00 C ATOM 721 CE LYS A 45 4.146 1.347 -7.536 1.00 0.00 C ATOM 722 NZ LYS A 45 3.209 0.192 -7.533 1.00 0.00 N ATOM 0 H LYS A 45 6.650 3.193 -3.890 1.00 0.00 H new ATOM 0 HA LYS A 45 6.462 0.697 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.435 3.300 -6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.755 1.932 -7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.255 3.647 -5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.153 3.815 -6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.399 1.301 -5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.258 2.509 -5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.830 2.065 -8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.141 1.003 -7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.525 -0.513 -8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.192 -0.239 -6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.254 0.519 -7.781 1.00 0.00 H new ATOM 736 N ALA A 46 9.477 2.076 -5.283 1.00 0.00 N ATOM 737 CA ALA A 46 10.896 1.833 -5.511 1.00 0.00 C ATOM 738 C ALA A 46 11.452 0.848 -4.486 1.00 0.00 C ATOM 739 O ALA A 46 12.339 0.051 -4.791 1.00 0.00 O ATOM 740 CB ALA A 46 11.660 3.152 -5.465 1.00 0.00 C ATOM 0 H ALA A 46 9.252 3.045 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 46 11.021 1.388 -6.498 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.720 2.965 -5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.280 3.820 -6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.527 3.616 -4.488 1.00 0.00 H new ATOM 746 N CYS A 47 10.912 0.897 -3.274 1.00 0.00 N ATOM 747 CA CYS A 47 11.339 0.001 -2.210 1.00 0.00 C ATOM 748 C CYS A 47 10.980 -1.449 -2.542 1.00 0.00 C ATOM 749 O CYS A 47 11.789 -2.358 -2.329 1.00 0.00 O ATOM 750 CB CYS A 47 10.717 0.422 -0.879 1.00 0.00 C ATOM 751 SG CYS A 47 11.229 2.059 -0.310 1.00 0.00 S ATOM 0 H CYS A 47 10.176 1.550 -3.005 1.00 0.00 H new ATOM 0 HA CYS A 47 12.423 0.066 -2.120 1.00 0.00 H new ATOM 0 HB2 CYS A 47 9.631 0.406 -0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 47 10.980 -0.314 -0.119 1.00 0.00 H new ATOM 0 HG CYS A 47 10.807 2.961 -1.146 1.00 0.00 H new ATOM 757 N GLU A 48 9.777 -1.667 -3.081 1.00 0.00 N ATOM 758 CA GLU A 48 9.370 -3.009 -3.492 1.00 0.00 C ATOM 759 C GLU A 48 10.272 -3.505 -4.623 1.00 0.00 C ATOM 760 O GLU A 48 10.621 -4.684 -4.681 1.00 0.00 O ATOM 761 CB GLU A 48 7.897 -3.054 -3.921 1.00 0.00 C ATOM 762 CG GLU A 48 6.913 -2.686 -2.814 1.00 0.00 C ATOM 763 CD GLU A 48 5.523 -3.252 -3.067 1.00 0.00 C ATOM 764 OE1 GLU A 48 4.866 -2.820 -4.035 1.00 0.00 O ATOM 765 OE2 GLU A 48 5.088 -4.141 -2.301 1.00 0.00 O ATOM 0 H GLU A 48 9.078 -0.941 -3.240 1.00 0.00 H new ATOM 0 HA GLU A 48 9.477 -3.668 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.754 -2.374 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.665 -4.057 -4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.287 -3.058 -1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.852 -1.601 -2.731 1.00 0.00 H new ATOM 772 N ARG A 49 10.656 -2.587 -5.509 1.00 0.00 N ATOM 773 CA ARG A 49 11.626 -2.886 -6.565 1.00 0.00 C ATOM 774 C ARG A 49 12.945 -3.355 -5.954 1.00 0.00 C ATOM 775 O ARG A 49 13.593 -4.271 -6.462 1.00 0.00 O ATOM 776 CB ARG A 49 11.890 -1.641 -7.424 1.00 0.00 C ATOM 777 CG ARG A 49 10.767 -1.278 -8.387 1.00 0.00 C ATOM 778 CD ARG A 49 11.055 0.044 -9.097 1.00 0.00 C ATOM 779 NE ARG A 49 12.452 0.137 -9.543 1.00 0.00 N ATOM 780 CZ ARG A 49 12.912 1.034 -10.415 1.00 0.00 C ATOM 781 NH1 ARG A 49 12.090 1.890 -11.011 1.00 0.00 N ATOM 782 NH2 ARG A 49 14.206 1.068 -10.695 1.00 0.00 N ATOM 0 H ARG A 49 10.310 -1.628 -5.517 1.00 0.00 H new ATOM 0 HA ARG A 49 11.210 -3.675 -7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 49 12.071 -0.793 -6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.804 -1.800 -7.997 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.646 -2.071 -9.125 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.826 -1.204 -7.842 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.393 0.145 -9.957 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.833 0.872 -8.424 1.00 0.00 H new ATOM 0 HE ARG A 49 13.118 -0.533 -9.158 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.092 1.867 -10.804 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.457 2.571 -11.676 1.00 0.00 H new ATOM 0 HH21 ARG A 49 14.843 0.411 -10.244 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.566 1.751 -11.361 1.00 0.00 H new ATOM 796 N PHE A 50 13.316 -2.717 -4.851 1.00 0.00 N ATOM 797 CA PHE A 50 14.591 -2.969 -4.194 1.00 0.00 C ATOM 798 C PHE A 50 14.594 -4.349 -3.534 1.00 0.00 C ATOM 799 O PHE A 50 15.543 -5.119 -3.682 1.00 0.00 O ATOM 800 CB PHE A 50 14.853 -1.863 -3.160 1.00 0.00 C ATOM 801 CG PHE A 50 16.213 -1.920 -2.514 1.00 0.00 C ATOM 802 CD1 PHE A 50 17.345 -1.539 -3.219 1.00 0.00 C ATOM 803 CD2 PHE A 50 16.356 -2.337 -1.199 1.00 0.00 C ATOM 804 CE1 PHE A 50 18.591 -1.578 -2.627 1.00 0.00 C ATOM 805 CE2 PHE A 50 17.601 -2.377 -0.605 1.00 0.00 C ATOM 806 CZ PHE A 50 18.721 -1.997 -1.319 1.00 0.00 C ATOM 0 H PHE A 50 12.742 -2.012 -4.388 1.00 0.00 H new ATOM 0 HA PHE A 50 15.389 -2.958 -4.936 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.736 -0.894 -3.646 1.00 0.00 H new ATOM 0 HB3 PHE A 50 14.092 -1.923 -2.382 1.00 0.00 H new ATOM 0 HD1 PHE A 50 17.250 -1.208 -4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 50 15.484 -2.633 -0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 50 19.465 -1.280 -3.188 1.00 0.00 H new ATOM 0 HE2 PHE A 50 17.700 -2.706 0.419 1.00 0.00 H new ATOM 0 HZ PHE A 50 19.696 -2.028 -0.855 1.00 0.00 H new ATOM 816 N GLN A 51 13.513 -4.662 -2.820 1.00 0.00 N ATOM 817 CA GLN A 51 13.394 -5.948 -2.132 1.00 0.00 C ATOM 818 C GLN A 51 13.094 -7.071 -3.126 1.00 0.00 C ATOM 819 O GLN A 51 13.216 -8.252 -2.796 1.00 0.00 O ATOM 820 CB GLN A 51 12.295 -5.901 -1.062 1.00 0.00 C ATOM 821 CG GLN A 51 10.896 -5.690 -1.628 1.00 0.00 C ATOM 822 CD GLN A 51 9.793 -5.864 -0.595 1.00 0.00 C ATOM 823 OE1 GLN A 51 10.077 -5.524 0.655 1.00 0.00 O flip ATOM 824 NE2 GLN A 51 8.683 -6.287 -0.922 1.00 0.00 N flip ATOM 0 H GLN A 51 12.709 -4.045 -2.703 1.00 0.00 H new ATOM 0 HA GLN A 51 14.349 -6.149 -1.646 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.311 -6.832 -0.496 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.518 -5.098 -0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.831 -4.688 -2.052 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.733 -6.393 -2.445 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.499 -6.539 -1.893 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.948 -6.385 -0.222 1.00 0.00 H new ATOM 833 N GLN A 52 12.674 -6.697 -4.335 1.00 0.00 N ATOM 834 CA GLN A 52 12.401 -7.667 -5.393 1.00 0.00 C ATOM 835 C GLN A 52 13.704 -8.334 -5.836 1.00 0.00 C ATOM 836 O GLN A 52 13.701 -9.421 -6.418 1.00 0.00 O ATOM 837 CB GLN A 52 11.712 -6.981 -6.586 1.00 0.00 C ATOM 838 CG GLN A 52 11.246 -7.941 -7.678 1.00 0.00 C ATOM 839 CD GLN A 52 10.165 -8.901 -7.198 1.00 0.00 C ATOM 840 OE1 GLN A 52 10.459 -9.986 -6.696 1.00 0.00 O ATOM 841 NE2 GLN A 52 8.909 -8.513 -7.362 1.00 0.00 N ATOM 0 H GLN A 52 12.515 -5.726 -4.605 1.00 0.00 H new ATOM 0 HA GLN A 52 11.729 -8.433 -5.006 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.852 -6.420 -6.221 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.402 -6.259 -7.023 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.866 -7.366 -8.523 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.100 -8.514 -8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.706 -7.606 -7.782 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.145 -9.121 -7.068 1.00 0.00 H new ATOM 850 N ILE A 53 14.820 -7.669 -5.548 1.00 0.00 N ATOM 851 CA ILE A 53 16.137 -8.206 -5.844 1.00 0.00 C ATOM 852 C ILE A 53 16.543 -9.189 -4.743 1.00 0.00 C ATOM 853 O ILE A 53 16.726 -8.784 -3.596 1.00 0.00 O ATOM 854 CB ILE A 53 17.190 -7.078 -5.945 1.00 0.00 C ATOM 855 CG1 ILE A 53 16.711 -5.988 -6.918 1.00 0.00 C ATOM 856 CG2 ILE A 53 18.541 -7.643 -6.385 1.00 0.00 C ATOM 857 CD1 ILE A 53 17.599 -4.762 -6.952 1.00 0.00 C ATOM 0 H ILE A 53 14.833 -6.750 -5.106 1.00 0.00 H new ATOM 0 HA ILE A 53 16.093 -8.718 -6.805 1.00 0.00 H new ATOM 0 HB ILE A 53 17.315 -6.629 -4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.653 -6.410 -7.921 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.701 -5.685 -6.641 1.00 0.00 H new ATOM 0 HG21 ILE A 53 19.269 -6.835 -6.451 1.00 0.00 H new ATOM 0 HG22 ILE A 53 18.881 -8.380 -5.658 1.00 0.00 H new ATOM 0 HG23 ILE A 53 18.437 -8.117 -7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.195 -4.040 -7.661 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.638 -4.313 -5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.604 -5.049 -7.260 1.00 0.00 H new ATOM 869 N PRO A 54 16.679 -10.490 -5.078 1.00 0.00 N ATOM 870 CA PRO A 54 16.964 -11.547 -4.096 1.00 0.00 C ATOM 871 C PRO A 54 18.060 -11.171 -3.092 1.00 0.00 C ATOM 872 O PRO A 54 17.798 -11.134 -1.888 1.00 0.00 O ATOM 873 CB PRO A 54 17.397 -12.723 -4.974 1.00 0.00 C ATOM 874 CG PRO A 54 16.628 -12.530 -6.236 1.00 0.00 C ATOM 875 CD PRO A 54 16.555 -11.037 -6.446 1.00 0.00 C ATOM 0 HA PRO A 54 16.100 -11.757 -3.466 1.00 0.00 H new ATOM 0 HB2 PRO A 54 18.472 -12.712 -5.155 1.00 0.00 H new ATOM 0 HB3 PRO A 54 17.163 -13.679 -4.506 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.123 -13.020 -7.075 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.631 -12.963 -6.157 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.357 -10.683 -7.094 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.615 -10.743 -6.912 1.00 0.00 H new ATOM 883 N ALA A 55 19.273 -10.893 -3.597 1.00 0.00 N ATOM 884 CA ALA A 55 20.413 -10.487 -2.756 1.00 0.00 C ATOM 885 C ALA A 55 21.717 -10.516 -3.550 1.00 0.00 C ATOM 886 O ALA A 55 22.560 -9.627 -3.415 1.00 0.00 O ATOM 887 CB ALA A 55 20.557 -11.392 -1.529 1.00 0.00 C ATOM 0 H ALA A 55 19.491 -10.942 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 55 20.212 -9.469 -2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 55 21.408 -11.063 -0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 55 19.649 -11.337 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 55 20.717 -12.421 -1.852 1.00 0.00 H new ATOM 893 N SER A 56 21.864 -11.543 -4.382 1.00 0.00 N ATOM 894 CA SER A 56 23.112 -11.804 -5.098 1.00 0.00 C ATOM 895 C SER A 