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 75 SER OG : rot 180:sc= -0.163 USER MOD Set 1.2: A 76 GLN : amide:sc= -1.06 K(o=-1.2,f=-3.6) USER MOD Set 2.1: A 51 GLN : amide:sc= 0.823 K(o=0.87,f=-2.6) USER MOD Set 2.2: A 106 GLN : amide:sc= 0.0485 K(o=0.87,f=-2.3) USER MOD Set 3.1: A 29 THR OG1 : rot -38:sc= 0.306 USER MOD Set 3.2: A 45 LYS NZ :NH3+ -156:sc= 0.329 (180deg=-0.119) USER MOD Set 4.1: A 40 ASN : amide:sc= -3.4 K(o=-3.5,f=-5!) USER MOD Set 4.2: A 113 MET CE :methyl -147:sc= -0.0555 (180deg=-0.12) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.119 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.129 F(o=-1.7,f=-0.13) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0754) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0145 USER MOD Single : A 42 THR OG1 : rot 74:sc= 0.639 USER MOD Single : A 47 CYS SG : rot 78:sc= 0.333 USER MOD Single : A 52 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.29) USER MOD Single : A 56 SER OG : rot -36:sc= 0.404 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.69) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN :FLIP amide:sc= 1.14 F(o=0,f=1.1) USER MOD Single : A 69 TYR OH : rot 66:sc= 1.2 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 74 SER OG : rot 97:sc= 0.0995 USER MOD Single : A 79 SER OG : rot 154:sc= -0.178 USER MOD Single : A 82 ASN : amide:sc= 0.388 K(o=0.39,f=-9.1!) USER MOD Single : A 86 GLN : amide:sc= -1.06 K(o=-1.1,f=-5.6!) USER MOD Single : A 101 MET CE :methyl -121:sc= -6.24! (180deg=-7.53!) USER MOD Single : A 105 GLN : amide:sc= -3.1 K(o=-3.1,f=-11!) USER MOD Single : A 108 GLN : amide:sc= -0.0838 X(o=-0.084,f=-0.12) USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 114 LYS NZ :NH3+ -134:sc= 0.388 (180deg=-0.0465) USER MOD Single : A 117 SER OG : rot -102:sc= 1.27 USER MOD Single : A 118 TYR OH : rot 15:sc= 0.989 USER MOD Single : A 123 LYS NZ :NH3+ 163:sc= -0.9! (180deg=-1.87!) USER MOD Single : A 124 SER OG : rot -176:sc= 0.252 USER MOD Single : A 127 TYR OH : rot 46:sc= 0.25 USER MOD Single : A 130 CYS SG : rot 65:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 8 -13.992 -3.141 -4.951 1.00 0.00 N ATOM 107 CA VAL A 8 -12.900 -2.237 -4.568 1.00 0.00 C ATOM 108 C VAL A 8 -12.904 -1.931 -3.065 1.00 0.00 C ATOM 109 O VAL A 8 -11.934 -1.397 -2.527 1.00 0.00 O ATOM 110 CB VAL A 8 -12.966 -0.908 -5.364 1.00 0.00 C ATOM 111 CG1 VAL A 8 -12.758 -1.161 -6.859 1.00 0.00 C ATOM 112 CG2 VAL A 8 -14.292 -0.190 -5.112 1.00 0.00 C ATOM 0 HA VAL A 8 -11.972 -2.756 -4.810 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.161 -0.262 -5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.808 -0.215 -7.399 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.781 -1.618 -7.018 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.536 -1.830 -7.227 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.316 0.740 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.117 -0.829 -5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.389 0.032 -4.049 1.00 0.00 H new ATOM 122 N ALA A 9 -14.001 -2.282 -2.391 1.00 0.00 N ATOM 123 CA ALA A 9 -14.123 -2.098 -0.944 1.00 0.00 C ATOM 124 C ALA A 9 -13.024 -2.859 -0.191 1.00 0.00 C ATOM 125 O ALA A 9 -12.802 -2.628 0.997 1.00 0.00 O ATOM 126 CB ALA A 9 -15.503 -2.544 -0.470 1.00 0.00 C ATOM 0 H ALA A 9 -14.823 -2.698 -2.828 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.001 -1.037 -0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -15.581 -2.402 0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.269 -1.951 -0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.647 -3.598 -0.708 1.00 0.00 H new ATOM 132 N SER A 10 -12.339 -3.759 -0.898 1.00 0.00 N ATOM 133 CA SER A 10 -11.241 -4.533 -0.327 1.00 0.00 C ATOM 134 C SER A 10 -10.154 -3.617 0.248 1.00 0.00 C ATOM 135 O SER A 10 -9.513 -3.950 1.249 1.00 0.00 O ATOM 136 CB SER A 10 -10.648 -5.459 -1.397 1.00 0.00 C ATOM 137 OG SER A 10 -10.248 -4.725 -2.547 1.00 0.00 O ATOM 0 H SER A 10 -12.530 -3.970 -1.878 1.00 0.00 H new ATOM 0 HA SER A 10 -11.635 -5.135 0.492 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.791 -5.992 -0.986 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.385 -6.211 -1.680 1.00 0.00 H new ATOM 0 HG SER A 10 -9.872 -5.339 -3.212 1.00 0.00 H new ATOM 143 N TRP A 11 -9.960 -2.458 -0.384 1.00 0.00 N ATOM 144 CA TRP A 11 -8.959 -1.492 0.071 1.00 0.00 C ATOM 145 C TRP A 11 -9.273 -1.024 1.492 1.00 0.00 C ATOM 146 O TRP A 11 -8.376 -0.874 2.324 1.00 0.00 O ATOM 147 CB TRP A 11 -8.909 -0.268 -0.851 1.00 0.00 C ATOM 148 CG TRP A 11 -8.779 -0.577 -2.315 1.00 0.00 C ATOM 149 CD1 TRP A 11 -8.175 -1.654 -2.902 1.00 0.00 C ATOM 150 CD2 TRP A 11 -9.259 0.241 -3.380 1.00 0.00 C ATOM 151 NE1 TRP A 11 -8.269 -1.555 -4.272 1.00 0.00 N ATOM 152 CE2 TRP A 11 -8.930 -0.395 -4.587 1.00 0.00 C ATOM 153 CE3 TRP A 11 -9.945 1.453 -3.420 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -9.267 0.147 -5.826 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -10.280 1.994 -4.640 1.00 0.00 C ATOM 156 CH2 TRP A 11 -9.940 1.342 -5.834 1.00 0.00 C ATOM 0 H TRP A 11 -10.482 -2.166 -1.210 1.00 0.00 H new ATOM 0 HA TRP A 11 -7.992 -1.994 0.051 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -9.815 0.319 -0.699 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.069 0.359 -0.552 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.695 -2.462 -2.370 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -7.907 -2.233 -4.943 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.210 1.961 -2.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -9.008 -0.356 -6.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -10.812 2.933 -4.678 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -10.213 1.789 -6.778 1.00 0.00 H new ATOM 167 N ALA A 12 -10.562 -0.812 1.764 1.00 0.00 N ATOM 168 CA ALA A 12 -11.021 -0.299 3.057 1.00 0.00 C ATOM 169 C ALA A 12 -10.800 -1.314 4.181 1.00 0.00 C ATOM 170 O ALA A 12 -11.096 -1.038 5.346 1.00 0.00 O ATOM 171 CB ALA A 12 -12.494 0.094 2.972 1.00 0.00 C ATOM 0 H ALA A 12 -11.314 -0.990 1.098 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.429 0.584 3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.826 0.474 3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.621 0.868 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.088 -0.779 2.702 1.00 0.00 H new ATOM 177 N LEU A 13 -10.286 -2.489 3.826 1.00 0.00 N ATOM 178 CA LEU A 13 -9.982 -3.526 4.806 1.00 0.00 C ATOM 179 C LEU A 13 -8.532 -3.415 5.282 1.00 0.00 C ATOM 180 O LEU A 13 -8.227 -3.715 6.438 1.00 0.00 O ATOM 181 CB LEU A 13 -10.237 -4.917 4.207 1.00 0.00 C ATOM 182 CG LEU A 13 -11.677 -5.175 3.731 1.00 0.00 C ATOM 183 CD1 LEU A 13 -11.804 -6.573 3.129 1.00 0.00 C ATOM 184 CD2 LEU A 13 -12.670 -4.986 4.879 1.00 0.00 C ATOM 0 H LEU A 13 -10.071 -2.746 2.863 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.638 -3.386 5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.562 -5.060 3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.979 -5.668 4.953 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.914 -4.448 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.830 -6.735 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.130 -6.665 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.543 -7.318 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.682 -5.173 4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.435 -5.685 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.602 -3.965 5.255 1.00 0.00 H new ATOM 196 N SER A 14 -7.639 -2.985 4.388 1.00 0.00 N ATOM 197 CA SER A 14 -6.215 -2.868 4.712 1.00 0.00 C ATOM 198 C SER A 14 -5.521 -1.863 3.787 1.00 0.00 C ATOM 199 O SER A 14 -5.771 -1.841 2.577 1.00 0.00 O ATOM 200 CB SER A 14 -5.527 -4.237 4.594 1.00 0.00 C ATOM 201 OG SER A 14 -6.117 -5.196 5.462 1.00 0.00 O ATOM 0 H SER A 14 -7.876 -2.712 3.434 1.00 0.00 H new ATOM 0 HA SER A 14 -6.134 -2.510 5.738 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.591 -4.589 3.565 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.468 -4.134 4.831 1.00 0.00 H new ATOM 0 HG SER A 14 -5.657 -6.055 5.361 1.00 0.00 H new ATOM 207 N PHE A 15 -4.635 -1.051 4.363 1.00 0.00 N ATOM 208 CA PHE A 15 -3.880 -0.059 3.597 1.00 0.00 C ATOM 209 C PHE A 15 -2.972 -0.764 2.595 1.00 0.00 C ATOM 210 O PHE A 15 -2.846 -0.334 1.455 1.00 0.00 O ATOM 211 CB PHE A 15 -3.054 0.836 4.536 1.00 0.00 C ATOM 212 CG PHE A 15 -2.248 1.906 3.830 1.00 0.00 C ATOM 213 CD1 PHE A 15 -2.808 2.660 2.806 1.00 0.00 C ATOM 214 CD2 PHE A 15 -0.937 2.167 4.202 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.077 3.646 2.169 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.203 3.151 3.567 1.00 0.00 C ATOM 217 CZ PHE A 15 -0.773 3.890 2.550 1.00 0.00 C ATOM 0 H PHE A 15 -4.422 -1.061 5.360 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.581 0.576 3.055 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.727 1.315 5.247 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.375 0.208 5.113 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.828 2.473 2.504 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.484 1.594 4.998 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.526 4.224 1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.817 3.342 3.867 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.199 4.658 2.053 1.00 0.00 H new ATOM 227 N GLU A 16 -2.356 -1.853 3.045 1.00 0.00 N ATOM 228 CA GLU A 16 -1.537 -2.711 2.193 1.00 0.00 C ATOM 229 C GLU A 16 -2.295 -3.084 0.918 1.00 0.00 C ATOM 230 O GLU A 16 -1.767 -2.967 -0.185 1.00 