56 23.490 -10.641 -6.021 1.00 0.00 C ATOM 896 O SER A 56 24.673 -10.364 -6.237 1.00 0.00 O ATOM 897 CB SER A 56 22.968 -13.097 -5.904 1.00 0.00 C ATOM 898 OG SER A 56 22.434 -14.138 -5.095 1.00 0.00 O ATOM 0 H SER A 56 21.124 -12.217 -4.580 1.00 0.00 H new ATOM 0 HA SER A 56 23.913 -11.910 -4.367 1.00 0.00 H new ATOM 0 HB2 SER A 56 22.317 -12.926 -6.761 1.00 0.00 H new ATOM 0 HB3 SER A 56 23.940 -13.397 -6.296 1.00 0.00 H new ATOM 0 HG SER A 56 22.348 -14.955 -5.629 1.00 0.00 H new ATOM 904 N ASP A 57 22.484 -9.956 -6.555 1.00 0.00 N ATOM 905 CA ASP A 57 22.714 -8.830 -7.455 1.00 0.00 C ATOM 906 C ASP A 57 23.019 -7.566 -6.662 1.00 0.00 C ATOM 907 O ASP A 57 22.223 -6.625 -6.631 1.00 0.00 O ATOM 908 CB ASP A 57 21.509 -8.610 -8.382 1.00 0.00 C ATOM 909 CG ASP A 57 21.334 -9.737 -9.384 1.00 0.00 C ATOM 910 OD1 ASP A 57 21.920 -9.656 -10.485 1.00 0.00 O ATOM 911 OD2 ASP A 57 20.619 -10.714 -9.072 1.00 0.00 O ATOM 0 H ASP A 57 21.500 -10.161 -6.380 1.00 0.00 H new ATOM 0 HA ASP A 57 23.578 -9.065 -8.077 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.604 -8.518 -7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 57 21.633 -7.668 -8.917 1.00 0.00 H new ATOM 916 N THR A 58 24.178 -7.561 -6.014 1.00 0.00 N ATOM 917 CA THR A 58 24.622 -6.430 -5.213 1.00 0.00 C ATOM 918 C THR A 58 24.760 -5.178 -6.081 1.00 0.00 C ATOM 919 O THR A 58 24.423 -4.071 -5.658 1.00 0.00 O ATOM 920 CB THR A 58 25.974 -6.749 -4.537 1.00 0.00 C ATOM 921 OG1 THR A 58 25.908 -8.045 -3.923 1.00 0.00 O ATOM 922 CG2 THR A 58 26.334 -5.706 -3.484 1.00 0.00 C ATOM 0 H THR A 58 24.835 -8.341 -6.030 1.00 0.00 H new ATOM 0 HA THR A 58 23.874 -6.243 -4.442 1.00 0.00 H new ATOM 0 HB THR A 58 26.747 -6.735 -5.305 1.00 0.00 H new ATOM 0 HG1 THR A 58 26.766 -8.249 -3.496 1.00 0.00 H new ATOM 0 HG21 THR A 58 27.291 -5.963 -3.030 1.00 0.00 H new ATOM 0 HG22 THR A 58 26.407 -4.725 -3.954 1.00 0.00 H new ATOM 0 HG23 THR A 58 25.562 -5.684 -2.715 1.00 0.00 H new ATOM 930 N GLN A 59 25.238 -5.375 -7.309 1.00 0.00 N ATOM 931 CA GLN A 59 25.398 -4.285 -8.270 1.00 0.00 C ATOM 932 C GLN A 59 24.033 -3.655 -8.563 1.00 0.00 C ATOM 933 O GLN A 59 23.864 -2.436 -8.496 1.00 0.00 O ATOM 934 CB GLN A 59 26.045 -4.826 -9.564 1.00 0.00 C ATOM 935 CG GLN A 59 26.837 -3.796 -10.374 1.00 0.00 C ATOM 936 CD GLN A 59 25.978 -2.704 -10.993 1.00 0.00 C ATOM 937 OE1 GLN A 59 25.762 -1.653 -10.394 1.00 0.00 O ATOM 938 NE2 GLN A 59 25.489 -2.947 -12.199 1.00 0.00 N ATOM 0 H GLN A 59 25.523 -6.288 -7.664 1.00 0.00 H new ATOM 0 HA GLN A 59 26.050 -3.518 -7.853 1.00 0.00 H new ATOM 0 HB2 GLN A 59 26.710 -5.649 -9.303 1.00 0.00 H new ATOM 0 HB3 GLN A 59 25.261 -5.239 -10.199 1.00 0.00 H new ATOM 0 HG2 GLN A 59 27.582 -3.335 -9.726 1.00 0.00 H new ATOM 0 HG3 GLN A 59 27.379 -4.311 -11.167 1.00 0.00 H new ATOM 0 HE21 GLN A 59 25.692 -3.833 -12.663 1.00 0.00 H new ATOM 0 HE22 GLN A 59 24.909 -2.249 -12.665 1.00 0.00 H new ATOM 947 N GLN A 60 23.054 -4.509 -8.861 1.00 0.00 N ATOM 948 CA GLN A 60 21.695 -4.062 -9.156 1.00 0.00 C ATOM 949 C GLN A 60 21.103 -3.339 -7.943 1.00 0.00 C ATOM 950 O GLN A 60 20.464 -2.293 -8.079 1.00 0.00 O ATOM 951 CB GLN A 60 20.823 -5.265 -9.546 1.00 0.00 C ATOM 952 CG GLN A 60 19.417 -4.896 -10.005 1.00 0.00 C ATOM 953 CD GLN A 60 18.587 -6.105 -10.421 1.00 0.00 C ATOM 954 OE1 GLN A 60 17.367 -6.108 -10.275 1.00 0.00 O ATOM 955 NE2 GLN A 60 19.238 -7.131 -10.953 1.00 0.00 N ATOM 0 H GLN A 60 23.179 -5.520 -8.904 1.00 0.00 H new ATOM 0 HA GLN A 60 21.722 -3.364 -9.993 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.320 -5.816 -10.344 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.749 -5.938 -8.692 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.904 -4.371 -9.199 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.485 -4.204 -10.844 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.252 -7.092 -11.058 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.725 -7.959 -11.257 1.00 0.00 H new ATOM 964 N LEU A 61 21.341 -3.908 -6.760 1.00 0.00 N ATOM 965 CA LEU A 61 20.916 -3.307 -5.496 1.00 0.00 C ATOM 966 C LEU A 61 21.505 -1.909 -5.339 1.00 0.00 C ATOM 967 O LEU A 61 20.810 -0.980 -4.937 1.00 0.00 O ATOM 968 CB LEU A 61 21.350 -4.188 -4.313 1.00 0.00 C ATOM 969 CG LEU A 61 20.556 -5.492 -4.131 1.00 0.00 C ATOM 970 CD1 LEU A 61 21.284 -6.436 -3.179 1.00 0.00 C ATOM 971 CD2 LEU A 61 19.149 -5.190 -3.615 1.00 0.00 C ATOM 0 H LEU A 61 21.832 -4.795 -6.652 1.00 0.00 H new ATOM 0 HA LEU A 61 19.829 -3.231 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 61 22.403 -4.439 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.268 -3.602 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 61 20.472 -5.983 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 61 20.706 -7.353 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 61 22.267 -6.675 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 61 21.400 -5.955 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.599 -6.123 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.216 -4.678 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.628 -4.554 -4.330 1.00 0.00 H new ATOM 983 N ALA A 62 22.788 -1.771 -5.667 1.00 0.00 N ATOM 984 CA ALA A 62 23.488 -0.495 -5.544 1.00 0.00 C ATOM 985 C ALA A 62 22.832 0.571 -6.416 1.00 0.00 C ATOM 986 O ALA A 62 22.621 1.703 -5.979 1.00 0.00 O ATOM 987 CB ALA A 62 24.960 -0.661 -5.912 1.00 0.00 C ATOM 0 H ALA A 62 23.366 -2.532 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 62 23.424 -0.167 -4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 62 25.469 0.298 -5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.423 -1.386 -5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 62 25.040 -1.013 -6.940 1.00 0.00 H new ATOM 993 N GLN A 63 22.496 0.192 -7.647 1.00 0.00 N ATOM 994 CA GLN A 63 21.869 1.108 -8.597 1.00 0.00 C ATOM 995 C GLN A 63 20.492 1.552 -8.101 1.00 0.00 C ATOM 996 O GLN A 63 20.191 2.750 -8.069 1.00 0.00 O ATOM 997 CB GLN A 63 21.754 0.446 -9.976 1.00 0.00 C ATOM 998 CG GLN A 63 23.101 0.106 -10.608 1.00 0.00 C ATOM 999 CD GLN A 63 23.983 1.330 -10.797 1.00 0.00 C ATOM 1000 OE1 GLN A 63 23.936 1.990 -11.836 1.00 0.00 O ATOM 1001 NE2 GLN A 63 24.793 1.643 -9.797 1.00 0.00 N ATOM 0 H GLN A 63 22.649 -0.748 -8.011 1.00 0.00 H new ATOM 0 HA GLN A 63 22.499 1.994 -8.684 1.00 0.00 H new ATOM 0 HB2 GLN A 63 21.166 -0.467 -9.883 1.00 0.00 H new ATOM 0 HB3 GLN A 63 21.207 1.111 -10.644 1.00 0.00 H new ATOM 0 HG2 GLN A 63 23.620 -0.618 -9.980 1.00 0.00 H new ATOM 0 HG3 GLN A 63 22.935 -0.371 -11.574 1.00 0.00 H new ATOM 0 HE21 GLN A 63 24.804 1.072 -8.952 1.00 0.00 H new ATOM 0 HE22 GLN A 63 25.406 2.455 -9.872 1.00 0.00 H new ATOM 1010 N GLU A 64 19.665 0.587 -7.703 1.00 0.00 N ATOM 1011 CA GLU A 64 18.336 0.884 -7.172 1.00 0.00 C ATOM 1012 C GLU A 64 18.455 1.755 -5.923 1.00 0.00 C ATOM 1013 O GLU A 64 17.734 2.743 -5.764 1.00 0.00 O ATOM 1014 CB GLU A 64 17.584 -0.414 -6.838 1.00 0.00 C ATOM 1015 CG GLU A 64 17.324 -1.317 -8.040 1.00 0.00 C ATOM 1016 CD GLU A 64 16.368 -0.706 -9.055 1.00 0.00 C ATOM 1017 OE1 GLU A 64 15.142 -0.914 -8.929 1.00 0.00 O ATOM 1018 OE2 GLU A 64 16.834 -0.032 -9.998 1.00 0.00 O ATOM 0 H GLU A 64 19.892 -0.407 -7.738 1.00 0.00 H new ATOM 0 HA GLU A 64 17.772 1.425 -7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 64 18.157 -0.971 -6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.630 -0.159 -6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.272 -1.539 -8.531 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.916 -2.266 -7.692 1.00 0.00 H new ATOM 1025 N ALA A 65 19.395 1.388 -5.054 1.00 0.00 N ATOM 1026 CA ALA A 65 19.635 2.112 -3.811 1.00 0.00 C ATOM 1027 C ALA A 65 20.030 3.554 -4.093 1.00 0.00 C ATOM 1028 O ALA A 65 19.549 4.472 -3.433 1.00 0.00 O ATOM 1029 CB ALA A 65 20.716 1.421 -2.984 1.00 0.00 C ATOM 0 H ALA A 65 20.008 0.584 -5.192 1.00 0.00 H new ATOM 0 HA ALA A 65 18.708 2.114 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 65 20.879 1.977 -2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.398 0.406 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.644 1.385 -3.555 1.00 0.00 H new ATOM 1035 N ARG A 66 20.902 3.746 -5.081 1.00 0.00 N ATOM 1036 CA ARG A 66 21.350 5.082 -5.459 1.00 0.00 C ATOM 1037 C ARG A 66 20.184 5.913 -5.987 1.00 0.00 C ATOM 1038 O ARG A 66 20.036 7.084 -5.632 1.00 0.00 O ATOM 1039 CB ARG A 66 22.463 5.016 -6.516 1.00 0.00 C ATOM 1040 CG ARG A 66 22.868 6.390 -7.042 1.00 0.00 C ATOM 1041 CD ARG A 66 23.923 6.318 -8.140 1.00 0.00 C ATOM 1042 NE ARG A 66 24.155 7.638 -8.736 1.00 0.00 N ATOM 1043 CZ ARG A 66 25.162 7.936 -9.558 1.00 0.00 C ATOM 1044 NH1 ARG A 66 26.062 7.015 -9.887 1.00 0.00 N ATOM 1045 NH2 ARG A 66 25.266 9.164 -10.054 1.00 0.00 N ATOM 0 H ARG A 66 21.311 2.993 -5.633 1.00 0.00 H new ATOM 0 HA ARG A 66 21.750 5.560 -4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 66 23.336 4.526 -6.086 1.00 0.00 H new ATOM 0 HB3 ARG A 66 22.129 4.398 -7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 66 21.985 6.901 -7.426 1.00 0.00 H new ATOM 0 HG3 ARG A 66 23.250 6.991 -6.217 1.00 0.00 H new ATOM 0 HD2 ARG A 66 24.856 5.933 -7.728 1.00 0.00 H new ATOM 0 HD3 ARG A 66 23.602 5.618 -8.912 1.00 0.00 H new ATOM 0 HE ARG A 66 23.498 8.383 -8.505 1.00 0.00 H new ATOM 0 HH11 ARG A 66 25.986 6.070 -9.510 1.00 0.00 H new ATOM 0 HH12 ARG A 66 26.828 7.253 -10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 66 24.577 9.874 -9.806 1.00 0.00 H new ATOM 0 HH22 ARG A 66 26.035 9.397 -10.683 1.00 0.00 H new ATOM 1059 N ASN A 67 19.359 5.301 -6.837 1.00 0.00 N ATOM 1060 CA ASN A 67 18.208 5.993 -7.420 1.00 0.00 C ATOM 1061 C ASN A 67 17.276 6.488 -6.321 1.00 0.00 C ATOM 1062 O ASN A 67 16.850 7.643 -6.327 1.00 0.00 O ATOM 1063 CB ASN A 67 17.437 5.071 -8.375 1.00 0.00 C ATOM 1064 CG ASN A 67 16.240 5.767 -9.011 1.00 0.00 C ATOM 1065 OD1 ASN A 67 16.346 6.360 -10.087 1.00 0.00 O ATOM 1066 ND2 ASN A 67 15.092 5.702 -8.352 1.00 0.00 N ATOM 0 H ASN A 67 19.465 4.332 -7.136 1.00 0.00 H new ATOM 0 HA ASN A 67 18.582 6.846 -7.987 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.109 4.720 -9.158 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.095 4.191 -7.830 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.259 6.151 -8.733 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.041 5.203 -7.464 1.00 0.00 H new ATOM 1073 N ILE A 68 16.974 5.603 -5.376 1.00 0.00 N ATOM 1074 CA ILE A 68 16.101 5.932 -4.252 1.00 0.00 C ATOM 1075 C ILE A 68 16.773 6.958 -3.334 1.00 0.00 C ATOM 1076 O ILE A 68 16.139 7.910 -2.865 1.00 0.00 O ATOM 1077 CB ILE A 68 15.739 4.657 -3.441 1.00 0.00 C ATOM 1078 CG1 ILE A 68 15.041 3.626 -4.349 1.00 0.00 C ATOM 1079 CG2 ILE A 68 14.858 5.008 -2.242 1.00 0.00 C ATOM 1080 CD1 ILE A 68 14.714 2.312 -3.665 1.00 0.00 C ATOM 0 H ILE A 68 17.324 4.645 -5.366 1.00 0.00 H new ATOM 0 HA ILE A 68 15.183 6.362 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 68 16.661 4.216 -3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.118 4.062 -4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.680 3.425 -5.209 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.617 4.100 -1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.391 5.700 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.937 5.475 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.225 1.644 -4.374 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.634 1.850 -3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.048 2.496 -2.822 1.00 0.00 H new ATOM 1092 N TYR A 69 18.068 6.763 -3.106 1.00 0.00 N ATOM 1093 CA TYR A 69 18.857 7.635 -2.240 1.00 0.00 C ATOM 1094 C TYR A 69 18.800 9.080 -2.735 1.00 0.00 C ATOM 1095 O TYR A 69 18.254 9.958 -2.069 1.00 0.00 O ATOM 1096 CB TYR A 69 20.320 7.150 -2.201 1.00 0.00 C ATOM 1097 CG TYR A 69 21.212 7.907 -1.228 1.00 0.00 C ATOM 1098 CD1 TYR A 69 21.839 9.094 -1.598 1.00 0.00 C ATOM 1099 CD2 TYR A 69 21.430 7.431 0.060 1.00 0.00 C ATOM 1100 CE1 TYR A 69 22.653 9.780 -0.718 1.00 0.00 C ATOM 1101 CE2 TYR A 69 22.245 8.112 0.946 1.00 0.00 C ATOM 1102 CZ TYR A 69 22.853 9.285 0.552 1.00 0.00 C ATOM 1103 OH TYR A 69 23.662 9.966 1.436 1.00 0.00 O ATOM 0 H TYR A 69 18.601 5.996 -3.516 1.00 0.00 H new ATOM 0 HA TYR A 69 18.438 7.597 -1.234 1.00 0.00 H new ATOM 0 HB2 TYR A 69 20.332 6.093 -1.937 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.744 7.233 -3.202 1.00 0.00 H new ATOM 0 HD1 TYR A 69 21.686 9.486 -2.593 1.00 0.00 H new ATOM 0 HD2 TYR A 69 20.955 6.514 0.374 1.00 0.00 H new ATOM 0 HE1 TYR A 69 23.130 10.699 -1.024 1.00 0.00 H new ATOM 0 HE2 TYR A 69 22.404 7.727 1.942 1.00 0.00 H new ATOM 0 HH TYR A 69 23.696 9.482 2.288 1.00 0.00 H new ATOM 1113 N GLN A 70 19.319 9.297 -3.937 1.00 0.00 N ATOM 1114 CA GLN A 70 19.506 10.641 -4.484 1.00 0.00 C ATOM 1115 C GLN A 70 18.207 11.214 -5.059 1.00 0.00 C ATOM 1116 O GLN A 70 18.240 12.138 -5.873 1.00 0.00 O ATOM 1117 CB GLN A 70 20.600 10.605 -5.563 1.00 0.00 C ATOM 1118 CG GLN A 70 21.951 10.113 -5.041 1.00 0.00 C ATOM 1119 CD GLN A 70 22.998 9.959 -6.132 1.00 0.00 C ATOM 1120 OE1 GLN A 70 22.675 9.701 -7.294 1.00 0.00 O ATOM 1121 NE2 GLN A 70 24.264 10.086 -5.764 1.00 0.00 N ATOM 0 H GLN A 70 19.623 8.550 -4.562 1.00 0.00 H new ATOM 0 HA GLN A 70 19.812 11.298 -3.670 1.00 0.00 H new ATOM 0 HB2 GLN A 70 20.276 9.957 -6.377 1.00 0.00 H new ATOM 0 HB3 GLN A 70 20.722 11.605 -5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 70 22.319 10.812 -4.290 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.812 9.154 -4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 70 24.494 10.300 -4.794 1.00 0.00 H new ATOM 0 HE22 GLN A 70 25.009 9.970 -6.451 1.00 0.00 H new ATOM 1130 N GLU A 71 17.066 10.681 -4.628 1.00 0.00 N ATOM 1131 CA GLU A 71 15.768 11.170 -5.091 1.00 0.00 C ATOM 1132 C GLU A 71 14.816 11.394 -3.918 1.00 0.00 C ATOM 1133 O GLU A 71 14.042 12.355 -3.910 1.00 0.00 O ATOM 1134 CB GLU A 71 15.156 10.186 -6.096 1.00 0.00 C ATOM 1135 CG GLU A 71 13.929 10.728 -6.824 1.00 0.00 C ATOM 1136 CD GLU A 71 13.407 9.772 -7.887 1.00 0.00 C ATOM 1137 OE1 GLU A 71 14.114 9.551 -8.894 1.00 0.00 O ATOM 1138 OE2 GLU A 71 12.285 9.249 -7.730 1.00 0.00 O ATOM 0 H GLU A 71 17.013 9.912 -3.960 1.00 0.00 H new ATOM 0 HA GLU A 71 15.924 12.128 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 71 15.913 9.916 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.880 9.271 -5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.139 10.925 -6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.179 11.681 -7.290 1.00 0.00 H new ATOM 1145 N PHE A 72 14.879 10.509 -2.922 1.00 0.00 N ATOM 1146 CA PHE A 72 13.998 10.595 -1.756 1.00 0.00 C ATOM 1147 C PHE A 72 14.789 10.865 -0.473 1.00 0.00 C ATOM 1148 O PHE A 72 14.319 11.572 0.424 1.00 0.00 O ATOM 1149 CB PHE A 72 13.208 9.286 -1.579 1.00 0.00 C ATOM 1150 CG PHE A 72 12.384 8.881 -2.779 1.00 0.00 C ATOM 1151 CD1 PHE A 72 11.110 9.394 -2.970 1.00 0.00 C ATOM 1152 CD2 PHE A 72 12.882 7.976 -3.708 1.00 0.00 C ATOM 1153 CE1 PHE A 72 10.353 9.017 -4.062 1.00 0.00 C ATOM 1154 CE2 PHE A 72 12.127 7.595 -4.800 1.00 0.00 C ATOM 1155 CZ PHE A 72 10.861 8.117 -4.976 1.00 0.00 C ATOM 0 H PHE A 72 15.531 9.725 -2.899 1.00 0.00 H new ATOM 0 HA PHE A 72 13.313 11.424 -1.933 1.00 0.00 H new ATOM 0 HB2 PHE A 72 13.908 8.483 -1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 72 12.547 9.390 -0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 72 10.705 10.096 -2.257 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.872 7.565 -3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.363 9.427 -4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.526 6.890 -5.515 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.268 7.821 -5.829 1.00 0.00 H new ATOM 1165 N LEU A 73 15.996 10.312 -0.396 1.00 0.00 N ATOM 1166 CA LEU A 73 16.725 10.221 0.870 1.00 0.00 C ATOM 1167 C LEU A 73 17.987 11.086 0.881 1.00 0.00 C ATOM 1168 O LEU A 73 18.802 10.992 1.802 1.00 0.00 O ATOM 1169 CB LEU A 73 17.077 8.749 1.127 1.00 0.00 C ATOM 1170 CG LEU A 73 15.881 7.782 1.044 1.00 0.00 C ATOM 1171 CD1 LEU A 73 16.331 6.333 1.199 1.00 0.00 C ATOM 1172 CD2 LEU A 73 14.830 8.140 2.092 1.00 0.00 C ATOM 0 H LEU A 73 16.493 9.919 -1.196 1.00 0.00 H new ATOM 0 HA LEU A 73 16.085 10.603 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.831 8.437 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.529 8.664 2.115 1.00 0.00 H new ATOM 0 HG LEU A 73 15.432 7.885 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.465 5.674 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.035 6.084 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 73 16.815 6.204 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 73 13.992 7.447 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 73 15.271 8.073 3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.476 9.156 1.920 1.00 0.00 H new ATOM 1184 N SER A 74 18.134 11.934 -0.129 1.00 0.00 N ATOM 1185 CA SER A 74 19.294 12.815 -0.236 1.00 0.00 C ATOM 1186 C SER A 74 19.059 14.135 0.494 1.00 0.00 C ATOM 1187 O SER A 74 18.030 14.315 1.159 1.00 0.00 O ATOM 1188 CB SER A 74 19.599 13.075 -1.712 1.00 0.00 C ATOM 1189 OG SER A 74 18.425 13.426 -2.422 1.00 0.00 O ATOM 0 H SER A 74 17.462 12.032 -0.890 1.00 0.00 H new ATOM 0 HA SER A 74 20.146 12.324 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.333 13.876 -1.799 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.044 12.185 -2.157 1.00 0.00 H new ATOM 0 HG SER A 74 18.648 13.589 -3.362 1.00 0.00 H new ATOM 1195 N SER A 75 20.024 15.049 0.370 1.00 0.00 N ATOM 1196 CA SER A 75 19.925 16.375 0.962 1.00 0.00 C ATOM 1197 C SER A 75 18.733 17.133 0.374 1.00 0.00 C ATOM 1198 O SER A 75 18.851 17.784 -0.668 1.00 0.00 O ATOM 1199 CB SER A 75 21.227 17.153 0.731 1.00 0.00 C ATOM 1200 OG SER A 75 22.349 16.409 1.183 1.00 0.00 O ATOM 0 H SER A 75 20.891 14.887 -0.143 1.00 0.00 H new ATOM 0 HA SER A 75 19.768 16.271 2.036 1.00 0.00 H new ATOM 0 HB2 SER A 75 21.338 17.377 -0.330 1.00 0.00 H new ATOM 0 HB3 SER A 75 21.183 18.107 1.256 1.00 0.00 H new ATOM 0 HG SER A 75 23.168 16.923 1.024 1.00 0.00 H new ATOM 1206 N GLN A 76 17.578 16.948 1.013 1.00 0.00 N ATOM 1207 CA GLN A 76 16.322 17.625 0.663 1.00 0.00 C ATOM 1208 C GLN A 76 15.617 16.827 -0.429 1.00 0.00 C ATOM 1209 O GLN A 76 14.404 16.618 -0.374 1.00 0.00 O ATOM 1210 CB GLN A 76 16.567 19.098 0.254 1.00 0.00 C ATOM 1211 CG GLN A 76 15.311 19.973 0.183 1.00 0.00 C ATOM 1212 CD GLN A 76 14.550 19.851 -1.128 1.00 0.00 C ATOM 1213 OE1 GLN A 76 13.578 18.958 -1.175 1.00 0.00 O flip ATOM 1214 NE2 GLN A 76 14.828 20.576 -2.085 1.00 0.00 N flip ATOM 0 H GLN A 76 17.484 16.312 1.804 1.00 0.00 H new ATOM 0 HA GLN A 76 15.673 17.663 1.538 1.00 0.00 H new ATOM 0 HB2 GLN A 76 17.262 19.545 0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.055 19.111 -0.720 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.646 19.705 1.004 1.00 0.00 H new ATOM 0 HG3 GLN A 76 15.597 21.015 0.331 1.00 0.00 H new ATOM 0 HE21 GLN A 76 15.587 21.254 -2.008 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.299 20.499 -2.954 1.00 0.00 H new ATOM 1223 N ALA A 77 16.406 16.354 -1.388 1.00 0.00 N ATOM 1224 CA ALA A 77 15.938 15.437 -2.427 1.00 0.00 C ATOM 1225 C ALA A 77 14.858 16.053 -3.322 1.00 0.00 C ATOM 1226 O ALA A 77 14.541 17.241 -3.224 1.00 0.00 O ATOM 1227 CB ALA A 77 15.431 14.149 -1.782 1.00 0.00 C ATOM 0 H ALA A 77 17.394 16.596 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 77 16.786 15.217 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.083 13.467 -2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.240 13.680 -1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.608 14.380 -1.106 1.00 0.00 H new ATOM 1233 N LEU A 78 14.314 15.229 -4.217 1.00 0.00 N ATOM 1234 CA LEU A 78 13.214 15.637 -5.083 1.00 0.00 C ATOM 1235 C LEU A 78 11.891 15.344 -4.385 1.00 0.00 C ATOM 1236 O LEU A 78 10.907 16.071 -4.543 1.00 0.00 O ATOM 1237 CB LEU A 78 13.267 14.896 -6.432 1.00 0.00 C ATOM 1238 CG LEU A 78 14.487 15.201 -7.327 1.00 0.00 C ATOM 1239 CD1 LEU A 78 15.775 14.635 -6.730 1.00 0.00 C ATOM 1240 CD2 LEU A 78 14.266 14.658 -8.738 1.00 0.00 C ATOM 0 H LEU A 78 14.622 14.267 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 78 13.303 16.705 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 78 13.245 13.824 -6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 78 12.363 15.136 -6.991 1.00 0.00 H new ATOM 0 HG LEU A 78 14.595 16.284 -7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 78 16.613 14.868 -7.386 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.947 15.079 -5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 78 15.684 13.554 -6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 78 15.136 14.882 -9.355 1.00 0.00 H new ATOM 0 HD22 LEU A 78 14.121 13.579 -8.694 1.00 0.00 H new ATOM 0 HD23 LEU A 78 13.383 15.125 -9.173 