0.00 O ATOM 231 CB GLU A 16 -1.129 -3.967 2.993 1.00 0.00 C ATOM 232 CG GLU A 16 -0.268 -4.984 2.240 1.00 0.00 C ATOM 233 CD GLU A 16 -1.077 -5.918 1.349 1.00 0.00 C ATOM 234 OE1 GLU A 16 -1.997 -6.590 1.864 1.00 0.00 O ATOM 235 OE2 GLU A 16 -0.782 -6.002 0.137 1.00 0.00 O ATOM 0 H GLU A 16 -2.411 -2.167 4.014 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.637 -2.177 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.587 -3.648 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.035 -4.468 3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.460 -4.451 1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.294 -5.578 2.961 1.00 0.00 H new ATOM 242 N ARG A 17 -3.551 -3.504 1.085 1.00 0.00 N ATOM 243 CA ARG A 17 -4.391 -3.912 -0.041 1.00 0.00 C ATOM 244 C ARG A 17 -4.522 -2.777 -1.056 1.00 0.00 C ATOM 245 O ARG A 17 -4.400 -2.997 -2.260 1.00 0.00 O ATOM 246 CB ARG A 17 -5.779 -4.338 0.460 1.00 0.00 C ATOM 247 CG ARG A 17 -6.724 -4.850 -0.630 1.00 0.00 C ATOM 248 CD ARG A 17 -6.241 -6.156 -1.262 1.00 0.00 C ATOM 249 NE ARG A 17 -5.151 -5.958 -2.225 1.00 0.00 N ATOM 250 CZ ARG A 17 -4.202 -6.866 -2.480 1.00 0.00 C ATOM 251 NH1 ARG A 17 -4.104 -7.964 -1.743 1.00 0.00 N ATOM 252 NH2 ARG A 17 -3.334 -6.662 -3.459 1.00 0.00 N ATOM 0 H ARG A 17 -4.009 -3.570 1.994 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.917 -4.761 -0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.655 -5.119 1.211 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.247 -3.489 0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.716 -5.002 -0.204 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.823 -4.091 -1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.905 -6.832 -0.475 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.078 -6.642 -1.764 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.115 -5.073 -2.731 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.755 -8.122 -0.974 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.377 -8.651 -1.945 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.388 -5.812 -4.020 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.611 -7.355 -3.652 1.00 0.00 H new ATOM 266 N LEU A 18 -4.771 -1.568 -0.556 1.00 0.00 N ATOM 267 CA LEU A 18 -4.868 -0.375 -1.403 1.00 0.00 C ATOM 268 C LEU A 18 -3.517 -0.044 -2.034 1.00 0.00 C ATOM 269 O LEU A 18 -3.416 0.246 -3.226 1.00 0.00 O ATOM 270 CB LEU A 18 -5.334 0.830 -0.566 1.00 0.00 C ATOM 271 CG LEU A 18 -5.291 2.189 -1.291 1.00 0.00 C ATOM 272 CD1 LEU A 18 -6.346 2.252 -2.388 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.456 3.344 -0.306 1.00 0.00 C ATOM 0 H LEU A 18 -4.910 -1.386 0.438 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.590 -0.582 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.355 0.647 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.713 0.893 0.328 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.311 2.289 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.296 3.221 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.163 1.461 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.335 2.120 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.422 4.290 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.414 3.252 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.650 3.315 0.427 1.00 0.00 H new ATOM 285 N LEU A 19 -2.487 -0.112 -1.209 1.00 0.00 N ATOM 286 CA LEU A 19 -1.159 0.372 -1.557 1.00 0.00 C ATOM 287 C LEU A 19 -0.434 -0.617 -2.465 1.00 0.00 C ATOM 288 O LEU A 19 0.581 -0.288 -3.077 1.00 0.00 O ATOM 289 CB LEU A 19 -0.362 0.613 -0.266 1.00 0.00 C ATOM 290 CG LEU A 19 0.938 1.409 -0.430 1.00 0.00 C ATOM 291 CD1 LEU A 19 0.665 2.774 -1.056 1.00 0.00 C ATOM 292 CD2 LEU A 19 1.651 1.568 0.906 1.00 0.00 C ATOM 0 H LEU A 19 -2.547 -0.508 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.252 1.308 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.002 1.139 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.122 -0.353 0.178 1.00 0.00 H new ATOM 0 HG LEU A 19 1.590 0.849 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.603 3.320 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.210 2.640 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.013 3.339 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.570 2.136 0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.002 2.097 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.892 0.584 1.309 1.00 0.00 H new ATOM 304 N GLN A 20 -0.955 -1.834 -2.537 1.00 0.00 N ATOM 305 CA GLN A 20 -0.401 -2.857 -3.420 1.00 0.00 C ATOM 306 C GLN A 20 -1.310 -3.060 -4.637 1.00 0.00 C ATOM 307 O GLN A 20 -1.010 -3.858 -5.528 1.00 0.00 O ATOM 308 CB GLN A 20 -0.224 -4.177 -2.652 1.00 0.00 C ATOM 309 CG GLN A 20 0.550 -5.249 -3.417 1.00 0.00 C ATOM 310 CD GLN A 20 1.963 -4.821 -3.793 1.00 0.00 C ATOM 311 OE1 GLN A 20 2.587 -3.997 -2.960 1.00 0.00 O flip ATOM 312 NE2 GLN A 20 2.495 -5.239 -4.822 1.00 0.00 N flip ATOM 0 H GLN A 20 -1.763 -2.140 -1.994 1.00 0.00 H new ATOM 0 HA GLN A 20 0.576 -2.526 -3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.292 -3.972 -1.714 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.208 -4.569 -2.395 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.601 -6.153 -2.810 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.002 -5.505 -4.324 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.985 -5.871 -5.439 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.445 -4.953 -5.057 1.00 0.00 H new ATOM 321 N ASP A 21 -2.418 -2.325 -4.674 1.00 0.00 N ATOM 322 CA ASP A 21 -3.386 -2.448 -5.762 1.00 0.00 C ATOM 323 C ASP A 21 -3.100 -1.401 -6.838 1.00 0.00 C ATOM 324 O ASP A 21 -2.995 -0.214 -6.532 1.00 0.00 O ATOM 325 CB ASP A 21 -4.817 -2.279 -5.232 1.00 0.00 C ATOM 326 CG ASP A 21 -5.870 -2.639 -6.270 1.00 0.00 C ATOM 327 OD1 ASP A 21 -6.183 -1.794 -7.129 1.00 0.00 O ATOM 328 OD2 ASP A 21 -6.390 -3.776 -6.229 1.00 0.00 O ATOM 0 H ASP A 21 -2.669 -1.638 -3.963 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.293 -3.443 -6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.951 -2.906 -4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.963 -1.247 -4.914 1.00 0.00 H new ATOM 333 N PRO A 22 -2.959 -1.827 -8.109 1.00 0.00 N ATOM 334 CA PRO A 22 -2.658 -0.913 -9.223 1.00 0.00 C ATOM 335 C PRO A 22 -3.719 0.176 -9.388 1.00 0.00 C ATOM 336 O PRO A 22 -3.395 1.343 -9.605 1.00 0.00 O ATOM 337 CB PRO A 22 -2.630 -1.837 -10.454 1.00 0.00 C ATOM 338 CG PRO A 22 -2.383 -3.201 -9.904 1.00 0.00 C ATOM 339 CD PRO A 22 -3.064 -3.228 -8.563 1.00 0.00 C ATOM 0 HA PRO A 22 -1.725 -0.373 -9.063 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.572 -1.796 -11.000 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.845 -1.544 -11.151 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.787 -3.969 -10.564 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.315 -3.396 -9.805 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.102 -3.549 -8.644 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.571 -3.914 -7.874 1.00 0.00 H new ATOM 347 N LEU A 23 -4.986 -0.211 -9.261 1.00 0.00 N ATOM 348 CA LEU A 23 -6.101 0.717 -9.450 1.00 0.00 C ATOM 349 C LEU A 23 -6.169 1.667 -8.254 1.00 0.00 C ATOM 350 O LEU A 23 -6.373 2.878 -8.410 1.00 0.00 O ATOM 351 CB LEU A 23 -7.415 -0.076 -9.618 1.00 0.00 C ATOM 352 CG LEU A 23 -8.607 0.674 -10.259 1.00 0.00 C ATOM 353 CD1 LEU A 23 -9.698 -0.313 -10.670 1.00 0.00 C ATOM 354 CD2 LEU A 23 -9.188 1.723 -9.311 1.00 0.00 C ATOM 0 H LEU A 23 -5.268 -1.163 -9.027 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.951 1.309 -10.353 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.204 -0.958 -10.223 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.726 -0.430 -8.635 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.232 1.188 -11.144 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.530 0.230 -11.119 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.294 -1.021 -11.393 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.050 -0.853 -9.791 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.023 2.229 -9.796 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.538 1.237 -8.400 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.418 2.453 -9.060 1.00 0.00 H new ATOM 366 N GLY A 24 -5.976 1.103 -7.063 1.00 0.00 N ATOM 367 CA GLY A 24 -5.943 1.896 -5.850 1.00 0.00 C ATOM 368 C GLY A 24 -4.847 2.940 -5.896 1.00 0.00 C ATOM 369 O GLY A 24 -5.124 4.140 -5.837 1.00 0.00 O ATOM 0 H GLY A 24 -5.841 0.102 -6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.907 2.385 -5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.788 1.242 -4.992 1.00 0.00 H new ATOM 373 N LEU A 25 -3.604 2.475 -6.014 1.00 0.00 N ATOM 374 CA LEU A 25 -2.445 3.360 -6.152 1.00 0.00 C ATOM 375 C LEU A 25 -2.654 4.396 -7.251 1.00 0.00 C ATOM 376 O LEU A 25 -2.221 5.536 -7.111 1.00 0.00 O ATOM 377 CB LEU A 25 -1.163 2.553 -6.436 1.00 0.00 C ATOM 378 CG LEU A 25 -0.301 2.231 -5.207 1.00 0.00 C ATOM 379 CD1 LEU A 25 0.930 1.421 -5.607 1.00 0.00 C ATOM 380 CD2 LEU A 25 0.108 3.519 -4.495 1.00 0.00 C ATOM 0 H LEU A 25 -3.371 1.482 -6.017 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.332 3.885 -5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.443 1.616 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.555 3.109 -7.150 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.893 1.628 -4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.526 1.204 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.615 0.486 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.528 1.994 -6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.719 3.276 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.682 4.146 -5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.784 4.056 -4.173 1.00 0.00 H new ATOM 392 N ALA A 26 -3.316 3.998 -8.336 1.00 0.00 N ATOM 393 CA ALA A 26 -3.544 4.893 -9.467 1.00 0.00 C ATOM 394 C ALA A 26 -4.231 6.183 -9.016 1.00 0.00 C ATOM 395 O ALA A 26 -3.642 7.268 -9.077 1.00 0.00 O ATOM 396 CB ALA A 26 -4.368 4.196 -10.545 1.00 0.00 C ATOM 0 H ALA A 26 -3.703 3.062 -8.455 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.574 5.157 -9.889 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.527 4.879 -11.379 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.835 3.312 -10.896 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.331 3.898 -10.131 1.00 0.00 H new ATOM 402 N TYR A 27 -5.462 6.058 -8.529 1.00 0.00 N ATOM 403 CA TYR A 27 -6.241 7.228 -8.119 1.00 0.00 C ATOM 404 C TYR A 27 -5.689 7.837 -6.830 1.00 0.00 C ATOM 405 O TYR A 27 -5.718 9.060 -6.643 1.00 0.00 O ATOM 406 CB TYR A 27 -7.725 6.865 -7.957 1.00 0.00 C ATOM 407 CG TYR A 27 -8.414 6.555 -9.275 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.444 7.498 -10.298 1.00 0.00 C ATOM 409 CD2 TYR A 27 -9.034 5.330 -9.499 1.00 0.00 C ATOM 410 CE1 TYR A 27 -9.067 7.230 -11.500 1.00 0.00 C ATOM 411 CE2 TYR A 27 -9.660 5.055 -10.700 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.673 6.007 -11.697 1.00 0.00 C ATOM 413 OH TYR A 27 -10.298 5.741 -12.896 1.00 0.00 O ATOM 0 H TYR A 27 -5.941 5.166 -8.408 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.155 7.978 -8.906 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.811 6.001 -7.298 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.243 7.691 -7.469 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.971 8.457 -10.149 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.026 4.581 -8.721 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.080 7.974 -12.282 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.137 4.099 -10.857 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.674 4.836 -12.875 1.00 0.00 H new ATOM 423 N PHE A 28 -5.162 6.984 -5.959 1.00 0.00 N ATOM 424 CA PHE A 28 -4.584 7.433 -4.697 1.00 0.00 C ATOM 425 C PHE A 28 -3.392 8.350 -4.956 1.00 0.00 C ATOM 426 O PHE A 28 -3.247 9.388 -4.315 1.00 0.00 O ATOM 427 CB PHE A 28 -4.170 6.225 -3.839 1.00 0.00 C ATOM 428 CG PHE A 28 -3.565 6.586 -2.504 1.00 0.00 C ATOM 429 CD1 PHE A 28 -4.199 7.488 -1.660 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.366 6.021 -2.092 1.00 0.00 C ATOM 431 CE1 PHE A 28 -3.650 7.819 -0.438 1.00 0.00 C ATOM 432 CE2 PHE A 28 -1.814 6.349 -0.868 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.457 7.249 -0.040 1.00 0.00 C ATOM 0 H PHE A 28 -5.123 5.975 -6.104 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.336 7.999 -4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.045 5.598 -3.670 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.452 5.626 -4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.134 7.936 -1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.859 5.317 -2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.153 8.524 0.207 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.881 5.902 -0.559 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.027 7.506 0.917 1.00 0.00 H new ATOM 443 N THR A 29 -2.558 7.981 -5.925 1.00 0.00 N ATOM 444 CA THR A 29 -1.379 8.770 -6.254 1.00 0.00 C ATOM 445 C THR A 29 -1.773 9.994 -7.088 1.00 0.00 C ATOM 446 O THR A 29 -0.998 10.945 -7.213 1.00 0.00 O ATOM 447 CB THR A 29 -0.309 7.927 -7.006 1.00 0.00 C ATOM 448 OG1 THR A 29 0.986 8.534 -6.879 1.00 0.00 O ATOM 449 CG2 THR A 29 -0.644 7.778 -8.488 1.00 0.00 C ATOM 0 H THR A 29 -2.678 7.143 -6.493 1.00 0.00 H new ATOM 0 HA THR A 29 -0.935 9.104 -5.316 1.00 0.00 H new ATOM 0 HB THR A 29 -0.303 6.937 -6.550 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.897 9.509 -6.932 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.127 7.183 -8.977 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.608 7.281 -8.595 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.691 8.764 -8.951 1.00 0.00 H new ATOM 457 N GLU A 30 -2.979 9.959 -7.668 1.00 0.00 N ATOM 458 CA GLU A 30 -3.508 11.103 -8.413 1.00 0.00 C ATOM 459 C GLU A 30 -3.702 12.310 -7.502 1.00 0.00 C ATOM 460 O GLU A 30 -2.984 13.307 -7.619 1.00 0.00 O ATOM 461 CB GLU A 30 -4.838 10.754 -9.104 1.00 0.00 C ATOM 462 CG GLU A 30 -4.687 9.846 -10.317 1.00 0.00 C ATOM 463 CD GLU A 30 -3.928 10.506 -11.456 1.00 0.00 C ATOM 464 OE1 GLU A 30 -2.678 10.430 -11.475 1.00 0.00 O ATOM 465 OE2 GLU A 30 -4.578 11.097 -12.342 1.00 0.00 O ATOM 0 H GLU A 30 -3.603 9.153 -7.635 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.774 11.355 -9.178 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.495 10.271 -8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.328 11.677 -9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.168 8.935 -10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.675 9.550 -10.669 1.00 0.00 H new ATOM 472 N PHE A 31 -4.651 12.213 -6.574 1.00 0.00 N ATOM 473 CA PHE A 31 -5.023 13.368 -5.759 1.00 0.00 C ATOM 474 C PHE A 31 -4.068 13.556 -4.577 1.00 0.00 C ATOM 475 O PHE A 31 -4.235 14.483 -3.791 1.00 0.00 O ATOM 476 CB PHE A 31 -6.486 13.273 -5.287 1.00 0.00 C ATOM 477 CG PHE A 31 -6.751 12.277 -4.189 1.00 0.00 C ATOM 478 CD1 PHE A 31 -6.568 12.617 -2.855 1.00 0.00 C ATOM 479 CD2 PHE A 31 -7.212 11.010 -4.493 1.00 0.00 C ATOM 480 CE1 PHE A 31 -6.832 11.711 -1.850 1.00 0.00 C ATOM 481 CE2 PHE A 31 -7.481 10.103 -3.496 1.00 0.00 C ATOM 482 CZ PHE A 31 -7.291 10.452 -2.171 1.00 0.00 C ATOM 0 H PHE A 31 -5.170 11.360 -6.369 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.936 14.252 -6.391 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.803 14.258 -4.944 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.110 13.017 -6.144 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.214 13.605 -2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.362 10.730 -5.525 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.680 11.986 -0.817 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.841 9.116 -3.747 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.502 9.738 -1.389 1.00 0.00 H new ATOM 492 N LEU A 32 -3.083 12.666 -4.450 1.00 0.00 N ATOM 493 CA LEU A 32 -2.024 12.816 -3.445 1.00 0.00 C ATOM 494 C LEU A 32 -0.806 13.523 -4.053 1.00 0.00 C ATOM 495 O LEU A 32 0.060 14.029 -3.339 1.00 0.00 O ATOM 496 CB LEU A 32 -1.630 11.438 -2.885 1.00 0.00 C ATOM 497 CG LEU A 32 -0.521 11.424 -1.818 1.00 0.00 C ATOM 498 CD1 LEU A 32 -0.891 12.281 -0.613 1.00 0.00 C ATOM 499 CD2 LEU A 32 -0.213 9.991 -1.387 1.00 0.00 C ATOM 0 H LEU A 32 -2.994 11.832 -5.030 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.399 13.429 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.520 10.975 -2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.312 10.810 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 32 0.375 11.855 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.084 12.247 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.047 13.311 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.807 11.899 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.573 9.999 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.111 9.535 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.119 9.415 -2.251 1.00 0.00 H new ATOM 511 N LYS A 33 -0.740 13.552 -5.384 1.00 0.00 N ATOM 512 CA LYS A 33 0.343 14.246 -6.082 1.00 0.00 C ATOM 513 C LYS A 33 -0.194 15.529 -6.724 1.00 0.00 C ATOM 514 O LYS A 33 0.478 16.167 -7.536 1.00 0.00 O ATOM 515 CB LYS A 33 0.985 13.319 -7.134 1.00 0.00 C ATOM 516 CG LYS A 33 2.311 13.836 -7.697 1.00 0.00 C ATOM 517 CD LYS A 33 3.045 12.772 -8.518 1.00 0.00 C ATOM 518 CE LYS A 33 2.264 12.349 -9.761 1.00 0.00 C ATOM 519 NZ LYS A 33 2.074 13.470 -10.720 1.00 0.00 N ATOM 0 H LYS A 33 -1.420 13.105 -5.999 1.00 0.00 H new ATOM 0 HA LYS A 33 1.117 14.519 -5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.150 12.339 -6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.283 13.180 -7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.123 14.709 -8.322 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.949 14.163 -6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.019 13.158 -8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.228 11.898 -7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.791 11.535 -10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.290 11.962 -9.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.661 13.106 -11.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.435 14.178 -10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.993 13.911 -10.925 1.00 0.00 H new ATOM 533 N LYS A 34 -1.407 15.909 -6.335 1.00 0.00 N ATOM 534 CA LYS A 34 -2.032 17.134 -6.828 1.00 0.00 C ATOM 535 C LYS A 34 -1.434 18.338 -6.105 1.00 0.00 C ATOM 536 O LYS A 34 -1.167 19.381 -6.705 1.00 0.00 O ATOM 537 CB LYS A 34 -3.550 17.077 -6.609 1.00 0.00 C ATOM 538 CG LYS A 34 -4.302 18.323 -7.087 1.00 0.00 C ATOM 539 CD LYS A 34 -5.045 19.025 -5.950 1.00 0.00 C ATOM 540 CE LYS A 34 -6.088 18.116 -5.307 1.00 0.00 C ATOM 541 NZ LYS A 34 -6.879 18.824 -4.267 1.00 0.00 N ATOM 0 H LYS A 34 -1.981 15.383 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.842 17.231 -7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.948 16.205 -7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.747 16.933 -5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.596 19.019 -7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.014 18.040 -7.863 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.330 19.349 -5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.532 19.922 -6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.760 17.734 -6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.592 17.254 -4.