1.00 0.00 H new ATOM 1252 N SER A 79 11.884 14.267 -3.610 1.00 0.00 N ATOM 1253 CA SER A 79 10.717 13.864 -2.842 1.00 0.00 C ATOM 1254 C SER A 79 11.142 13.370 -1.456 1.00 0.00 C ATOM 1255 O SER A 79 11.315 12.168 -1.239 1.00 0.00 O ATOM 1256 CB SER A 79 9.944 12.773 -3.595 1.00 0.00 C ATOM 1257 OG SER A 79 9.587 13.207 -4.901 1.00 0.00 O ATOM 0 H SER A 79 12.688 13.649 -3.497 1.00 0.00 H new ATOM 0 HA SER A 79 10.061 14.725 -2.712 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.553 11.872 -3.662 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.045 12.509 -3.038 1.00 0.00 H new ATOM 0 HG SER A 79 9.097 12.493 -5.360 1.00 0.00 H new ATOM 1263 N PRO A 80 11.358 14.301 -0.507 1.00 0.00 N ATOM 1264 CA PRO A 80 11.787 13.956 0.852 1.00 0.00 C ATOM 1265 C PRO A 80 10.687 13.240 1.639 1.00 0.00 C ATOM 1266 O PRO A 80 9.793 13.877 2.204 1.00 0.00 O ATOM 1267 CB PRO A 80 12.121 15.317 1.482 1.00 0.00 C ATOM 1268 CG PRO A 80 11.283 16.294 0.725 1.00 0.00 C ATOM 1269 CD PRO A 80 11.201 15.761 -0.683 1.00 0.00 C ATOM 0 HA PRO A 80 12.629 13.263 0.855 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.884 15.331 2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.182 15.548 1.389 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.291 16.384 1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 80 11.730 17.288 0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.249 16.009 -1.152 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.985 16.176 -1.316 1.00 0.00 H new ATOM 1277 N VAL A 81 10.740 11.913 1.644 1.00 0.00 N ATOM 1278 CA VAL A 81 9.780 11.106 2.393 1.00 0.00 C ATOM 1279 C VAL A 81 10.109 11.121 3.886 1.00 0.00 C ATOM 1280 O VAL A 81 11.280 11.208 4.274 1.00 0.00 O ATOM 1281 CB VAL A 81 9.741 9.649 1.875 1.00 0.00 C ATOM 1282 CG1 VAL A 81 9.285 9.621 0.419 1.00 0.00 C ATOM 1283 CG2 VAL A 81 11.101 8.968 2.036 1.00 0.00 C ATOM 0 H VAL A 81 11.439 11.371 1.137 1.00 0.00 H new ATOM 0 HA VAL A 81 8.795 11.548 2.243 1.00 0.00 H new ATOM 0 HB VAL A 81 9.022 9.091 2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.261 8.590 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.288 10.054 0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.980 10.198 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.042 7.945 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.853 9.518 1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.379 8.955 3.090 1.00 0.00 H new ATOM 1293 N ASN A 82 9.072 11.040 4.717 1.00 0.00 N ATOM 1294 CA ASN A 82 9.228 11.141 6.168 1.00 0.00 C ATOM 1295 C ASN A 82 9.387 9.757 6.799 1.00 0.00 C ATOM 1296 O ASN A 82 8.409 9.032 6.992 1.00 0.00 O ATOM 1297 CB ASN A 82 8.024 11.869 6.784 1.00 0.00 C ATOM 1298 CG ASN A 82 8.161 12.068 8.286 1.00 0.00 C ATOM 1299 OD1 ASN A 82 8.691 13.081 8.745 1.00 0.00 O ATOM 1300 ND2 ASN A 82 7.693 11.100 9.060 1.00 0.00 N ATOM 0 H ASN A 82 8.109 10.904 4.409 1.00 0.00 H new ATOM 0 HA ASN A 82 10.131 11.715 6.373 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.907 12.840 6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.117 11.300 6.579 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.765 11.178 10.074 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.261 10.276 8.641 1.00 0.00 H new ATOM 1307 N ILE A 83 10.629 9.399 7.107 1.00 0.00 N ATOM 1308 CA ILE A 83 10.956 8.121 7.744 1.00 0.00 C ATOM 1309 C ILE A 83 12.082 8.320 8.756 1.00 0.00 C ATOM 1310 O ILE A 83 12.462 9.458 9.048 1.00 0.00 O ATOM 1311 CB ILE A 83 11.389 7.055 6.699 1.00 0.00 C ATOM 1312 CG1 ILE A 83 12.434 7.646 5.737 1.00 0.00 C ATOM 1313 CG2 ILE A 83 10.181 6.510 5.937 1.00 0.00 C ATOM 1314 CD1 ILE A 83 12.899 6.683 4.667 1.00 0.00 C ATOM 0 H ILE A 83 11.442 9.986 6.923 1.00 0.00 H new ATOM 0 HA ILE A 83 10.058 7.762 8.247 1.00 0.00 H new ATOM 0 HB ILE A 83 11.846 6.219 7.228 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.013 8.530 5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.298 7.977 6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.513 5.766 5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.486 6.048 6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.681 7.326 5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 83 13.634 7.174 4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 83 13.351 5.809 5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.047 6.371 4.063 1.00 0.00 H new ATOM 1326 N ASP A 84 12.610 7.217 9.289 1.00 0.00 N ATOM 1327 CA ASP A 84 13.729 7.267 10.232 1.00 0.00 C ATOM 1328 C ASP A 84 14.996 7.723 9.512 1.00 0.00 C ATOM 1329 O ASP A 84 15.853 6.909 9.171 1.00 0.00 O ATOM 1330 CB ASP A 84 13.972 5.887 10.870 1.00 0.00 C ATOM 1331 CG ASP A 84 12.706 5.249 11.418 1.00 0.00 C ATOM 1332 OD1 ASP A 84 11.910 4.731 10.607 1.00 0.00 O ATOM 1333 OD2 ASP A 84 12.503 5.257 12.652 1.00 0.00 O ATOM 0 H ASP A 84 12.279 6.274 9.083 1.00 0.00 H new ATOM 0 HA ASP A 84 13.478 7.977 11.020 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.413 5.223 10.127 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.698 5.990 11.677 1.00 0.00 H new ATOM 1338 N ARG A 85 15.090 9.021 9.248 1.00 0.00 N ATOM 1339 CA ARG A 85 16.232 9.585 8.537 1.00 0.00 C ATOM 1340 C ARG A 85 17.319 10.008 9.520 1.00 0.00 C ATOM 1341 O ARG A 85 18.512 9.938 9.212 1.00 0.00 O ATOM 1342 CB ARG A 85 15.790 10.777 7.676 1.00 0.00 C ATOM 1343 CG ARG A 85 14.782 10.405 6.590 1.00 0.00 C ATOM 1344 CD ARG A 85 14.402 11.600 5.720 1.00 0.00 C ATOM 1345 NE ARG A 85 15.558 12.160 5.013 1.00 0.00 N ATOM 1346 CZ ARG A 85 15.562 12.500 3.720 1.00 0.00 C ATOM 1347 NH1 ARG A 85 14.473 12.311 2.977 1.00 0.00 N ATOM 1348 NH2 ARG A 85 16.658 13.020 3.176 1.00 0.00 N ATOM 0 H ARG A 85 14.385 9.707 9.517 1.00 0.00 H new ATOM 0 HA ARG A 85 16.644 8.818 7.881 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.352 11.538 8.321 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.668 11.222 7.208 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.201 9.619 5.962 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.885 9.996 7.055 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.648 11.294 4.995 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.950 12.372 6.343 1.00 0.00 H new ATOM 0 HE ARG A 85 16.418 12.300 5.544 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.635 11.907 3.394 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.477 12.571 1.991 1.00 0.00 H new ATOM 0 HH21 ARG A 85 17.493 13.159 3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.664 13.280 2.190 1.00 0.00 H new ATOM 1362 N GLN A 86 16.905 10.434 10.710 1.00 0.00 N ATOM 1363 CA GLN A 86 17.845 10.861 11.745 1.00 0.00 C ATOM 1364 C GLN A 86 18.643 9.663 12.265 1.00 0.00 C ATOM 1365 O GLN A 86 19.807 9.788 12.655 1.00 0.00 O ATOM 1366 CB GLN A 86 17.091 11.545 12.897 1.00 0.00 C ATOM 1367 CG GLN A 86 18.002 12.162 13.954 1.00 0.00 C ATOM 1368 CD GLN A 86 18.878 13.286 13.413 1.00 0.00 C ATOM 1369 OE1 GLN A 86 18.362 14.050 12.459 1.00 0.00 O flip ATOM 1370 NE2 GLN A 86 20.003 13.482 13.870 1.00 0.00 N flip ATOM 0 H GLN A 86 15.924 10.493 10.983 1.00 0.00 H new ATOM 0 HA GLN A 86 18.542 11.578 11.311 1.00 0.00 H new ATOM 0 HB2 GLN A 86 16.449 12.324 12.486 1.00 0.00 H new ATOM 0 HB3 GLN A 86 16.439 10.814 13.376 1.00 0.00 H new ATOM 0 HG2 GLN A 86 17.391 12.548 14.770 1.00 0.00 H new ATOM 0 HG3 GLN A 86 18.639 11.384 14.373 1.00 0.00 H new ATOM 0 HE21 GLN A 86 20.368 12.875 14.603 1.00 0.00 H new ATOM 0 HE22 GLN A 86 20.570 14.252 13.516 1.00 0.00 H new ATOM 1379 N ALA A 87 18.009 8.496 12.253 1.00 0.00 N ATOM 1380 CA ALA A 87 18.637 7.258 12.715 1.00 0.00 C ATOM 1381 C ALA A 87 18.900 6.320 11.538 1.00 0.00 C ATOM 1382 O ALA A 87 19.055 5.108 11.712 1.00 0.00 O ATOM 1383 CB ALA A 87 17.743 6.583 13.751 1.00 0.00 C ATOM 0 H ALA A 87 17.050 8.379 11.925 1.00 0.00 H new ATOM 0 HA ALA A 87 19.595 7.497 13.178 1.00 0.00 H new ATOM 0 HB1 ALA A 87 18.214 5.661 14.093 1.00 0.00 H new ATOM 0 HB2 ALA A 87 17.599 7.253 14.599 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.777 6.352 13.303 1.00 0.00 H new ATOM 1389 N TRP A 88 18.978 6.894 10.340 1.00 0.00 N ATOM 1390 CA TRP A 88 19.099 6.108 9.117 1.00 0.00 C ATOM 1391 C TRP A 88 20.529 5.587 8.927 1.00 0.00 C ATOM 1392 O TRP A 88 21.441 5.945 9.677 1.00 0.00 O ATOM 1393 CB TRP A 88 18.660 6.948 7.909 1.00 0.00 C ATOM 1394 CG TRP A 88 18.358 6.123 6.697 1.00 0.00 C ATOM 1395 CD1 TRP A 88 17.487 5.076 6.625 1.00 0.00 C ATOM 1396 CD2 TRP A 88 18.919 6.271 5.391 1.00 0.00 C ATOM 1397 NE1 TRP A 88 17.491 4.549 5.362 1.00 0.00 N ATOM 1398 CE2 TRP A 88 18.353 5.270 4.584 1.00 0.00 C ATOM 1399 CE3 TRP A 88 19.845 7.150 4.823 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 18.685 5.120 3.248 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 20.171 7.000 3.489 1.00 0.00 C ATOM 1402 CH2 TRP A 88 19.592 5.990 2.716 1.00 0.00 C ATOM 0 H TRP A 88 18.959 7.903 10.191 1.00 0.00 H new ATOM 0 HA TRP A 88 18.444 5.241 9.201 1.00 0.00 H new ATOM 0 HB2 TRP A 88 17.775 7.525 8.178 1.00 0.00 H new ATOM 0 HB3 TRP A 88 19.446 7.664 7.667 1.00 0.00 H new ATOM 0 HD1 TRP A 88 16.883 4.716 7.444 1.00 0.00 H new ATOM 0 HE1 TRP A 88 16.940 3.748 5.052 1.00 0.00 H new ATOM 0 HE3 TRP A 88 20.297 7.932 5.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 18.241 4.340 2.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 20.884 7.673 3.037 1.00 0.00 H new ATOM 0 HH2 TRP A 88 19.868 5.896 1.676 1.00 0.00 H new ATOM 1413 N LEU A 89 20.705 4.734 7.920 1.00 0.00 N ATOM 1414 CA LEU A 89 21.992 4.101 7.642 1.00 0.00 C ATOM 1415 C LEU A 89 22.954 5.087 6.977 1.00 0.00 C ATOM 1416 O LEU A 89 24.115 5.204 7.372 1.00 0.00 O ATOM 1417 CB LEU A 89 21.800 2.864 6.743 1.00 0.00 C ATOM 1418 CG LEU A 89 20.926 1.729 7.323 1.00 0.00 C ATOM 1419 CD1 LEU A 89 19.452 2.130 7.396 1.00 0.00 C ATOM 1420 CD2 LEU A 89 21.089 0.453 6.501 1.00 0.00 C ATOM 0 H LEU A 89 19.962 4.463 7.276 1.00 0.00 H new ATOM 0 HA LEU A 89 22.424 3.785 8.592 1.00 0.00 H new ATOM 0 HB2 LEU A 89 21.358 3.190 5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 89 22.783 2.454 6.509 1.00 0.00 H new ATOM 0 HG LEU A 89 21.268 1.540 8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 89 18.871 1.306 7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.344 3.006 8.036 1.00 0.00 H new ATOM 0 HD13 LEU A 89 19.089 2.365 6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 89 20.466 -0.335 6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 89 20.785 0.642 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 89 22.133 0.139 6.519 1.00 0.00 H new ATOM 1432 N GLY A 90 22.460 5.791 5.964 1.00 0.00 N ATOM 1433 CA GLY A 90 23.276 6.763 5.256 1.00 0.00 C ATOM 1434 C GLY A 90 24.112 6.125 4.163 1.00 0.00 C ATOM 1435 O GLY A 90 23.657 5.200 3.485 1.00 0.00 O ATOM 0 H GLY A 90 21.504 5.706 5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 90 22.632 7.526 4.819 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.932 7.268 5.965 1.00 0.00 H new ATOM 1439 N GLU A 91 25.342 6.607 4.009 1.00 0.00 N ATOM 1440 CA GLU A 91 26.273 6.102 2.994 1.00 0.00 C ATOM 1441 C GLU A 91 26.597 4.619 3.211 1.00 0.00 C ATOM 1442 O GLU A 91 27.159 3.965 2.329 1.00 0.00 O ATOM 1443 CB GLU A 91 27.573 6.934 2.966 1.00 0.00 C ATOM 1444 CG GLU A 91 28.320 7.018 4.302 1.00 0.00 C ATOM 1445 CD GLU A 91 27.643 7.941 5.306 1.00 0.00 C ATOM 1446 OE1 GLU A 91 27.841 9.172 5.222 1.00 0.00 O ATOM 1447 OE2 GLU A 91 26.883 7.446 6.166 1.00 0.00 O ATOM 0 H GLU A 91 25.725 7.359 4.582 1.00 0.00 H new ATOM 0 HA GLU A 91 25.777 6.201 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 91 28.243 6.508 2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 91 27.332 7.945 2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 91 28.399 6.019 4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 91 29.336 7.369 4.122 1.00 0.00 H new ATOM 1454 N GLU A 92 26.217 4.089 4.374 1.00 0.00 N ATOM 1455 CA GLU A 92 26.429 2.682 4.695 1.00 0.00 C ATOM 1456 C GLU A 92 25.707 1.810 3.673 1.00 0.00 C ATOM 1457 O GLU A 92 26.149 0.706 3.347 1.00 0.00 O ATOM 1458 CB GLU A 92 25.918 2.379 6.111 1.00 0.00 C ATOM 1459 CG GLU A 92 26.044 0.915 6.524 1.00 0.00 C ATOM 1460 CD GLU A 92 25.481 0.651 7.910 1.00 0.00 C ATOM 1461 OE1 GLU A 92 24.247 0.726 8.077 1.00 0.00 O ATOM 1462 OE2 GLU A 92 26.267 0.377 8.844 1.00 0.00 O ATOM 0 H GLU A 92 25.757 4.620 5.113 1.00 0.00 H new ATOM 0 HA GLU A 92 27.496 2.463 4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 92 26.469 2.994 6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 92 24.871 2.674 6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.523 0.290 5.799 1.00 0.00 H new ATOM 0 HG3 GLU A 92 27.094 0.623 6.500 1.00 0.00 H new ATOM 1469 N VAL A 93 24.604 2.336 3.151 1.00 0.00 N ATOM 1470 CA VAL A 93 23.819 1.631 2.153 1.00 0.00 C ATOM 1471 C VAL A 93 24.616 1.470 0.861 1.00 0.00 C ATOM 1472 O VAL A 93 24.532 0.446 0.183 1.00 0.00 O ATOM 1473 CB VAL A 93 22.494 2.368 1.844 1.00 0.00 C ATOM 1474 CG1 VAL A 93 21.690 1.617 0.785 1.00 0.00 C ATOM 1475 CG2 VAL A 93 21.675 2.561 3.120 1.00 0.00 C ATOM 0 H VAL A 93 24.235 3.252 3.406 1.00 0.00 H new ATOM 0 HA VAL A 93 23.583 0.650 2.564 1.00 0.00 H new ATOM 0 HB VAL A 93 22.735 3.353 1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 93 20.763 2.153 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 93 22.274 1.545 -0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 93 21.458 0.615 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 93 20.747 3.081 2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 93 21.444 1.588 3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 93 22.249 3.151 3.835 1.00 0.00 H new ATOM 1485 N LEU A 94 25.395 2.496 0.536 1.00 0.00 N ATOM 1486 CA LEU A 94 26.215 2.497 -0.670 1.00 0.00 C ATOM 1487 C LEU A 94 27.492 1.692 -0.436 1.00 0.00 C ATOM 1488 O LEU A 94 28.148 1.253 -1.383 1.00 0.00 O ATOM 1489 CB LEU A 94 26.565 3.935 -1.094 1.00 0.00 C ATOM 1490 CG LEU A 94 25.379 4.826 -1.528 1.00 0.00 C ATOM 1491 CD1 LEU A 94 24.545 4.136 -2.605 1.00 0.00 C ATOM 1492 CD2 LEU A 94 24.511 5.220 -0.334 1.00 0.00 C ATOM 0 H LEU A 94 25.476 3.344 1.096 1.00 0.00 H new ATOM 0 HA LEU A 94 25.643 2.033 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 94 27.074 4.423 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 94 27.276 3.886 -1.919 1.00 0.00 H new ATOM 0 HG LEU A 94 25.791 5.742 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 94 23.717 4.783 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 94 25.169 3.935 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 94 24.153 3.197 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 94 23.686 5.846 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 94 24.113 4.322 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 94 25.113 5.773 0.387 1.00 0.00 H new ATOM 1504 N ALA A 95 27.848 1.528 0.836 1.00 0.00 N ATOM 1505 CA ALA A 95 29.002 0.719 1.220 1.00 0.00 C ATOM 1506 C ALA A 95 28.729 -0.761 0.958 1.00 0.00 C ATOM 1507 O ALA A 95 29.553 -1.460 0.362 1.00 0.00 O ATOM 1508 CB ALA A 95 29.351 0.953 2.688 1.00 0.00 C ATOM 0 H ALA A 95 27.351 1.947 1.622 1.00 0.00 H new ATOM 0 HA ALA A 95 29.855 1.021 0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.213 0.343 2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 95 29.588 2.006 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 95 28.501 0.678 3.312 1.00 0.00 H new ATOM 1514 N GLU A 96 27.560 -1.228 1.391 1.00 0.00 N ATOM 1515 CA GLU A 96 27.149 -2.615 1.179 1.00 0.00 C ATOM 1516 C GLU A 96 25.618 -2.725 1.141 1.00 0.00 C ATOM 1517 O GLU A 96 24.962 -2.775 2.182 1.00 0.00 O ATOM 1518 CB GLU A 96 27.739 -3.529 2.271 1.00 0.00 C ATOM 1519 CG GLU A 96 27.483 -3.048 3.699 1.00 0.00 C ATOM 1520 CD GLU A 96 28.054 -3.991 4.747 1.00 0.00 C ATOM 1521 OE1 GLU A 96 29.263 -3.889 5.055 1.00 0.00 O ATOM 1522 OE2 GLU A 96 27.301 -4.846 5.262 1.00 0.00 O ATOM 0 H GLU A 96 26.876 -0.662 1.894 1.00 0.00 H new ATOM 0 HA GLU A 96 27.537 -2.945 0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 96 27.321 -4.529 2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 96 28.815 -3.613 2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 96 27.922 -2.059 3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 96 26.409 -2.944 3.856 1.00 0.00 H new ATOM 1529 N PRO A 97 25.023 -2.739 -0.066 1.00 0.00 N ATOM 1530 CA PRO A 97 23.571 -2.823 -0.225 1.00 0.00 C ATOM 1531 C PRO A 97 23.052 -4.256 -0.107 1.00 0.00 C ATOM 1532 O PRO A 97 23.765 -5.220 -0.406 1.00 0.00 O ATOM 1533 CB PRO A 97 23.358 -2.291 -1.642 1.00 0.00 C ATOM 1534 CG PRO A 97 24.574 -2.746 -2.374 1.00 0.00 C ATOM 1535 CD PRO A 97 25.710 -2.661 -1.375 1.00 0.00 C ATOM 0 HA PRO A 97 23.036 -2.269 0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.448 -2.692 -2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 97 23.266 -1.205 -1.653 1.00 0.00 H new ATOM 0 HG2 PRO A 97 24.451 -3.765 -2.742 1.00 0.00 H new ATOM 0 HG3 PRO A 97 24.768 -2.115 -3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 97 26.421 -3.477 -1.505 1.00 0.00 H new ATOM 0 HD3 PRO A 97 26.269 -1.731 -1.481 1.00 0.00 H new ATOM 1543 N ARG A 98 21.811 -4.379 0.335 1.00 0.00 N ATOM 1544 CA ARG A 98 21.135 -5.664 0.441 1.00 0.00 C ATOM 1545 C ARG A 98 19.627 -5.424 0.441 1.00 0.00 C ATOM 1546 O ARG A 98 19.180 -4.360 0.859 1.00 0.00 O ATOM 1547 CB ARG A 98 21.598 -6.414 1.704 1.00 0.00 C ATOM 1548 CG ARG A 98 21.457 -5.618 2.998 1.00 0.00 C ATOM 1549 CD ARG A 98 22.308 -6.215 4.116 1.00 0.00 C ATOM 1550 NE ARG A 98 22.279 -5.400 5.333 1.00 0.00 N ATOM 1551 CZ ARG A 98 23.361 -4.867 5.907 1.00 0.00 C ATOM 1552 NH1 ARG A 98 24.560 -5.028 5.351 1.00 0.00 N ATOM 1553 NH2 ARG A 98 23.243 -4.171 7.031 1.00 0.00 N ATOM 0 H ARG A 98 21.241 -3.587 0.632 1.00 0.00 H new ATOM 0 HA ARG A 98 21.389 -6.294 -0.411 1.00 0.00 H new ATOM 0 HB2 ARG A 98 21.024 -7.336 1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 98 22.643 -6.700 1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 98 21.755 -4.584 2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 98 20.411 -5.601 3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 98 21.950 -7.219 4.345 1.00 0.00 H new ATOM 0 HD3 ARG A 98 23.338 -6.314 3.772 1.00 0.00 H new ATOM 0 HE ARG A 98 21.374 -5.228 5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 98 24.654 -5.559 4.485 1.00 0.00 H new ATOM 0 HH12 ARG A 98 25.385 -4.620 5.791 1.00 0.00 H new ATOM 0 HH21 ARG A 98 22.325 -4.043 7.457 1.00 0.00 H new ATOM 0 HH22 ARG A 98 24.070 -3.765 7.468 1.00 0.00 H new ATOM 1567 N PRO A 99 18.824 -6.401 -0.021 1.00 0.00 N ATOM 1568 CA PRO A 99 17.372 -6.216 -0.224 1.00 0.00 C ATOM 1569 C PRO A 99 16.636 -5.831 1.060 1.00 0.00 C ATOM 1570 O PRO A 99 15.510 -5.331 1.021 1.00 0.00 O ATOM 1571 CB PRO A 99 16.903 -7.595 -0.723 1.00 0.00 C ATOM 1572 CG PRO A 99 17.962 -8.539 -0.268 1.00 0.00 C ATOM 1573 CD PRO A 99 19.246 -7.771 -0.363 1.00 0.00 C ATOM 0 HA PRO A 99 17.163 -5.400 -0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.931 -7.858 -0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.798 -7.610 -1.808 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.778 -8.873 0.753 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.990 -9.430 -0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.997 -8.149 0.330 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.678 -7.825 -1.362 1.00 0.00 H new ATOM 1581 N ASP A 100 17.287 -6.050 2.196 1.00 0.00 N ATOM 1582 CA ASP A 100 16.672 -5.802 3.497 1.00 0.00 C ATOM 1583 C ASP A 100 17.016 -4.405 4.005 1.00 0.00 C ATOM 1584 O ASP A 100 16.567 -4.000 5.076 1.00 0.00 O ATOM 1585 CB ASP A 100 17.130 -6.859 4.508 1.00 0.00 C ATOM 1586 CG ASP A 100 16.851 -8.276 4.032 1.00 0.00 C ATOM 1587 OD1 ASP A 100 15.715 -8.764 4.218 1.00 0.00 O ATOM 1588 OD2 ASP A 100 17.769 -8.909 3.463 1.00 0.00 O ATOM 0 H ASP A 100 18.244 -6.400 2.244 1.00 0.00 H new ATOM 0 HA ASP A 100 15.590 -5.866 3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.198 -6.744 4.691 1.00 0.00 H new ATOM 0 HB3 ASP A 100 16.624 -6.692 5.459 1.00 0.00 H new ATOM 1593 N MET A 101 17.805 -3.672 3.217 1.00 0.00 N ATOM 1594 CA MET A 101 18.252 -2.327 3.589 1.00 0.00 C ATOM 1595 C MET A 101 17.057 -1.383 3.705 1.00 0.00 C ATOM 1596 O MET A 101 16.694 -0.948 4.796 1.00 0.00 O ATOM 1597 CB MET A 101 19.250 -1.779 2.543 1.00 0.00 C ATOM 1598 CG MET A 101 20.540 -1.226 3.132 1.00 0.00 C ATOM 1599 SD MET A 101 21.538 -2.500 3.930 1.00 0.00 S ATOM 1600 CE MET A 101 23.028 -1.585 4.324 1.00 0.00 C ATOM 0 H MET A 101 18.150 -3.990 2.311 1.00 0.00 H new ATOM 0 HA MET A 101 18.752 -2.389 4.556 1.00 0.00 H new ATOM 0 HB2 MET A 101 19.498 -2.577 1.843 1.00 0.00 H new ATOM 0 HB3 MET A 101 18.760 -0.992 1.969 1.00 0.00 H new ATOM 0 HG2 MET A 101 21.124 -0.754 2.341 1.00 0.00 H new ATOM 0 HG3 MET A 101 20.300 -0.449 3.858 1.00 0.00 H new ATOM 0 HE1 MET A 101 23.578 -2.105 5.108 1.00 