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.576 18.170 -3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.242 19.166 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.374 19.632 -4.697 1.00 0.00 H new ATOM 555 N GLU A 35 -1.222 18.169 -4.808 1.00 0.00 N ATOM 556 CA GLU A 35 -0.579 19.180 -3.976 1.00 0.00 C ATOM 557 C GLU A 35 0.861 18.771 -3.684 1.00 0.00 C ATOM 558 O GLU A 35 1.546 19.402 -2.873 1.00 0.00 O ATOM 559 CB GLU A 35 -1.353 19.399 -2.661 1.00 0.00 C ATOM 560 CG GLU A 35 -1.514 18.150 -1.792 1.00 0.00 C ATOM 561 CD GLU A 35 -2.544 17.174 -2.340 1.00 0.00 C ATOM 562 OE1 GLU A 35 -3.748 17.362 -2.067 1.00 0.00 O ATOM 563 OE2 GLU A 35 -2.151 16.230 -3.057 1.00 0.00 O ATOM 0 H GLU A 35 -1.491 17.326 -4.300 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.580 20.123 -4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.841 20.165 -2.079 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.343 19.788 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.551 17.645 -1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.805 18.450 -0.785 1.00 0.00 H new ATOM 570 N PHE A 36 1.292 17.701 -4.352 1.00 0.00 N ATOM 571 CA PHE A 36 2.660 17.201 -4.257 1.00 0.00 C ATOM 572 C PHE A 36 2.920 16.679 -2.849 1.00 0.00 C ATOM 573 O PHE A 36 3.505 17.369 -2.012 1.00 0.00 O ATOM 574 CB PHE A 36 3.671 18.297 -4.649 1.00 0.00 C ATOM 575 CG PHE A 36 5.084 17.800 -4.852 1.00 0.00 C ATOM 576 CD1 PHE A 36 5.413 17.053 -5.976 1.00 0.00 C ATOM 577 CD2 PHE A 36 6.082 18.089 -3.930 1.00 0.00 C ATOM 578 CE1 PHE A 36 6.707 16.605 -6.175 1.00 0.00 C ATOM 579 CE2 PHE A 36 7.377 17.643 -4.125 1.00 0.00 C ATOM 580 CZ PHE A 36 7.688 16.899 -5.250 1.00 0.00 C ATOM 0 H PHE A 36 0.698 17.156 -4.977 1.00 0.00 H new ATOM 0 HA PHE A 36 2.789 16.376 -4.958 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.332 18.775 -5.568 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.676 19.063 -3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.650 16.819 -6.703 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.844 18.669 -3.050 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.949 16.026 -7.054 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.144 17.875 -3.401 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.698 16.549 -5.404 1.00 0.00 H new ATOM 590 N SER A 37 2.396 15.483 -2.580 1.00 0.00 N ATOM 591 CA SER A 37 2.546 14.838 -1.283 1.00 0.00 C ATOM 592 C SER A 37 2.599 13.312 -1.442 1.00 0.00 C ATOM 593 O SER A 37 2.505 12.572 -0.462 1.00 0.00 O ATOM 594 CB SER A 37 1.374 15.237 -0.374 1.00 0.00 C ATOM 595 OG SER A 37 1.279 16.646 -0.250 1.00 0.00 O ATOM 0 H SER A 37 1.858 14.939 -3.255 1.00 0.00 H new ATOM 0 HA SER A 37 3.482 15.166 -0.830 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.443 14.841 -0.781 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.506 14.790 0.612 1.00 0.00 H new ATOM 0 HG SER A 37 0.524 16.873 0.332 1.00 0.00 H new ATOM 601 N ALA A 38 2.773 12.851 -2.682 1.00 0.00 N ATOM 602 CA ALA A 38 2.762 11.418 -2.993 1.00 0.00 C ATOM 603 C ALA A 38 4.167 10.832 -2.943 1.00 0.00 C ATOM 604 O ALA A 38 4.357 9.627 -3.111 1.00 0.00 O ATOM 605 CB ALA A 38 2.143 11.182 -4.367 1.00 0.00 C ATOM 0 H ALA A 38 2.924 13.452 -3.492 1.00 0.00 H new ATOM 0 HA ALA A 38 2.159 10.914 -2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.141 10.114 -4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.119 11.556 -4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.726 11.707 -5.124 1.00 0.00 H new ATOM 611 N GLU A 39 5.138 11.691 -2.680 1.00 0.00 N ATOM 612 CA GLU A 39 6.549 11.308 -2.697 1.00 0.00 C ATOM 613 C GLU A 39 6.812 10.160 -1.723 1.00 0.00 C ATOM 614 O GLU A 39 7.682 9.318 -1.954 1.00 0.00 O ATOM 615 CB GLU A 39 7.446 12.510 -2.349 1.00 0.00 C ATOM 616 CG GLU A 39 7.268 13.721 -3.269 1.00 0.00 C ATOM 617 CD GLU A 39 5.931 14.424 -3.074 1.00 0.00 C ATOM 618 OE1 GLU A 39 5.792 15.162 -2.081 1.00 0.00 O ATOM 619 OE2 GLU A 39 5.004 14.208 -3.892 1.00 0.00 O ATOM 0 H GLU A 39 4.976 12.671 -2.449 1.00 0.00 H new ATOM 0 HA GLU A 39 6.791 10.972 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.241 12.816 -1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.488 12.192 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.075 14.430 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.355 13.398 -4.306 1.00 0.00 H new ATOM 626 N ASN A 40 6.032 10.120 -0.646 1.00 0.00 N ATOM 627 CA ASN A 40 6.191 9.096 0.383 1.00 0.00 C ATOM 628 C ASN A 40 5.780 7.718 -0.148 1.00 0.00 C ATOM 629 O ASN A 40 6.506 6.739 0.031 1.00 0.00 O ATOM 630 CB ASN A 40 5.384 9.461 1.641 1.00 0.00 C ATOM 631 CG ASN A 40 3.886 9.506 1.397 1.00 0.00 C ATOM 632 OD1 ASN A 40 3.190 8.509 1.556 1.00 0.00 O ATOM 633 ND2 ASN A 40 3.377 10.665 1.007 1.00 0.00 N ATOM 0 H ASN A 40 5.282 10.786 -0.463 1.00 0.00 H new ATOM 0 HA ASN A 40 7.245 9.050 0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.596 8.734 2.425 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.715 10.432 2.009 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.376 10.748 0.829 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.986 11.474 0.885 1.00 0.00 H new ATOM 640 N VAL A 41 4.629 7.641 -0.821 1.00 0.00 N ATOM 641 CA VAL A 41 4.165 6.375 -1.374 1.00 0.00 C ATOM 642 C VAL A 41 5.016 5.986 -2.576 1.00 0.00 C ATOM 643 O VAL A 41 5.255 4.808 -2.809 1.00 0.00 O ATOM 644 CB VAL A 41 2.663 6.400 -1.773 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.788 6.704 -0.560 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.394 7.398 -2.899 1.00 0.00 C ATOM 0 H VAL A 41 4.010 8.433 -0.993 1.00 0.00 H new ATOM 0 HA VAL A 41 4.271 5.630 -0.585 1.00 0.00 H new ATOM 0 HB VAL A 41 2.406 5.409 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.740 6.717 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.938 5.936 0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.060 7.677 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.333 7.386 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.679 8.399 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.977 7.122 -3.777 1.00 0.00 H new ATOM 656 N THR A 42 5.483 6.986 -3.323 1.00 0.00 N ATOM 657 CA THR A 42 6.386 6.755 -4.447 1.00 0.00 C ATOM 658 C THR A 42 7.705 6.157 -3.951 1.00 0.00 C ATOM 659 O THR A 42 8.277 5.264 -4.584 1.00 0.00 O ATOM 660 CB THR A 42 6.645 8.067 -5.223 1.00 0.00 C ATOM 661 OG1 THR A 42 5.392 8.619 -5.650 1.00 0.00 O ATOM 662 CG2 THR A 42 7.538 7.825 -6.438 1.00 0.00 C ATOM 0 H THR A 42 5.249 7.967 -3.168 1.00 0.00 H new ATOM 0 HA THR A 42 5.914 6.047 -5.128 1.00 0.00 H new ATOM 0 HB THR A 42 7.157 8.765 -4.560 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.923 9.001 -4.879 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.702 8.766 -6.963 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.496 7.421 -6.111 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.055 7.115 -7.109 1.00 0.00 H new ATOM 670 N PHE A 43 8.169 6.650 -2.803 1.00 0.00 N ATOM 671 CA PHE A 43 9.316 6.066 -2.112 1.00 0.00 C ATOM 672 C PHE A 43 9.045 4.594 -1.824 1.00 0.00 C ATOM 673 O PHE A 43 9.871 3.725 -2.109 1.00 0.00 O ATOM 674 CB PHE A 43 9.584 6.831 -0.803 1.00 0.00 C ATOM 675 CG PHE A 43 10.523 6.136 0.154 1.00 0.00 C ATOM 676 CD1 PHE A 43 11.895 6.164 -0.047 1.00 0.00 C ATOM 677 CD2 PHE A 43 10.029 5.462 1.265 1.00 0.00 C ATOM 678 CE1 PHE A 43 12.753 5.534 0.837 1.00 0.00 C ATOM 679 CE2 PHE A 43 10.883 4.831 2.148 1.00 0.00 C ATOM 680 CZ PHE A 43 12.246 4.868 1.935 1.00 0.00 C ATOM 0 H PHE A 43 7.764 7.458 -2.330 1.00 0.00 H new ATOM 0 HA PHE A 43 10.199 6.143 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.996 7.810 -1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.634 7.003 -0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.298 6.684 -0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.964 5.431 1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.819 5.563 0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.484 4.309 3.005 1.00 0.00 H new ATOM 0 HZ PHE A 43 12.915 4.377 2.626 1.00 0.00 H new ATOM 690 N TRP A 44 7.862 4.328 -1.280 1.00 0.00 N ATOM 691 CA TRP A 44 7.456 2.973 -0.929 1.00 0.00 C ATOM 692 C TRP A 44 7.348 2.099 -2.187 1.00 0.00 C ATOM 693 O TRP A 44 7.721 0.927 -2.162 1.00 0.00 O ATOM 694 CB TRP A 44 6.121 3.008 -0.166 1.00 0.00 C ATOM 695 CG TRP A 44 5.736 1.689 0.443 1.00 0.00 C ATOM 696 CD1 TRP A 44 6.043 1.242 1.699 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.972 0.651 -0.178 1.00 0.00 C ATOM 698 NE1 TRP A 44 5.516 -0.012 1.893 1.00 0.00 N ATOM 699 CE2 TRP A 44 4.854 -0.398 0.755 1.00 0.00 C ATOM 700 CE3 TRP A 44 4.376 0.510 -1.435 1.00 0.00 C ATOM 701 CZ2 TRP A 44 4.165 -1.573 0.467 1.00 0.00 C ATOM 702 CZ3 TRP A 44 3.692 -0.658 -1.720 1.00 0.00 C ATOM 703 CH2 TRP A 44 3.590 -1.685 -0.772 1.00 0.00 C ATOM 0 H TRP A 44 7.163 5.040 -1.071 1.00 0.00 H new ATOM 0 HA TRP A 44 8.214 2.533 -0.281 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.184 3.757 0.623 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.332 3.327 -0.847 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.615 1.794 2.430 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.603 -0.566 2.745 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.448 1.298 -2.