0.00 H new ATOM 0 HE2 MET A 101 23.653 -1.506 3.434 1.00 0.00 H new ATOM 0 HE3 MET A 101 22.761 -0.586 4.669 1.00 0.00 H new ATOM 1610 N PHE A 102 16.430 -1.097 2.564 1.00 0.00 N ATOM 1611 CA PHE A 102 15.306 -0.164 2.511 1.00 0.00 C ATOM 1612 C PHE A 102 13.999 -0.861 2.875 1.00 0.00 C ATOM 1613 O PHE A 102 12.944 -0.232 2.900 1.00 0.00 O ATOM 1614 CB PHE A 102 15.197 0.475 1.116 1.00 0.00 C ATOM 1615 CG PHE A 102 16.379 1.337 0.738 1.00 0.00 C ATOM 1616 CD1 PHE A 102 17.313 1.725 1.690 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.551 1.767 -0.571 1.00 0.00 C ATOM 1618 CE1 PHE A 102 18.386 2.514 1.342 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.629 2.561 -0.917 1.00 0.00 C ATOM 1620 CZ PHE A 102 18.545 2.935 0.040 1.00 0.00 C ATOM 0 H PHE A 102 16.683 -1.500 1.662 1.00 0.00 H new ATOM 0 HA PHE A 102 15.490 0.623 3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 102 15.085 -0.315 0.374 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.292 1.081 1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 102 17.196 1.404 2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.835 1.478 -1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 102 19.106 2.804 2.093 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.752 2.888 -1.939 1.00 0.00 H new ATOM 0 HZ PHE A 102 19.386 3.557 -0.229 1.00 0.00 H new ATOM 1630 N ARG A 103 14.079 -2.160 3.167 1.00 0.00 N ATOM 1631 CA ARG A 103 12.899 -2.940 3.536 1.00 0.00 C ATOM 1632 C ARG A 103 12.237 -2.332 4.770 1.00 0.00 C ATOM 1633 O ARG A 103 11.013 -2.198 4.839 1.00 0.00 O ATOM 1634 CB ARG A 103 13.282 -4.397 3.826 1.00 0.00 C ATOM 1635 CG ARG A 103 12.086 -5.343 3.928 1.00 0.00 C ATOM 1636 CD ARG A 103 12.442 -6.634 4.658 1.00 0.00 C ATOM 1637 NE ARG A 103 12.560 -6.420 6.104 1.00 0.00 N ATOM 1638 CZ ARG A 103 13.470 -7.007 6.886 1.00 0.00 C ATOM 1639 NH1 ARG A 103 14.399 -7.800 6.365 1.00 0.00 N ATOM 1640 NH2 ARG A 103 13.449 -6.799 8.196 1.00 0.00 N ATOM 0 H ARG A 103 14.949 -2.693 3.155 1.00 0.00 H new ATOM 0 HA ARG A 103 12.200 -2.920 2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.947 -4.751 3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.844 -4.436 4.759 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.271 -4.843 4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.724 -5.580 2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.678 -7.386 4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.382 -7.025 4.269 1.00 0.00 H new ATOM 0 HE ARG A 103 11.901 -5.778 6.544 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.422 -7.966 5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.089 -8.243 6.971 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.739 -6.192 8.605 1.00 0.00 H new ATOM 0 HH22 ARG A 103 14.143 -7.246 8.795 1.00 0.00 H new ATOM 1654 N ALA A 104 13.070 -1.953 5.737 1.00 0.00 N ATOM 1655 CA ALA A 104 12.596 -1.360 6.979 1.00 0.00 C ATOM 1656 C ALA A 104 11.866 -0.048 6.704 1.00 0.00 C ATOM 1657 O ALA A 104 10.766 0.182 7.213 1.00 0.00 O ATOM 1658 CB ALA A 104 13.761 -1.140 7.937 1.00 0.00 C ATOM 0 H ALA A 104 14.084 -2.048 5.680 1.00 0.00 H new ATOM 0 HA ALA A 104 11.891 -2.048 7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.393 -0.696 8.862 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.236 -2.096 8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.488 -0.471 7.478 1.00 0.00 H new ATOM 1664 N GLN A 105 12.478 0.796 5.877 1.00 0.00 N ATOM 1665 CA GLN A 105 11.896 2.089 5.520 1.00 0.00 C ATOM 1666 C GLN A 105 10.631 1.903 4.679 1.00 0.00 C ATOM 1667 O GLN A 105 9.695 2.698 4.766 1.00 0.00 O ATOM 1668 CB GLN A 105 12.909 2.958 4.756 1.00 0.00 C ATOM 1669 CG GLN A 105 14.084 3.461 5.597 1.00 0.00 C ATOM 1670 CD GLN A 105 15.065 2.371 5.992 1.00 0.00 C ATOM 1671 OE1 GLN A 105 15.999 2.073 5.250 1.00 0.00 O ATOM 1672 NE2 GLN A 105 14.879 1.793 7.167 1.00 0.00 N ATOM 0 H GLN A 105 13.380 0.608 5.440 1.00 0.00 H new ATOM 0 HA GLN A 105 11.630 2.598 6.446 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.301 2.383 3.917 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.386 3.817 4.337 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.616 4.231 5.038 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.697 3.933 6.500 1.00 0.00 H new ATOM 0 HE21 GLN A 105 14.091 2.070 7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 105 15.524 1.071 7.488 1.00 0.00 H new ATOM 1681 N GLN A 106 10.617 0.839 3.879 1.00 0.00 N ATOM 1682 CA GLN A 106 9.485 0.523 3.010 1.00 0.00 C ATOM 1683 C GLN A 106 8.198 0.394 3.818 1.00 0.00 C ATOM 1684 O GLN A 106 7.231 1.124 3.595 1.00 0.00 O ATOM 1685 CB GLN A 106 9.757 -0.786 2.259 1.00 0.00 C ATOM 1686 CG GLN A 106 8.607 -1.245 1.366 1.00 0.00 C ATOM 1687 CD GLN A 106 8.928 -2.528 0.619 1.00 0.00 C ATOM 1688 OE1 GLN A 106 10.087 -2.805 0.307 1.00 0.00 O ATOM 1689 NE2 GLN A 106 7.909 -3.320 0.323 1.00 0.00 N ATOM 0 H GLN A 106 11.387 0.173 3.815 1.00 0.00 H new ATOM 0 HA GLN A 106 9.363 1.337 2.295 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.650 -0.662 1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.974 -1.570 2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.716 -1.396 1.975 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.373 -0.459 0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.962 -3.057 0.598 1.00 0.00 H new ATOM 0 HE22 GLN A 106 8.071 -4.193 -0.180 1.00 0.00 H new ATOM 1698 N LEU A 107 8.196 -0.533 4.767 1.00 0.00 N ATOM 1699 CA LEU A 107 7.017 -0.775 5.587 1.00 0.00 C ATOM 1700 C LEU A 107 6.763 0.418 6.510 1.00 0.00 C ATOM 1701 O LEU A 107 5.630 0.674 6.918 1.00 0.00 O ATOM 1702 CB LEU A 107 7.181 -2.062 6.407 1.00 0.00 C ATOM 1703 CG LEU A 107 5.900 -2.568 7.093 1.00 0.00 C ATOM 1704 CD1 LEU A 107 4.877 -3.035 6.058 1.00 0.00 C ATOM 1705 CD2 LEU A 107 6.220 -3.683 8.090 1.00 0.00 C ATOM 0 H LEU A 107 8.995 -1.128 4.987 1.00 0.00 H new ATOM 0 HA LEU A 107 6.157 -0.898 4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.557 -2.847 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 107 7.941 -1.893 7.170 1.00 0.00 H new ATOM 0 HG LEU A 107 5.462 -1.738 7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.980 -3.388 6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.618 -2.204 5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.302 -3.846 5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.299 -4.024 8.562 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.689 -4.516 7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.900 -3.305 8.853 1.00 0.00 H new ATOM 1717 N GLN A 108 7.825 1.156 6.818 1.00 0.00 N ATOM 1718 CA GLN A 108 7.722 2.322 7.688 1.00 0.00 C ATOM 1719 C GLN A 108 6.864 3.402 7.026 1.00 0.00 C ATOM 1720 O GLN A 108 5.883 3.867 7.608 1.00 0.00 O ATOM 1721 CB GLN A 108 9.118 2.870 8.014 1.00 0.00 C ATOM 1722 CG GLN A 108 9.143 3.889 9.153 1.00 0.00 C ATOM 1723 CD GLN A 108 8.831 3.281 10.518 1.00 0.00 C ATOM 1724 OE1 GLN A 108 8.071 2.318 10.636 1.00 0.00 O ATOM 1725 NE2 GLN A 108 9.442 3.827 11.558 1.00 0.00 N ATOM 0 H GLN A 108 8.768 0.967 6.477 1.00 0.00 H new ATOM 0 HA GLN A 108 7.243 2.021 8.620 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.771 2.037 8.273 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.532 3.333 7.118 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.126 4.359 9.189 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.421 4.677 8.941 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.065 4.624 11.423 1.00 0.00 H new ATOM 0 HE22 GLN A 108 9.290 3.451 12.494 1.00 0.00 H new ATOM 1734 N ILE A 109 7.225 3.773 5.795 1.00 0.00 N ATOM 1735 CA ILE A 109 6.482 4.784 5.038 1.00 0.00 C ATOM 1736 C ILE A 109 5.033 4.351 4.906 1.00 0.00 C ATOM 1737 O ILE A 109 4.102 5.152 5.026 1.00 0.00 O ATOM 1738 CB ILE A 109 7.104 4.998 3.627 1.00 0.00 C ATOM 1739 CG1 ILE A 109 6.844 6.428 3.120 1.00 0.00 C ATOM 1740 CG2 ILE A 109 6.590 3.984 2.604 1.00 0.00 C ATOM 1741 CD1 ILE A 109 7.398 7.517 4.015 1.00 0.00 C ATOM 0 H ILE A 109 8.029 3.387 5.300 1.00 0.00 H new ATOM 0 HA ILE A 109 6.536 5.730 5.576 1.00 0.00 H new ATOM 0 HB ILE A 109 8.178 4.845 3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.280 6.534 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.769 6.573 3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 109 7.054 4.176 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.841 2.976 2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.508 4.076 2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.171 8.492 3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.944 7.442 5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 109 8.478 7.402 4.102 1.00 0.00 H new ATOM 1753 N PHE A 110 4.881 3.063 4.655 1.00 0.00 N ATOM 1754 CA PHE A 110 3.575 2.408 4.616 1.00 0.00 C ATOM 1755 C PHE A 110 2.763 2.763 5.868 1.00 0.00 C ATOM 1756 O PHE A 110 1.612 3.186 5.766 1.00 0.00 O ATOM 1757 CB PHE A 110 3.754 0.881 4.486 1.00 0.00 C ATOM 1758 CG PHE A 110 2.467 0.085 4.542 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.884 -0.254 5.759 1.00 0.00 C ATOM 1760 CD2 PHE A 110 1.844 -0.325 3.375 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.710 -0.981 5.804 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.668 -1.052 3.416 1.00 0.00 C ATOM 1763 CZ PHE A 110 0.101 -1.379 4.630 1.00 0.00 C ATOM 0 H PHE A 110 5.662 2.433 4.471 1.00 0.00 H new ATOM 0 HA PHE A 110 3.024 2.764 3.745 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.257 0.667 3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.413 0.537 5.283 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.355 0.055 6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.282 -0.074 2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.269 -1.238 6.756 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.194 -1.364 2.497 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.818 -1.945 4.663 1.00 0.00 H new ATOM 1773 N ASN A 111 3.382 2.614 7.041 1.00 0.00 N ATOM 1774 CA ASN A 111 2.709 2.899 8.316 1.00 0.00 C ATOM 1775 C ASN A 111 2.369 4.383 8.456 1.00 0.00 C ATOM 1776 O ASN A 111 1.336 4.734 9.033 1.00 0.00 O ATOM 1777 CB ASN A 111 3.558 2.439 9.516 1.00 0.00 C ATOM 1778 CG ASN A 111 3.445 0.946 9.778 1.00 0.00 C ATOM 1779 OD1 ASN A 111 2.550 0.500 10.498 1.00 0.00 O ATOM 1780 ND2 ASN A 111 4.350 0.168 9.211 1.00 0.00 N ATOM 0 H ASN A 111 4.347 2.298 7.137 1.00 0.00 H new ATOM 0 HA ASN A 111 1.777 2.333 8.312 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.602 2.694 9.336 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.246 2.984 10.407 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.323 -0.840 9.363 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.076 0.576 8.621 1.00 0.00 H new ATOM 1787 N LEU A 112 3.237 5.252 7.937 1.00 0.00 N ATOM 1788 CA LEU A 112 2.994 6.697 7.975 1.00 0.00 C ATOM 1789 C LEU A 112 1.693 7.040 7.250 1.00 0.00 C ATOM 1790 O LEU A 112 0.721 7.482 7.866 1.00 0.00 O ATOM 1791 CB LEU A 112 4.175 7.477 7.352 1.00 0.00 C ATOM 1792 CG LEU A 112 5.330 7.836 8.312 1.00 0.00 C ATOM 1793 CD1 LEU A 112 4.849 8.790 9.402 1.00 0.00 C ATOM 1794 CD2 LEU A 112 5.946 6.581 8.927 1.00 0.00 C ATOM 0 H LEU A 112 4.112 4.983 7.487 1.00 0.00 H new ATOM 0 HA LEU A 112 2.903 6.994 9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.582 6.887 6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.788 8.400 6.920 1.00 0.00 H new ATOM 0 HG LEU A 112 6.103 8.339 7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.678 9.030 10.067 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.474 9.706 8.945 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.051 8.317 9.974 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.756 6.865 9.598 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.184 6.039 9.487 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.338 5.942 8.135 1.00 0.00 H new ATOM 1806 N MET A 113 1.668 6.789 5.946 1.00 0.00 N ATOM 1807 CA MET A 113 0.512 7.128 5.115 1.00 0.00 C ATOM 1808 C MET A 113 -0.697 6.250 5.446 1.00 0.00 C ATOM 1809 O MET A 113 -1.824 6.562 5.054 1.00 0.00 O ATOM 1810 CB MET A 113 0.871 7.031 3.623 1.00 0.00 C ATOM 1811 CG MET A 113 1.485 5.703 3.204 1.00 0.00 C ATOM 1812 SD MET A 113 2.001 5.704 1.475 1.00 0.00 S ATOM 1813 CE MET A 113 2.835 4.124 1.362 1.00 0.00 C ATOM 0 H MET A 113 2.436 6.351 5.438 1.00 0.00 H new ATOM 0 HA MET A 113 0.235 8.159 5.336 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.030 7.201 3.034 1.00 0.00 H new ATOM 0 HB3 MET A 113 1.568 7.832 3.378 1.00 0.00 H new ATOM 0 HG2 MET A 113 2.345 5.487 3.838 1.00 0.00 H new ATOM 0 HG3 MET A 113 0.762 4.904 3.365 1.00 0.00 H new ATOM 0 HE1 MET A 113 2.989 3.868 0.314 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.799 4.185 1.867 1.00 0.00 H new ATOM 0 HE3 MET A 113 2.225 3.356 1.837 1.00 0.00 H new ATOM 1823 N LYS A 114 -0.460 5.166 6.184 1.00 0.00 N ATOM 1824 CA LYS A 114 -1.530 4.265 6.624 1.00 0.00 C ATOM 1825 C LYS A 114 -2.547 5.007 7.498 1.00 0.00 C ATOM 1826 O LYS A 114 -3.743 4.718 7.460 1.00 0.00 O ATOM 1827 CB LYS A 114 -0.927 3.085 7.401 1.00 0.00 C ATOM 1828 CG LYS A 114 -1.942 2.054 7.891 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.256 0.901 8.620 1.00 0.00 C ATOM 1830 CE LYS A 114 -2.258 -0.087 9.209 1.00 0.00 C ATOM 1831 NZ LYS A 114 -3.082 0.524 10.286 1.00 0.00 N ATOM 0 H LYS A 114 0.471 4.887 6.493 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.051 3.890 5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.199 2.583 6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.382 3.475 8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.658 2.534 8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.507 1.666 7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.596 0.377 7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.630 1.300 9.418 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.912 -0.454 8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.724 -0.950 9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.613 -0.220 10.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.462 1.015 10.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.748 1.205 9.869 1.00 0.00 H new ATOM 1845 N PHE A 115 -2.059 5.976 8.271 1.00 0.00 N ATOM 1846 CA PHE A 115 -2.900 6.729 9.206 1.00 0.00 C ATOM 1847 C PHE A 115 -3.143 8.153 8.692 1.00 0.00 C ATOM 1848 O PHE A 115 -3.779 8.973 9.360 1.00 0.00 O ATOM 1849 CB PHE A 115 -2.229 6.752 10.592 1.00 0.00 C ATOM 1850 CG PHE A 115 -3.011 7.492 11.654 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -4.237 7.011 12.093 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -2.524 8.672 12.202 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -4.957 7.690 13.057 1.00 0.00 C ATOM 1854 CE2 PHE A 115 -3.242 9.353 13.166 1.00 0.00 C ATOM 1855 CZ PHE A 115 -4.460 8.861 13.594 1.00 0.00 C ATOM 0 H PHE A 115 -1.080 6.261 8.269 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.870 6.239 9.289 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.072 5.725 10.923 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.245 7.210 10.498 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -4.632 6.096 11.677 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -1.573 9.062 11.870 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -5.909 7.305 13.391 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -2.852 10.269 13.585 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.023 9.392 14.348 1.00 0.00 H new ATOM 1865 N ASP A 116 -2.679 8.427 7.478 1.00 0.00 N ATOM 1866 CA ASP A 116 -2.721 9.780 6.923 1.00 0.00 C ATOM 1867 C ASP A 116 -3.419 9.780 5.568 1.00 0.00 C ATOM 1868 O ASP A 116 -4.621 10.048 5.478 1.00 0.00 O ATOM 1869 CB ASP A 116 -1.298 10.359 6.786 1.00 0.00 C ATOM 1870 CG ASP A 116 -0.709 10.848 8.105 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -0.545 10.036 9.038 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -0.378 12.051 8.204 1.00 0.00 O ATOM 0 H ASP A 116 -2.268 7.731 6.856 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.287 10.410 7.609 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -0.643 9.596 6.366 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.318 11.187 6.077 1.00 0.00 H new ATOM 1877 N SER A 117 -2.669 9.446 4.523 1.00 0.00 N ATOM 1878 CA SER A 117 -3.196 9.433 3.165 1.00 0.00 C ATOM 1879 C SER A 117 -4.362 8.457 3.053 1.00 0.00 C ATOM 1880 O SER A 117 -5.410 8.786 2.498 1.00 0.00 O ATOM 1881 CB SER A 117 -2.082 9.056 2.188 1.00 0.00 C ATOM 1882 OG SER A 117 -0.950 9.887 2.374 1.00 0.00 O ATOM 0 H SER A 117 -1.687 9.179 4.593 1.00 0.00 H new ATOM 0 HA SER A 117 -3.565 10.428 2.916 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.801 8.013 2.334 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.443 9.149 1.164 1.00 0.00 H new ATOM 0 HG SER A 117 -0.248 9.629 1.741 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.178 7.260 3.607 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.215 6.235 3.598 1.00 0.00 C ATOM 1890 C TYR A 118 -6.429 6.698 4.392 1.00 0.00 C ATOM 1891 O TYR A 118 -7.568 6.583 3.929 1.00 0.00 O ATOM 1892 CB TYR A 118 -4.677 4.926 4.185 1.00 0.00 C ATOM 1893 CG TYR A 118 -5.712 3.817 4.265 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.357 3.359 3.121 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.037 3.220 5.481 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.289 2.343 3.182 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -6.971 2.204 5.549 1.00 0.00 C ATOM 1898 CZ TYR A 118 -7.594 1.770 4.397 1.00 0.00 C ATOM 1899 OH TYR A 118 -8.518 0.752 4.460 1.00 0.00 O ATOM 0 H TYR A 118 -3.314 6.977 4.070 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.516 6.062 2.565 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.839 4.584 3.578 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.288 5.120 5.185 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -6.124 3.807 2.166 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.551 3.557 6.385 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -7.777 1.999 2.282 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -7.212 1.752 6.500 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.670 0.392 3.561 1.00 0.00 H new ATOM 1909 N ALA A 119 -6.172 7.236 5.584 1.00 0.00 N ATOM 1910 CA ALA A 119 -7.240 7.700 6.466 1.00 0.00 C ATOM 1911 C ALA A 119 -8.123 8.724 5.758 1.00 0.00 C ATOM 1912 O ALA A 119 -9.348 8.688 5.867 1.00 0.00 O ATOM 1913 CB ALA A 119 -6.654 8.293 7.742 1.00 0.00 C ATOM 0 H ALA A 119 -5.232 7.361 5.960 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.860 6.844 6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -7.462 8.634 8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -6.070 7.533 8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -6.011 9.136 7.489 1.00 0.00 H new ATOM 1919 N ARG A 120 -7.489 9.631 5.020 1.00 0.00 N ATOM 1920 CA ARG A 120 -8.209 10.666 4.288 1.00 0.00 C ATOM 1921 C ARG A 120 -8.831 10.096 3.012 1.00 0.00 C ATOM 1922 O ARG A 120 -9.924 10.494 2.611 1.00 0.00 O ATOM 1923 CB ARG A 120 -7.267 11.824 3.937 1.00 0.00 C ATOM 1924 CG ARG A 120 -7.960 12.989 3.234 1.00 0.00 C ATOM 1925 CD ARG A 120 -6.973 14.073 2.821 1.00 0.00 C ATOM 1926 NE ARG A 120 -7.647 15.206 2.186 1.00 0.00 N ATOM 1927 CZ ARG A 120 -7.113 15.961 1.226 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -5.897 15.699 0.762 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -7.805 16.975 0.728 1.00 0.00 N ATOM 0 H ARG A 120 -6.475 9.669 4.914 1.00 0.00 H new ATOM 0 HA ARG A 120 -9.009 11.039 4.928 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.799 12.190 4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.468 11.449 3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -8.484 12.621 2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.712 13.417 3.897 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -6.426 14.420 3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -6.239 13.654 2.133 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.591 15.434 2.500 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -5.365 14.915 1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.495 16.281 0.027 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.742 17.175 1.079 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -7.401 17.556 -0.007 1.00 0.00 H new ATOM 1943 N PHE A 121 -8.135 9.151 2.387 1.00 0.00 N ATOM 1944 CA PHE A 121 -8.557 8.606 1.098 1.00 0.00 C ATOM 1945 C PHE A 121 -9.937 7.958 1.188 1.00 0.00 C ATOM 1946 O PHE A 121 -10.760 8.118 0.290 1.00 0.00 O ATOM 1947 CB PHE A 121 -7.531 7.592 0.572 1.00 0.00 C ATOM 1948 CG PHE A 121 -7.882 7.032 -0.787 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -7.861 7.845 -1.911 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.240 5.699 -0.936 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -8.188 7.341 -3.154 