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.086 -2.368 1.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 3.229 -0.780 -2.688 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.047 -2.584 -1.023 1.00 0.00 H new ATOM 714 N LYS A 45 6.853 2.683 -3.287 1.00 0.00 N ATOM 715 CA LYS A 45 6.745 1.968 -4.566 1.00 0.00 C ATOM 716 C LYS A 45 8.119 1.469 -4.994 1.00 0.00 C ATOM 717 O LYS A 45 8.307 0.292 -5.292 1.00 0.00 O ATOM 718 CB LYS A 45 6.192 2.876 -5.681 1.00 0.00 C ATOM 719 CG LYS A 45 4.789 3.431 -5.445 1.00 0.00 C ATOM 720 CD LYS A 45 4.360 4.334 -6.603 1.00 0.00 C ATOM 721 CE LYS A 45 3.096 5.131 -6.297 1.00 0.00 C ATOM 722 NZ LYS A 45 2.717 6.017 -7.435 1.00 0.00 N ATOM 0 H LYS A 45 6.522 3.647 -3.317 1.00 0.00 H new ATOM 0 HA LYS A 45 6.058 1.135 -4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.877 3.713 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.188 2.314 -6.615 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.081 2.609 -5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.768 3.994 -4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.170 5.024 -6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.193 3.724 -7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.277 4.446 -6.080 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.253 5.734 -5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.143 6.809 -7.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.577 6.387 -7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.167 5.473 -8.130 1.00 0.00 H new ATOM 736 N ALA A 46 9.075 2.394 -5.014 1.00 0.00 N ATOM 737 CA ALA A 46 10.438 2.097 -5.437 1.00 0.00 C ATOM 738 C ALA A 46 11.076 1.057 -4.522 1.00 0.00 C ATOM 739 O ALA A 46 11.755 0.142 -4.984 1.00 0.00 O ATOM 740 CB ALA A 46 11.272 3.374 -5.461 1.00 0.00 C ATOM 0 H ALA A 46 8.927 3.365 -4.739 1.00 0.00 H new ATOM 0 HA ALA A 46 10.403 1.683 -6.445 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.288 3.139 -5.778 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.829 4.085 -6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.296 3.812 -4.463 1.00 0.00 H new ATOM 746 N CYS A 47 10.838 1.200 -3.221 1.00 0.00 N ATOM 747 CA CYS A 47 11.391 0.279 -2.232 1.00 0.00 C ATOM 748 C CYS A 47 10.733 -1.101 -2.337 1.00 0.00 C ATOM 749 O CYS A 47 11.369 -2.124 -2.072 1.00 0.00 O ATOM 750 CB CYS A 47 11.227 0.854 -0.823 1.00 0.00 C ATOM 751 SG CYS A 47 12.089 2.423 -0.566 1.00 0.00 S ATOM 0 H CYS A 47 10.265 1.946 -2.827 1.00 0.00 H new ATOM 0 HA CYS A 47 12.455 0.156 -2.435 1.00 0.00 H new ATOM 0 HB2 CYS A 47 10.165 0.997 -0.621 1.00 0.00 H new ATOM 0 HB3 CYS A 47 11.594 0.126 -0.099 1.00 0.00 H new ATOM 0 HG CYS A 47 11.408 3.387 -1.111 1.00 0.00 H new ATOM 757 N GLU A 48 9.465 -1.123 -2.742 1.00 0.00 N ATOM 758 CA GLU A 48 8.749 -2.376 -2.962 1.00 0.00 C ATOM 759 C GLU A 48 9.319 -3.058 -4.205 1.00 0.00 C ATOM 760 O GLU A 48 9.644 -4.245 -4.189 1.00 0.00 O ATOM 761 CB GLU A 48 7.238 -2.103 -3.105 1.00 0.00 C ATOM 762 CG GLU A 48 6.345 -3.346 -3.066 1.00 0.00 C ATOM 763 CD GLU A 48 6.409 -4.185 -4.335 1.00 0.00 C ATOM 764 OE1 GLU A 48 6.250 -3.618 -5.432 1.00 0.00 O ATOM 765 OE2 GLU A 48 6.607 -5.416 -4.241 1.00 0.00 O ATOM 0 H GLU A 48 8.912 -0.285 -2.925 1.00 0.00 H new ATOM 0 HA GLU A 48 8.880 -3.041 -2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.930 -1.428 -2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.067 -1.581 -4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.635 -3.965 -2.217 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.314 -3.037 -2.897 1.00 0.00 H new ATOM 772 N ARG A 49 9.471 -2.279 -5.273 1.00 0.00 N ATOM 773 CA ARG A 49 10.082 -2.764 -6.509 1.00 0.00 C ATOM 774 C ARG A 49 11.544 -3.146 -6.268 1.00 0.00 C ATOM 775 O ARG A 49 12.134 -3.900 -7.042 1.00 0.00 O ATOM 776 CB ARG A 49 9.969 -1.699 -7.619 1.00 0.00 C ATOM 777 CG ARG A 49 8.989 -2.071 -8.731 1.00 0.00 C ATOM 778 CD ARG A 49 7.591 -2.363 -8.193 1.00 0.00 C ATOM 779 NE ARG A 49 6.714 -2.908 -9.235 1.00 0.00 N ATOM 780 CZ ARG A 49 5.919 -3.968 -9.069 1.00 0.00 C ATOM 781 NH1 ARG A 49 5.820 -4.554 -7.883 1.00 0.00 N ATOM 782 NH2 ARG A 49 5.199 -4.429 -10.082 1.00 0.00 N ATOM 0 H ARG A 49 9.177 -1.303 -5.307 1.00 0.00 H new ATOM 0 HA ARG A 49 9.547 -3.655 -6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.657 -0.754 -7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.955 -1.536 -8.055 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.936 -1.257 -9.454 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.362 -2.946 -9.264 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.659 -3.071 -7.367 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.156 -1.447 -7.793 1.00 0.00 H new ATOM 0 HE ARG A 49 6.711 -2.448 -10.145 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.353 -4.195 -7.091 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.211 -5.363 -7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.251 -3.974 -10.993 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.593 -5.239 -9.950 1.00 0.00 H new ATOM 796 N PHE A 50 12.113 -2.610 -5.194 1.00 0.00 N ATOM 797 CA PHE A 50 13.469 -2.949 -4.773 1.00 0.00 C ATOM 798 C PHE A 50 13.495 -4.329 -4.109 1.00 0.00 C ATOM 799 O PHE A 50 14.295 -5.189 -4.475 1.00 0.00 O ATOM 800 CB PHE A 50 14.000 -1.871 -3.814 1.00 0.00 C ATOM 801 CG PHE A 50 15.314 -2.213 -3.159 1.00 0.00 C ATOM 802 CD1 PHE A 50 16.510 -2.051 -3.840 1.00 0.00 C ATOM 803 CD2 PHE A 50 15.348 -2.697 -1.857 1.00 0.00 C ATOM 804 CE1 PHE A 50 17.712 -2.365 -3.237 1.00 0.00 C ATOM 805 CE2 PHE A 50 16.547 -3.011 -1.253 1.00 0.00 C ATOM 806 CZ PHE A 50 17.730 -2.845 -1.945 1.00 0.00 C ATOM 0 H PHE A 50 11.649 -1.930 -4.592 1.00 0.00 H new ATOM 0 HA PHE A 50 14.115 -2.986 -5.650 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.114 -0.937 -4.364 1.00 0.00 H new ATOM 0 HB3 PHE A 50 13.256 -1.694 -3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 50 16.502 -1.675 -4.853 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.425 -2.829 -1.312 1.00 0.00 H new ATOM 0 HE1 PHE A 50 18.638 -2.235 -3.778 1.00 0.00 H new ATOM 0 HE2 PHE A 50 16.561 -3.386 -0.240 1.00 0.00 H new ATOM 0 HZ PHE A 50 18.670 -3.091 -1.474 1.00 0.00 H new ATOM 816 N GLN A 51 12.603 -4.542 -3.141 1.00 0.00 N ATOM 817 CA GLN A 51 12.533 -5.817 -2.422 1.00 0.00 C ATOM 818 C GLN A 51 11.920 -6.905 -3.309 1.00 0.00 C ATOM 819 O GLN A 51 11.944 -8.093 -2.968 1.00 0.00 O ATOM 820 CB GLN A 51 11.723 -5.665 -1.124 1.00 0.00 C ATOM 821 CG GLN A 51 10.257 -5.312 -1.344 1.00 0.00 C ATOM 822 CD GLN A 51 9.483 -5.167 -0.044 1.00 0.00 C ATOM 823 OE1 GLN A 51 9.390 -4.077 0.522 1.00 0.00 O ATOM 824 NE2 GLN A 51 8.930 -6.268 0.443 1.00 0.00 N ATOM 0 H GLN A 51 11.919 -3.850 -2.836 1.00 0.00 H new ATOM 0 HA GLN A 51 13.548 -6.116 -2.162 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.781 -6.597 -0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.184 -4.892 -0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.193 -4.380 -1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.790 -6.084 -1.955 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.030 -7.152 -0.056 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.405 -6.231 1.317 1.00 0.00 H new ATOM 833 N GLN A 52 11.364 -6.484 -4.443 1.00 0.00 N ATOM 834 CA GLN A 52 10.796 -7.403 -5.425 1.00 0.00 C ATOM 835 C GLN A 52 11.914 -8.017 -6.279 1.00 0.00 C ATOM 836 O GLN A 52 11.689 -8.959 -7.045 1.00 0.00 O ATOM 837 CB GLN A 52 9.783 -6.653 -6.308 1.00 0.00 C ATOM 838 CG GLN A 52 8.893 -7.553 -7.159 1.00 0.00 C ATOM 839 CD GLN A 52 8.043 -8.500 -6.324 1.00 0.00 C ATOM 840 OE1 GLN A 52 8.435 -9.637 -6.055 1.00 0.00 O ATOM 841 NE2 GLN A 52 6.884 -8.033 -5.890 1.00 0.00 N ATOM 0 H GLN A 52 11.295 -5.501 -4.706 1.00 0.00 H new ATOM 0 HA GLN A 52 10.278 -8.211 -4.909 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.150 -6.038 -5.669 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.327 -5.975 -6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.241 -6.934 -7.775 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.516 -8.134 -7.839 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.592 -7.086 -6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.282 -8.620 -5.312 1.00 0.00 H new ATOM 850 N ILE A 53 13.121 -7.475 -6.129 1.00 0.00 N ATOM 851 CA ILE A 53 14.294 -7.946 -6.862 1.00 0.00 C ATOM 852 C ILE A 53 14.974 -9.087 -6.096 1.00 0.00 C ATOM 853 O ILE A 53 15.098 -9.020 -4.871 1.00 0.00 O ATOM 854 CB ILE A 53 15.311 -6.790 -7.064 1.00 0.00 C ATOM 855 CG1 ILE A 53 14.643 -5.602 -7.776 1.00 0.00 C ATOM 856 CG2 ILE A 53 16.543 -7.259 -7.843 1.00 0.00 C ATOM 857 CD1 ILE A 53 15.511 -4.360 -7.837 1.00 0.00 C ATOM 0 H ILE A 53 13.313 -6.698 -5.497 1.00 0.00 H new ATOM 0 HA ILE A 53 13.963 -8.307 -7.836 1.00 0.00 H new ATOM 0 HB ILE A 53 15.644 -6.464 -6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.379 -5.900 -8.791 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.712 -5.359 -7.263 1.00 0.00 H new ATOM 0 HG21 ILE A 53 17.234 -6.425 -7.967 1.00 0.00 H new ATOM 0 HG22 ILE A 53 17.036 -8.061 -7.295 1.00 0.00 H new ATOM 0 HG23 ILE A 53 16.236 -7.625 -8.823 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.973 -3.565 -8.353 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.754 -4.036 -6.825 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.431 -4.585 -8.377 1.00 0.00 H new ATOM 869 N PRO A 54 15.412 -10.158 -6.798 1.00 0.00 N ATOM 870 CA PRO A 54 16.144 -11.265 -6.170 1.00 0.00 C ATOM 871 C PRO A 54 17.384 -10.776 -5.417 1.00 