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -8.570 5.192 -2.178 1.00 0.00 C ATOM 1953 CZ PHE A 121 -8.544 6.013 -3.288 1.00 0.00 C ATOM 0 H PHE A 121 -7.274 8.745 2.752 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.619 9.439 0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -6.553 8.071 0.518 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.445 6.771 1.284 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.586 8.885 -1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.261 5.052 -0.072 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.165 7.985 -4.021 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -8.848 4.154 -2.281 1.00 0.00 H new ATOM 0 HZ PHE A 121 -8.802 5.617 -4.259 1.00 0.00 H new ATOM 1963 N VAL A 122 -10.196 7.236 2.270 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.490 6.574 2.442 1.00 0.00 C ATOM 1965 C VAL A 122 -12.568 7.566 2.894 1.00 0.00 C ATOM 1966 O VAL A 122 -13.744 7.217 2.981 1.00 0.00 O ATOM 1967 CB VAL A 122 -11.405 5.388 3.438 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -10.477 4.299 2.900 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -10.946 5.857 4.817 1.00 0.00 C ATOM 0 H VAL A 122 -9.538 7.092 3.036 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.771 6.176 1.467 1.00 0.00 H new ATOM 0 HB VAL A 122 -12.405 4.967 3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.431 3.476 3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.860 3.933 1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.478 4.711 2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -10.896 5.004 5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -9.960 6.314 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -11.654 6.588 5.207 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.158 8.805 3.172 1.00 0.00 N ATOM 1980 CA LYS A 123 -13.088 9.878 3.542 1.00 0.00 C ATOM 1981 C LYS A 123 -13.057 10.990 2.488 1.00 0.00 C ATOM 1982 O LYS A 123 -13.703 12.030 2.642 1.00 0.00 O ATOM 1983 CB LYS A 123 -12.720 10.456 4.923 1.00 0.00 C ATOM 1984 CG LYS A 123 -12.746 9.430 6.055 1.00 0.00 C ATOM 1985 CD LYS A 123 -12.456 10.063 7.421 1.00 0.00 C ATOM 1986 CE LYS A 123 -11.073 10.707 7.481 1.00 0.00 C ATOM 1987 NZ LYS A 123 -10.750 11.218 8.843 1.00 0.00 N ATOM 0 H LYS A 123 -11.180 9.093 3.148 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.094 9.462 3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -11.724 10.895 4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -13.411 11.264 5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -13.722 8.946 6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -12.010 8.652 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -13.214 10.815 7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -12.533 9.300 8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -10.321 9.978 7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -11.025 11.528 6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -9.802 11.647 8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -11.452 11.933 9.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -10.770 10.431 9.523 1.00 0.00 H new ATOM 2001 N SER A 124 -12.297 10.756 1.421 1.00 0.00 N ATOM 2002 CA SER A 124 -12.083 11.749 0.368 1.00 0.00 C ATOM 2003 C SER A 124 -13.368 12.047 -0.410 1.00 0.00 C ATOM 2004 O SER A 124 -14.278 11.212 -0.473 1.00 0.00 O ATOM 2005 CB SER A 124 -11.012 11.242 -0.609 1.00 0.00 C ATOM 2006 OG SER A 124 -11.464 10.101 -1.326 1.00 0.00 O ATOM 0 H SER A 124 -11.812 9.873 1.261 1.00 0.00 H new ATOM 0 HA SER A 124 -11.757 12.671 0.849 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.752 12.035 -1.310 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.104 10.992 -0.059 1.00 0.00 H new ATOM 0 HG SER A 124 -11.078 9.292 -0.930 1.00 0.00 H new ATOM 2012 N PRO A 125 -13.450 13.241 -1.035 1.00 0.00 N ATOM 2013 CA PRO A 125 -14.529 13.577 -1.974 1.00 0.00 C ATOM 2014 C PRO A 125 -14.331 12.872 -3.324 1.00 0.00 C ATOM 2015 O PRO A 125 -14.560 13.451 -4.385 1.00 0.00 O ATOM 2016 CB PRO A 125 -14.402 15.100 -2.119 1.00 0.00 C ATOM 2017 CG PRO A 125 -12.955 15.373 -1.889 1.00 0.00 C ATOM 2018 CD PRO A 125 -12.506 14.370 -0.858 1.00 0.00 C ATOM 0 HA PRO A 125 -15.512 13.261 -1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -14.717 15.433 -3.108 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -15.025 15.622 -1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -12.386 15.266 -2.812 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -12.801 16.393 -1.536 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -11.474 14.060 -1.023 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -12.557 14.781 0.150 1.00 0.00 H new ATOM 2026 N LEU A 126 -13.909 11.611 -3.261 1.00 0.00 N ATOM 2027 CA LEU A 126 -13.673 10.793 -4.447 1.00 0.00 C ATOM 2028 C LEU A 126 -14.178 9.379 -4.169 1.00 0.00 C ATOM 2029 O LEU A 126 -15.026 8.855 -4.896 1.00 0.00 O ATOM 2030 CB LEU A 126 -12.167 10.796 -4.791 1.00 0.00 C ATOM 2031 CG LEU A 126 -11.761 10.188 -6.152 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -10.362 10.655 -6.546 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -11.806 8.658 -6.119 1.00 0.00 C ATOM 0 H LEU A 126 -13.721 11.127 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 126 -14.210 11.198 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.814 11.827 -4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.638 10.255 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 126 -12.480 10.534 -6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.090 10.218 -7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.350 11.742 -6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.646 10.338 -5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -11.515 8.264 -7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.118 8.290 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -12.818 8.329 -5.883 1.00 0.00 H new ATOM 2045 N TYR A 127 -13.672 8.786 -3.086 1.00 0.00 N ATOM 2046 CA TYR A 127 -14.071 7.441 -2.660 1.00 0.00 C ATOM 2047 C TYR A 127 -15.596 7.327 -2.591 1.00 0.00 C ATOM 2048 O TYR A 127 -16.182 6.355 -3.070 1.00 0.00 O ATOM 2049 CB TYR A 127 -13.443 7.132 -1.291 1.00 0.00 C ATOM 2050 CG TYR A 127 -13.760 5.751 -0.741 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -13.129 4.620 -1.245 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -14.685 5.582 0.287 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -13.408 3.363 -0.743 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -14.966 4.329 0.796 1.00 0.00 C ATOM 2055 CZ TYR A 127 -14.326 3.223 0.279 1.00 0.00 C ATOM 2056 OH TYR A 127 -14.606 1.972 0.786 1.00 0.00 O ATOM 0 H TYR A 127 -12.976 9.222 -2.481 1.00 0.00 H new ATOM 0 HA TYR A 127 -13.714 6.715 -3.390 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -12.361 7.236 -1.372 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -13.782 7.880 -0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -12.408 4.725 -2.043 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -15.191 6.445 0.693 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -12.910 2.494 -1.148 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -15.684 4.216 1.595 1.00 0.00 H new ATOM 0 HH TYR A 127 -13.909 1.342 0.506 1.00 0.00 H new ATOM 2066 N ARG A 128 -16.225 8.346 -2.012 1.00 0.00 N ATOM 2067 CA ARG A 128 -17.682 8.409 -1.889 1.00 0.00 C ATOM 2068 C ARG A 128 -18.368 8.226 -3.247 1.00 0.00 C ATOM 2069 O ARG A 128 -19.369 7.516 -3.355 1.00 0.00 O ATOM 2070 CB ARG A 128 -18.094 9.769 -1.300 1.00 0.00 C ATOM 2071 CG ARG A 128 -17.648 10.949 -2.164 1.00 0.00 C ATOM 2072 CD ARG A 128 -18.289 12.266 -1.750 1.00 0.00 C ATOM 2073 NE ARG A 128 -18.029 13.320 -2.738 1.00 0.00 N ATOM 2074 CZ ARG A 128 -18.580 14.533 -2.710 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -19.439 14.856 -1.752 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -18.277 15.415 -3.653 1.00 0.00 N ATOM 0 H ARG A 128 -15.742 9.151 -1.615 1.00 0.00 H new ATOM 0 HA ARG A 128 -17.996 7.599 -1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -19.178 9.797 -1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -17.666 9.873 -0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -16.564 11.045 -2.106 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -17.895 10.743 -3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -19.364 12.129 -1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -17.901 12.572 -0.778 1.00 0.00 H new ATOM 0 HE ARG A 128 -17.382 13.109 -3.498 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -19.680 14.175 -1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -19.858 15.786 -1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -17.625 15.164 -4.396 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -18.696 16.345 -3.636 1.00 0.00 H new ATOM 2090 N GLU A 129 -17.812 8.867 -4.274 1.00 0.00 N ATOM 2091 CA GLU A 129 -18.432 8.917 -5.595 1.00 0.00 C ATOM 2092 C GLU A 129 -18.133 7.651 -6.388 1.00 0.00 C ATOM 2093 O GLU A 129 -18.915 7.254 -7.253 1.00 0.00 O ATOM 2094 CB GLU A 129 -17.960 10.172 -6.343 1.00 0.00 C ATOM 2095 CG GLU A 129 -18.475 11.465 -5.712 1.00 0.00 C ATOM 2096 CD GLU A 129 -17.831 12.717 -6.279 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -17.992 12.981 -7.489 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -17.172 13.452 -5.512 1.00 0.00 O ATOM 0 H GLU A 129 -16.923 9.364 -4.213 1.00 0.00 H new ATOM 0 HA GLU A 129 -19.514 8.973 -5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -16.870 10.191 -6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -18.295 10.120 -7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -19.554 11.525 -5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.298 11.430 -4.637 1.00 0.00 H new ATOM 2105 N CYS A 130 -17.005 7.017 -6.088 1.00 0.00 N ATOM 2106 CA CYS A 130 -16.694 5.709 -6.653 1.00 0.00 C ATOM 2107 C CYS A 130 -17.633 4.658 -6.061 1.00 0.00 C ATOM 2108 O CYS A 130 -17.843 3.590 -6.638 1.00 0.00 O ATOM 2109 CB CYS A 130 -15.231 5.345 -6.382 1.00 0.00 C ATOM 2110 SG CYS A 130 -14.049 6.502 -7.109 1.00 0.00 S ATOM 0 H CYS A 130 -16.292 7.386 -5.459 1.00 0.00 H new ATOM 0 HA CYS A 130 -16.839 5.741 -7.733 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -15.070 5.303 -5.305 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -15.036 4.346 -6.773 1.00 0.00 H new ATOM 0 HG CYS A 130 -12.839 6.119 -6.829 1.00 0.00 H new