0.00 C ATOM 872 O PRO A 54 18.167 -9.980 -5.942 1.00 0.00 O ATOM 873 CB PRO A 54 16.543 -12.153 -7.358 1.00 0.00 C ATOM 874 CG PRO A 54 15.537 -11.840 -8.414 1.00 0.00 C ATOM 875 CD PRO A 54 15.220 -10.380 -8.245 1.00 0.00 C ATOM 0 HA PRO A 54 15.543 -11.786 -5.424 1.00 0.00 H new ATOM 0 HB2 PRO A 54 17.555 -11.932 -7.696 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.520 -13.209 -7.089 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.935 -12.043 -9.408 1.00 0.00 H new ATOM 0 HG3 PRO A 54 14.643 -12.452 -8.298 1.00 0.00 H new ATOM 0 HD2 PRO A 54 15.883 -9.752 -8.840 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.201 -10.151 -8.556 1.00 0.00 H new ATOM 883 N ALA A 55 17.559 -11.269 -4.194 1.00 0.00 N ATOM 884 CA ALA A 55 18.664 -10.850 -3.331 1.00 0.00 C ATOM 885 C ALA A 55 20.019 -11.083 -4.001 1.00 0.00 C ATOM 886 O ALA A 55 20.949 -10.292 -3.839 1.00 0.00 O ATOM 887 CB ALA A 55 18.601 -11.592 -2.000 1.00 0.00 C ATOM 0 H ALA A 55 16.944 -11.966 -3.774 1.00 0.00 H new ATOM 0 HA ALA A 55 18.560 -9.780 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 55 19.428 -11.272 -1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 55 17.656 -11.370 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.674 -12.665 -2.178 1.00 0.00 H new ATOM 893 N SER A 56 20.114 -12.164 -4.772 1.00 0.00 N ATOM 894 CA SER A 56 21.375 -12.562 -5.387 1.00 0.00 C ATOM 895 C SER A 56 21.621 -11.813 -6.702 1.00 0.00 C ATOM 896 O SER A 56 22.630 -12.042 -7.373 1.00 0.00 O ATOM 897 CB SER A 56 21.387 -14.080 -5.620 1.00 0.00 C ATOM 898 OG SER A 56 22.673 -14.544 -6.011 1.00 0.00 O ATOM 0 H SER A 56 19.330 -12.780 -4.985 1.00 0.00 H new ATOM 0 HA SER A 56 22.183 -12.299 -4.705 1.00 0.00 H new ATOM 0 HB2 SER A 56 21.078 -14.590 -4.708 1.00 0.00 H new ATOM 0 HB3 SER A 56 20.659 -14.335 -6.390 1.00 0.00 H new ATOM 0 HG SER A 56 23.104 -13.873 -6.581 1.00 0.00 H new ATOM 904 N ASP A 57 20.705 -10.918 -7.079 1.00 0.00 N ATOM 905 CA ASP A 57 20.889 -10.121 -8.284 1.00 0.00 C ATOM 906 C ASP A 57 21.988 -9.083 -8.056 1.00 0.00 C ATOM 907 O ASP A 57 22.988 -9.054 -8.778 1.00 0.00 O ATOM 908 CB ASP A 57 19.578 -9.437 -8.684 1.00 0.00 C ATOM 909 CG ASP A 57 19.725 -8.633 -9.961 1.00 0.00 C ATOM 910 OD1 ASP A 57 20.174 -7.477 -9.884 1.00 0.00 O ATOM 911 OD2 ASP A 57 19.405 -9.163 -11.048 1.00 0.00 O ATOM 0 H ASP A 57 19.840 -10.732 -6.571 1.00 0.00 H new ATOM 0 HA ASP A 57 21.189 -10.780 -9.099 1.00 0.00 H new ATOM 0 HB2 ASP A 57 18.802 -10.190 -8.817 1.00 0.00 H new ATOM 0 HB3 ASP A 57 19.251 -8.781 -7.878 1.00 0.00 H new ATOM 916 N THR A 58 21.772 -8.222 -7.058 1.00 0.00 N ATOM 917 CA THR A 58 22.768 -7.248 -6.595 1.00 0.00 C ATOM 918 C THR A 58 22.882 -6.040 -7.538 1.00 0.00 C ATOM 919 O THR A 58 23.066 -4.907 -7.087 1.00 0.00 O ATOM 920 CB THR A 58 24.162 -7.906 -6.409 1.00 0.00 C ATOM 921 OG1 THR A 58 24.043 -9.072 -5.577 1.00 0.00 O ATOM 922 CG2 THR A 58 25.161 -6.937 -5.781 1.00 0.00 C ATOM 0 H THR A 58 20.893 -8.180 -6.543 1.00 0.00 H new ATOM 0 HA THR A 58 22.417 -6.888 -5.628 1.00 0.00 H new ATOM 0 HB THR A 58 24.532 -8.186 -7.395 1.00 0.00 H new ATOM 0 HG1 THR A 58 24.925 -9.485 -5.464 1.00 0.00 H new ATOM 0 HG21 THR A 58 26.125 -7.432 -5.666 1.00 0.00 H new ATOM 0 HG22 THR A 58 25.275 -6.065 -6.424 1.00 0.00 H new ATOM 0 HG23 THR A 58 24.796 -6.621 -4.803 1.00 0.00 H new ATOM 930 N GLN A 59 22.729 -6.279 -8.834 1.00 0.00 N ATOM 931 CA GLN A 59 22.906 -5.233 -9.843 1.00 0.00 C ATOM 932 C GLN A 59 21.737 -4.254 -9.788 1.00 0.00 C ATOM 933 O GLN A 59 21.902 -3.073 -9.466 1.00 0.00 O ATOM 934 CB GLN A 59 22.997 -5.861 -11.242 1.00 0.00 C ATOM 935 CG GLN A 59 24.046 -6.962 -11.362 1.00 0.00 C ATOM 936 CD GLN A 59 24.090 -7.595 -12.746 1.00 0.00 C ATOM 937 OE1 GLN A 59 23.813 -6.811 -13.777 1.00 0.00 O flip ATOM 938 NE2 GLN A 59 24.388 -8.783 -12.890 1.00 0.00 N flip ATOM 0 H GLN A 59 22.481 -7.192 -9.216 1.00 0.00 H new ATOM 0 HA GLN A 59 23.831 -4.695 -9.636 1.00 0.00 H new ATOM 0 HB2 GLN A 59 22.023 -6.271 -11.509 1.00 0.00 H new ATOM 0 HB3 GLN A 59 23.223 -5.078 -11.966 1.00 0.00 H new ATOM 0 HG2 GLN A 59 25.027 -6.549 -11.126 1.00 0.00 H new ATOM 0 HG3 GLN A 59 23.840 -7.735 -10.622 1.00 0.00 H new ATOM 0 HE21 GLN A 59 24.596 -9.359 -12.074 1.00 0.00 H new ATOM 0 HE22 GLN A 59 24.427 -9.189 -13.825 1.00 0.00 H new ATOM 947 N GLN A 60 20.555 -4.775 -10.094 1.00 0.00 N ATOM 948 CA GLN A 60 19.310 -4.020 -10.026 1.00 0.00 C ATOM 949 C GLN A 60 19.146 -3.388 -8.646 1.00 0.00 C ATOM 950 O GLN A 60 18.745 -2.232 -8.526 1.00 0.00 O ATOM 951 CB GLN A 60 18.123 -4.951 -10.334 1.00 0.00 C ATOM 952 CG GLN A 60 17.892 -5.220 -11.825 1.00 0.00 C ATOM 953 CD GLN A 60 19.162 -5.552 -12.596 1.00 0.00 C ATOM 954 OE1 GLN A 60 19.811 -4.669 -13.153 1.00 0.00 O ATOM 955 NE2 GLN A 60 19.538 -6.819 -12.622 1.00 0.00 N ATOM 0 H GLN A 60 20.433 -5.741 -10.399 1.00 0.00 H new ATOM 0 HA GLN A 60 19.337 -3.221 -10.767 1.00 0.00 H new ATOM 0 HB2 GLN A 60 18.284 -5.903 -9.827 1.00 0.00 H new ATOM 0 HB3 GLN A 60 17.217 -4.515 -9.913 1.00 0.00 H new ATOM 0 HG2 GLN A 60 17.188 -6.046 -11.930 1.00 0.00 H new ATOM 0 HG3 GLN A 60 17.425 -4.344 -12.274 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.977 -7.527 -12.149 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.390 -7.088 -13.115 1.00 0.00 H new ATOM 964 N LEU A 61 19.480 -4.160 -7.611 1.00 0.00 N ATOM 965 CA LEU A 61 19.396 -3.689 -6.229 1.00 0.00 C ATOM 966 C LEU A 61 20.192 -2.397 -6.041 1.00 0.00 C ATOM 967 O LEU A 61 19.679 -1.413 -5.511 1.00 0.00 O ATOM 968 CB LEU A 61 19.913 -4.769 -5.261 1.00 0.00 C ATOM 969 CG LEU A 61 19.050 -6.038 -5.150 1.00 0.00 C ATOM 970 CD1 LEU A 61 19.747 -7.089 -4.289 1.00 0.00 C ATOM 971 CD2 LEU A 61 17.675 -5.704 -4.574 1.00 0.00 C ATOM 0 H LEU A 61 19.813 -5.119 -7.705 1.00 0.00 H new ATOM 0 HA LEU A 61 18.349 -3.484 -6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 61 20.916 -5.061 -5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 61 20.005 -4.327 -4.269 1.00 0.00 H new ATOM 0 HG LEU A 61 18.915 -6.447 -6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 61 19.121 -7.979 -4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 61 20.704 -7.352 -4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 61 19.914 -6.688 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.079 -6.614 -4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 61 17.792 -5.269 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.171 -4.990 -5.226 1.00 0.00 H new ATOM 983 N ALA A 62 21.444 -2.408 -6.492 1.00 0.00 N ATOM 984 CA ALA A 62 22.331 -1.258 -6.338 1.00 0.00 C ATOM 985 C ALA A 62 21.776 -0.029 -7.055 1.00 0.00 C ATOM 986 O ALA A 62 21.764 1.075 -6.502 1.00 0.00 O ATOM 987 CB ALA A 62 23.725 -1.597 -6.859 1.00 0.00 C ATOM 0 H ALA A 62 21.868 -3.204 -6.969 1.00 0.00 H new ATOM 0 HA ALA A 62 22.398 -1.021 -5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.378 -0.733 -6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 62 24.129 -2.438 -6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.664 -1.863 -7.914 1.00 0.00 H new ATOM 993 N GLN A 63 21.302 -0.233 -8.280 1.00 0.00 N ATOM 994 CA GLN A 63 20.793 0.862 -9.102 1.00 0.00 C ATOM 995 C GLN A 63 19.531 1.467 -8.481 1.00 0.00 C ATOM 996 O GLN A 63 19.432 2.687 -8.314 1.00 0.00 O ATOM 997 CB GLN A 63 20.512 0.372 -10.529 1.00 0.00 C ATOM 998 CG GLN A 63 21.737 -0.225 -11.218 1.00 0.00 C ATOM 999 CD GLN A 63 21.488 -0.570 -12.676 1.00 0.00 C ATOM 1000 OE1 GLN A 63 21.069 -1.680 -13.009 1.00 0.00 O ATOM 1001 NE2 GLN A 63 21.750 0.381 -13.556 1.00 0.00 N ATOM 0 H GLN A 63 21.259 -1.149 -8.727 1.00 0.00 H new ATOM 0 HA GLN A 63 21.554 1.641 -9.147 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.721 -0.377 -10.499 1.00 0.00 H new ATOM 0 HB3 GLN A 63 20.140 1.205 -11.125 1.00 0.00 H new ATOM 0 HG2 GLN A 63 22.564 0.482 -11.154 1.00 0.00 H new ATOM 0 HG3 GLN A 63 22.045 -1.125 -10.685 1.00 0.00 H new ATOM 0 HE21 GLN A 63 22.096 1.287 -13.240 1.00 0.00 H new ATOM 0 HE22 GLN A 63 21.606 0.209 -14.551 1.00 0.00 H new ATOM 1010 N GLU A 64 18.582 0.605 -8.126 1.00 0.00 N ATOM 1011 CA GLU A 64 17.328 1.040 -7.513 1.00 0.00 C ATOM 1012 C GLU A 64 17.597 1.781 -6.204 1.00 0.00 C ATOM 1013 O GLU A 64 17.119 2.900 -6.005 1.00 0.00 O ATOM 1014 CB GLU A 64 16.404 -0.166 -7.263 1.00 0.00 C ATOM 1015 CG GLU A 64 15.940 -0.869 -8.537 1.00 0.00 C ATOM 1016 CD GLU A 64 14.966 -0.037 -9.359 1.00 0.00 C ATOM 1017 OE1 GLU A 64 15.418 0.793 -10.176 1.00 0.00 O ATOM 1018 OE2 GLU A 64 13.739 -0.212 -9.191 1.00 0.00 O ATOM 0 H GLU A 64 18.657 -0.404 -8.253 1.00 0.00 H new ATOM 0 HA GLU A 64 16.831 1.724 -8.201 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.926 -0.886 -6.633 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.529 0.169 -6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.809 -1.109 -9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.466 -1.814 -8.271 1.00 0.00 H new ATOM 1025 N ALA A 65 18.396 1.163 -5.336 1.00 0.00 N ATOM 1026 CA ALA A 65 18.675 1.709 -4.008 1.00 0.00 C ATOM 1027 C ALA A 65 19.258 3.117 -4.079 1.00 0.00 C ATOM 1028 O ALA A 65 18.854 3.999 -3.318 1.00 0.00 O ATOM 1029 CB ALA A 65 19.626 0.795 -3.246 1.00 0.00 C ATOM 0 H ALA A 65 18.865 0.278 -5.530 1.00 0.00 H new ATOM 0 HA ALA A 65 17.724 1.768 -3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.823 1.216 -2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.174 -0.191 -3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 65 20.563 0.705 -3.796 1.00 0.00 H new ATOM 1035 N ARG A 66 20.206 3.329 -4.991 1.00 0.00 N ATOM 1036 CA ARG A 66 20.889 4.616 -5.086 1.00 0.00 C ATOM 1037 C ARG A 66 19.926 5.707 -5.545 1.00 0.00 C ATOM 1038 O ARG A 66 19.976 6.830 -5.045 1.00 0.00 O ATOM 1039 CB ARG A 66 22.091 4.548 -6.041 1.00 0.00 C ATOM 1040 CG ARG A 66 23.030 5.750 -5.918 1.00 0.00 C ATOM 1041 CD ARG A 66 24.076 5.792 -7.028 1.00 0.00 C ATOM 1042 NE ARG A 66 24.753 4.506 -7.210 1.00 0.00 N ATOM 1043 CZ ARG A 66 25.841 4.119 -6.539 1.00 0.00 C ATOM 1044 NH1 ARG A 66 26.332 4.867 -5.555 1.00 0.00 N ATOM 1045 NH2 ARG A 66 26.424 2.968 -6.845 1.00 0.00 N ATOM 0 H ARG A 66 20.516 2.632 -5.669 1.00 0.00 H new ATOM 0 HA ARG A 66 21.257 4.861 -4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 66 22.653 3.635 -5.843 1.00 0.00 H new ATOM 0 HB3 ARG A 66 21.728 4.483 -7.067 1.00 0.00 H new ATOM 0 HG2 ARG A 66 22.444 6.669 -5.941 1.00 0.00 H new ATOM 0 HG3 ARG A 66 23.532 5.717 -4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 66 23.597 6.082 -7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 66 24.816 6.559 -6.797 1.00 0.00 H new ATOM 0 HE ARG A 66 24.366 3.860 -7.898 1.00 0.00 H new ATOM 0 HH11 ARG A 66 25.877 5.745 -5.306 1.00 0.00 H new ATOM 0 HH12 ARG A 66 27.163 4.562 -5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 66 26.041 2.384 -7.589 1.00 0.00 H new ATOM 0 HH22 ARG A 66 27.255 2.666 -6.337 1.00 0.00 H new ATOM 1059 N ASN A 67 19.052 5.376 -6.493 1.00 0.00 N ATOM 1060 CA ASN A 67 18.043 6.329 -6.963 1.00 0.00 C ATOM 1061 C ASN A 67 17.085 6.684 -5.833 1.00 0.00 C ATOM 1062 O ASN A 67 16.795 7.858 -5.601 1.00 0.00 O ATOM 1063 CB ASN A 67 17.263 5.769 -8.160 1.00 0.00 C ATOM 1064 CG ASN A 67 18.040 5.859 -9.462 1.00 0.00 C ATOM 1065 OD1 ASN A 67 17.858 6.951 -10.186 1.00 0.00 O flip ATOM 1066 ND2 ASN A 67 18.800 4.956 -9.814 1.00 0.00 N flip ATOM 0 H ASN A 67 19.020 4.464 -6.949 1.00 0.00 H new ATOM 0 HA ASN A 67 18.560 7.231 -7.289 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.007 4.727 -7.966 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.325 6.314 -8.264 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.914 4.129 -9.229 1.00 0.00 H new ATOM 0 HD22 ASN A 67 19.315 5.036 -10.691 1.00 0.00 H new ATOM 1073 N ILE A 68 16.608 5.661 -5.126 1.00 0.00 N ATOM 1074 CA ILE A 68 15.750 5.861 -3.958 1.00 0.00 C ATOM 1075 C ILE A 68 16.440 6.799 -2.969 1.00 0.00 C ATOM 1076 O ILE A 68 15.829 7.726 -2.428 1.00 0.00 O ATOM 1077 CB ILE A 68 15.433 4.512 -3.253 1.00 0.00 C ATOM 1078 CG1 ILE A 68 14.704 3.558 -4.213 1.00 0.00 C ATOM 1079 CG2 ILE A 68 14.601 4.743 -1.991 1.00 0.00 C ATOM 1080 CD1 ILE A 68 14.464 2.175 -3.638 1.00 0.00 C ATOM 0 H ILE A 68 16.801 4.683 -5.342 1.00 0.00 H new ATOM 0 HA ILE A 68 14.812 6.300 -4.298 1.00 0.00 H new ATOM 0 HB ILE A 68 16.376 4.051 -2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.746 3.998 -4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.287 3.464 -5.129 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.391 3.786 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.156 5.379 -1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.663 5.229 -2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.946 1.560 -4.374 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.420 1.714 -3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.854 2.256 -2.738 1.00 0.00 H new ATOM 1092 N TYR A 69 17.730 6.553 -2.762 1.00 0.00 N ATOM 1093 CA TYR A 69 18.544 7.378 -1.885 1.00 0.00 C ATOM 1094 C TYR A 69 18.559 8.829 -2.375 1.00 0.00 C ATOM 1095 O TYR A 69 18.125 9.740 -1.673 1.00 0.00 O ATOM 1096 CB TYR A 69 19.983 6.828 -1.818 1.00 0.00 C ATOM 1097 CG TYR A 69 20.907 7.655 -0.941 1.00 0.00 C ATOM 1098 CD1 TYR A 69 20.905 7.514 0.444 1.00 0.00 C ATOM 1099 CD2 TYR A 69 21.764 8.596 -1.501 1.00 0.00 C ATOM 1100 CE1 TYR A 69 21.733 8.285 1.240 1.00 0.00 C ATOM 1101 CE2 TYR A 69 22.586 9.371 -0.711 1.00 0.00 C ATOM 1102 CZ TYR A 69 22.569 9.213 0.655 1.00 0.00 C ATOM 1103 OH TYR A 69 23.377 9.999 1.440 1.00 0.00 O ATOM 0 H TYR A 69 18.235 5.780 -3.196 1.00 0.00 H new ATOM 0 HA TYR A 69 18.109 7.352 -0.886 1.00 0.00 H new ATOM 0 HB2 TYR A 69 19.956 5.806 -1.441 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.394 6.785 -2.826 1.00 0.00 H new ATOM 0 HD1 TYR A 69 20.247 6.792 0.904 1.00 0.00 H new ATOM 0 HD2 TYR A 69 21.786 8.722 -2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.725 8.161 2.313 1.00 0.00 H new ATOM 0 HE2 TYR A 69 23.242 10.100 -1.164 1.00 0.00 H new ATOM 0 HH TYR A 69 24.048 9.439 1.883 1.00 0.00 H new ATOM 1113 N GLN A 70 19.013 9.022 -3.607 1.00 0.00 N ATOM 1114 CA GLN A 70 19.283 10.358 -4.142 1.00 0.00 C ATOM 1115 C GLN A 70 18.011 11.108 -4.549 1.00 0.00 C ATOM 1116 O GLN A 70 18.098 12.200 -5.116 1.00 0.00 O ATOM 1117 CB GLN A 70 20.230 10.255 -5.345 1.00 0.00 C ATOM 1118 CG GLN A 70 21.609 9.702 -4.998 1.00 0.00 C ATOM 1119 CD GLN A 70 22.506 9.545 -6.213 1.00 0.00 C ATOM 1120 OE1 GLN A 70 22.032 9.300 -7.321 1.00 0.00 O ATOM 1121 NE2 GLN A 70 23.808 9.680 -6.015 1.00 0.00 N ATOM 0 H GLN A 70 19.205 8.265 -4.263 1.00 0.00 H new ATOM 0 HA GLN A 70 19.749 10.932 -3.341 1.00 0.00 H new ATOM 0 HB2 GLN A 70 19.773 9.617 -6.102 1.00 0.00 H new ATOM 0 HB3 GLN A 70 20.347 11.243 -5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 70 22.091 10.366 -4.280 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.494 8.734 -4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 70 24.163 9.883 -5.081 1.00 0.00 H new ATOM 0 HE22 GLN A 70 24.456 9.581 -6.797 1.00 0.00 H new ATOM 1130 N GLU A 71 16.836 10.548 -4.267 1.00 0.00 N ATOM 1131 CA GLU A 71 15.582 11.199 -4.664 1.00 0.00 C ATOM 1132 C GLU A 71 14.598 11.303 -3.500 1.00 0.00 C ATOM 1133 O GLU A 71 13.633 12.065 -3.567 1.00 0.00 O ATOM 1134 CB GLU A 71 14.942 10.433 -5.828 1.00 0.00 C ATOM 1135 CG GLU A 71 13.861 11.218 -6.565 1.00 0.00 C ATOM 1136 CD GLU A 71 13.262 10.451 -7.733 1.00 0.00 C ATOM 1137 OE1 GLU A 71 14.025 10.055 -8.642 1.00 0.00 O ATOM 1138 OE2 GLU A 71 12.025 10.263 -7.768 1.00 0.00 O ATOM 0 H GLU A 71 16.722 9.662 -3.775 1.00 0.00 H new ATOM 0 HA GLU A 71 15.822 12.214 -4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 71 15.721 10.152 -6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.509 9.508 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.068 11.479 -5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.284 12.153 -6.931 1.00 0.00 H new ATOM 1145 N PHE A 72 14.828 10.537 -2.438 1.00 0.00 N ATOM 1146 CA PHE A 72 13.926 10.563 -1.280 1.00 0.00 C ATOM 1147 C PHE A 72 14.680 10.635 0.051 1.00 0.00 C ATOM 1148 O PHE A 72 14.075 10.907 1.093 1.00 0.00 O ATOM 1149 CB PHE A 72 13.026 9.317 -1.281 1.00 0.00 C ATOM 1150 CG PHE A 72 12.200 9.149 -2.534 1.00 0.00 C ATOM 1151 CD1 PHE A 72 11.032 9.876 -2.717 1.00 0.00 C ATOM 1152 CD2 PHE A 72 12.594 8.262 -3.529 1.00 0.00 C ATOM 1153 CE1 PHE A 72 10.276 9.721 -3.866 1.00 0.00 C ATOM 1154 CE2 PHE A 72 11.841 8.105 -4.677 1.00 0.00 C ATOM 1155 CZ PHE A 72 10.681 8.836 -4.845 1.00 0.00 C ATOM 0 H PHE A 72 15.618 9.898 -2.350 1.00 0.00 H new ATOM 0 HA PHE A 72 13.323 11.467 -1.372 1.00 0.00 H new ATOM 0 HB2 PHE A 72 13.649 8.433 -1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 72 12.357 9.366 -0.422 1.00 0.00 H new ATOM 0 HD1 PHE A 72 10.710 10.570 -1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.500 7.688 -3.403 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.369 10.293 -3.997 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.159 7.412 -5.442 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.091 8.715 -5.742 1.00 0.00 H new ATOM 1165 N LEU A 73 15.993 10.404 0.027 1.00 0.00 N ATOM 1166 CA LEU A 73 16.748 10.193 1.268 1.00 0.00 C ATOM 1167 C LEU A 73 18.001 11.068 1.370 1.00 0.00 C ATOM 1168 O LEU A 73 18.447 11.383 2.472 1.00 0.00 O ATOM 1169 CB LEU A 73 17.133 8.711 1.363 1.00 0.00 C ATOM 1170 CG LEU A 73 15.945 7.734 1.311 1.00 0.00 C ATOM 1171 CD1 LEU A 73 16.420 6.298 1.116 1.00 0.00 C ATOM 1172 CD2 LEU A 73 15.100 7.858 2.577 1.00 0.00 C ATOM 0 H LEU A 73 16.552 10.358 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 73 16.105 10.484 2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.817 8.474 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.678 8.550 2.293 1.00 0.00 H new ATOM 0 HG LEU A 73 15.326 7.997 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.558 5.631 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 73 16.974 6.222 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.068 6.013 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.264 7.161 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 73 15.713 7.626 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.719 8.876 2.662 1.00 0.00 H new ATOM 1184 N SER A 74 18.565 11.462 0.232 1.00 0.00 N ATOM 1185 CA SER A 74 19.843 12.174 0.216 1.00 0.00 C ATOM 1186 C SER A 74 19.669 13.637 0.624 1.00 0.00 C ATOM 1187 O SER A 74 19.674 14.521 -0.231 1.00 0.00 O ATOM 1188 CB SER A 74 20.487 12.078 -1.177 1.00 0.00 C ATOM 1189 OG SER A 74 21.790 12.639 -1.192 1.00 0.00 O ATOM 0 H SER A 74 18.160 11.302 -0.690 1.00 0.00 H new ATOM 0 HA SER A 74 20.502 11.701 0.944 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.537 11.033 -1.484 1.00 0.00 H new ATOM 0 HB3 SER A 74 19.860 12.594 -1.904 1.00 0.00 H new ATOM 0 HG SER A 74 22.454 11.927 -1.079 1.00 0.00 H new ATOM 1195 N SER A 75 19.517 13.869 1.937 1.00 0.00 N ATOM 1196 CA SER A 75 19.356 15.211 2.520 1.00 0.00 C ATOM 1197 C SER A 75 18.352 16.076 1.736 1.00 0.00 C ATOM 1198 O SER A 75 17.203 16.234 2.161 1.00 0.00 O ATOM 1199 CB SER A 75 20.721 15.907 2.656 1.00 0.00 C ATOM 1200 OG SER A 75 21.493 15.773 1.475 1.00 0.00 O ATOM 0 H SER A 75 19.502 13.122 2.632 1.00 0.00 H new ATOM 0 HA SER A 75 18.935 15.086 3.518 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.571 16.964 2.876 1.00 0.00 H new ATOM 0 HB3 SER A 75 21.266 15.480 3.498 1.00 0.00 H new ATOM 0 HG SER A 75 22.353 16.227 1.593 1.00 0.00 H new ATOM 1206 N GLN A 76 18.788 16.637 0.608 1.00 0.00 N ATOM 1207 CA GLN A 76 17.892 17.383 -0.271 1.00 0.00 C ATOM 1208 C GLN A 76 17.046 16.394 -1.067 1.00 0.00 C ATOM 1209 O GLN A 76 15.835 16.295 -0.864 1.00 0.00 O ATOM 1210 CB GLN A 76 18.674 18.300 -1.233 1.00 0.00 C ATOM 1211 CG GLN A 76 19.604 19.299 -0.542 1.00 0.00 C ATOM 1212 CD GLN A 76 20.881 18.662 -0.018 1.00 0.00 C ATOM 1213 OE1 GLN A 76 21.381 17.690 -0.588 1.00 0.00 O ATOM 1214 NE2 GLN A 76 21.415 19.198 1.071 1.00 0.00 N ATOM 0 H GLN A 76 19.754 16.588 0.283 1.00 0.00 H new ATOM 0 HA GLN A 76 17.254 18.019 0.342 1.00 0.00 H new ATOM 0 HB2 GLN A 76 19.265 17.679 -1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.963 18.851 -1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 76 19.862 20.091 -1.244 1.00 0.00 H new ATOM 0 HG3 GLN A 76 19.073 19.768 0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 76 20.971 20.002 1.514 1.00 0.00 H new ATOM 0 HE22 GLN A 76 22.270 18.806 1.466 1.00 0.00 H new ATOM 1223 N ALA A 77 17.703 15.665 -1.976 1.00 0.00 N ATOM 1224 CA ALA A 77 17.074 14.584 -2.742 1.00 0.00 C ATOM 1225 C ALA A 77 15.897 15.081 -3.593 1.00 0.00 C ATOM 1226 O ALA A 77 15.167 14.283 -4.172 1.00 0.00 O ATOM 1227 CB ALA A 77 16.628 13.470 -1.794 1.00 0.00 C ATOM 0 H ALA A 77 18.687 15.808 -2.201 1.00 0.00 H new ATOM 0 HA ALA A 77 17.817 14.192 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.161 12.669 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 77 17.494 13.077 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.910 13.868 -1.077 1.00 0.00 H new ATOM 1233 N LEU A 78 15.736 16.403 -3.659 1.00 0.00 N ATOM 1234 CA LEU A 78 14.628 17.062 -4.370 1.00 0.00 C ATOM 1235 C LEU A 78 13.313 16.910 -3.601 1.00 0.00 C ATOM 1236 O LEU A 78 12.511 17.847 -3.530 1.00 0.00 O ATOM 1237 CB LEU A 78 14.468 16.544 -5.818 1.00 0.00 C ATOM 1238 CG LEU A 78 15.501 17.061 -6.841 1.00 0.00 C ATOM 1239 CD1 LEU A 78 16.907 16.568 -6.513 1.00 0.00 C ATOM 1240 CD2 LEU A 78 15.101 16.651 -8.257 1.00 0.00 C ATOM 0 H LEU A 78 16.378 17.060 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 78 14.880 18.121 -4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 78 14.518 15.455 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.472 16.812 -6.170 1.00 0.00 H new ATOM 0 HG LEU A 78 15.512 18.149 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 78 17.609 16.951 -7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 78 17.195 16.922 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 78 16.923 15.478 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 78 15.840 17.024 -8.966 1.00 0.00 H new ATOM 0 HD22 LEU A 78 15.052 15.564 -8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.125 17.072 -8.496 1.00 0.00 H new ATOM 1252 N SER A 79 13.108 15.736 -3.016 1.00 0.00 N ATOM 1253 CA SER A 79 11.881 15.424 -2.287 1.00 0.00 C ATOM 1254 C SER A 79 12.156 14.370 -1.207 1.00 0.00 C ATOM 1255 O SER A 79 11.958 13.174 -1.426 1.00 0.00 O ATOM 1256 CB SER A 79 10.801 14.925 -3.258 1.00 0.00 C ATOM 1257 OG SER A 79 10.600 15.853 -4.315 1.00 0.00 O ATOM 0 H SER A 79 13.785 14.974 -3.032 1.00 0.00 H new ATOM 0 HA SER A 79 11.522 16.331 -1.801 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.094 13.959 -3.668 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.865 14.772 -2.720 1.00 0.00 H new ATOM 0 HG SER A 79 10.258 15.382 -5.103 1.00 0.00 H new ATOM 1263 N PRO A 80 12.648 14.801 -0.030 1.00 0.00 N ATOM 1264 CA PRO A 80 12.975 13.890 1.064 1.00 0.00 C ATOM 1265 C PRO A 80 11.739 13.469 1.863 1.00 0.00 C ATOM 1266 O PRO A 80 10.933 14.308 2.266 1.00 0.00 O ATOM 1267 CB PRO A 80 13.931 14.722 1.926 1.00 0.00 C ATOM 1268 CG PRO A 80 13.480 16.133 1.727 1.00 0.00 C ATOM 1269 CD PRO A 80 12.922 16.211 0.324 1.00 0.00 C ATOM 0 HA PRO A 80 13.404 12.952 0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 80 13.875 14.431 2.975 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.966 14.588 1.613 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.722 16.405 2.462 1.00 0.00 H new ATOM 0 HG3 PRO A 80 14.311 16.827 1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.016 16.815 0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 80 13.635 16.664 -0.365 1.00 0.00 H new ATOM 1277 N VAL A 81 11.600 12.162 2.092 1.00 0.00 N ATOM 1278 CA VAL A 81 10.488 11.627 2.885 1.00 0.00 C ATOM 1279 C VAL A 81 10.597 12.055 4.349 1.00 0.00 C ATOM 1280 O VAL A 81 9.638 11.942 5.112 1.00 0.00 O ATOM 1281 CB VAL A 81 10.410 10.080 2.804 1.00 0.00 C ATOM 1282 CG1 VAL A 81 9.956 9.627 1.420 1.00 0.00 C ATOM 1283 CG2 VAL A 81 11.754 9.446 3.159 1.00 0.00 C ATOM 0 H VAL A 81 12.243 11.453 1.740 1.00 0.00 H new ATOM 0 HA VAL A 81 9.575 12.041 2.458 1.00 0.00 H new ATOM 0 HB VAL A 81 9.671 9.746 3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.910 8.538 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.969 10.038 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.664 9.981 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.673 8.361 3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.516 9.795 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.033 9.729 4.174 1.00 0.00 H new ATOM 1293 N ASN A 82 11.785 12.528 4.729 1.00 0.00 N ATOM 1294 CA ASN A 82 12.028 13.096 6.058 1.00 0.00 C ATOM 1295 C ASN A 82 11.737 12.093 7.176 1.00 0.00 C ATOM 1296 O ASN A 82 11.277 12.469 8.259 1.00 0.00 O ATOM 1297 CB ASN A 82 11.211 14.387 6.251 1.00 0.00 C ATOM 1298 CG ASN A 82 11.714 15.527 5.376 1.00 0.00 C ATOM 1299 OD1 ASN A 82 12.901 15.596 5.054 1.00 0.00 O ATOM 1300 ND2 ASN A 82 10.822 16.427 4.994 1.00 0.00 N ATOM 0 H ASN A 82 12.607 12.529 4.125 1.00 0.00 H new ATOM 0 HA ASN A 82 13.088 13.341 6.119 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.164 14.190 6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.255 14.689 7.297 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.109 17.214 4.411 1.00 0.00 H new ATOM 0 HD22 ASN A 82 9.848 16.334 5.282 1.00 0.00 H new ATOM 1307 N ILE A 83 12.031 10.821 6.912 1.00 0.00 N ATOM 1308 CA ILE A 83 11.992 9.784 7.945 1.00 0.00 C ATOM 1309 C ILE A 83 13.045 10.068 9.024 1.00 0.00 C ATOM 1310 O ILE A 83 13.664 11.136 9.024 1.00 0.00 O ATOM 1311 CB ILE A 83 12.232 8.374 7.340 1.00 0.00 C ATOM 1312 CG1 ILE A 83 13.455 8.396 6.405 1.00 0.00 C ATOM 1313 CG2 ILE A 83 10.988 7.875 6.611 1.00 0.00 C ATOM 1314 CD1 ILE A 83 13.717 7.081 5.700 1.00 0.00 C ATOM 0 H ILE A 83 12.300 10.482 5.988 1.00 0.00 H new ATOM 0 HA ILE A 83 10.999 9.801 8.394 1.00 0.00 H new ATOM 0 HB ILE A 83 12.437 7.678 8.153 1.00 0.00 H new ATOM 0 HG12 ILE A 83 13.313 9.175 5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 83 14.337 8.668 6.984 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.182 6.886 6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 83 10.154 7.818 7.311 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.738 8.564 5.804 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.594 7.179 5.061 1.00 0.00 H new ATOM 0 HD12 ILE A 83 13.893 6.300 6.440 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.853 6.816 5.091 1.00 0.00 H new ATOM 1326 N ASP A 84 13.246 9.113 9.935 1.00 0.00 N ATOM 1327 CA ASP A 84 14.203 9.273 11.035 1.00 0.00 C ATOM 1328 C ASP A 84 15.533 9.825 10.530 1.00 0.00 C ATOM 1329 O ASP A 84 15.950 10.911 10.931 1.00 0.00 O ATOM 1330 CB ASP A 84 14.450 7.935 11.745 1.00 0.00 C ATOM 1331 CG ASP A 84 13.201 7.369 12.395 1.00 0.00 C ATOM 1332 OD1 ASP A 84 12.399 6.724 11.688 1.00 0.00 O ATOM 1333 OD2 ASP A 84 13.019 7.558 13.617 1.00 0.00 O ATOM 0 H ASP A 84 12.758 8.218 9.933 1.00 0.00 H new ATOM 0 HA ASP A 84 13.769 9.980 11.741 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.837 7.214 11.025 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.219 8.070 12.505 1.00 0.00 H new ATOM 1338 N ARG A 85 16.176 9.068 9.633 1.00 0.00 N ATOM 1339 CA ARG A 85 17.496 9.411 9.083 1.00 0.00 C ATOM 1340 C ARG A 85 18.601 9.287 10.143 1.00 0.00 C ATOM 1341 O ARG A 85 19.622 8.645 9.902 1.00 0.00 O ATOM 1342 CB ARG A 85 17.500 10.807 8.433 1.00 0.00 C ATOM 1343 CG ARG A 85 16.601 10.901 7.200 1.00 0.00 C ATOM 1344 CD ARG A 85 16.749 12.235 6.473 1.00 0.00 C ATOM 1345 NE ARG A 85 16.431 13.377 7.337 1.00 0.00 N ATOM 1346 CZ ARG A 85 15.694 14.425 6.966 1.00 0.00 C ATOM 1347 NH1 ARG A 85 15.192 14.496 5.736 1.00 0.00 N ATOM 1348 NH2 ARG A 85 15.473 15.408 7.825 1.00 0.00 N ATOM 0 H ARG A 85 15.795 8.196 9.266 1.00 0.00 H new ATOM 0 HA ARG A 85 17.711 8.686 8.298 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.176 11.544 9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.520 11.066 8.151 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.842 10.088 6.515 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.562 10.767 7.500 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.770 12.334 6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.093 12.247 5.603 1.00 0.00 H new ATOM 0 HE ARG A 85 16.799 13.369 8.288 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.370 13.745 5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.629 15.301 5.460 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.866 15.362 8.765 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.910 16.212 7.546 1.00 0.00 H new ATOM 1362 N GLN A 86 18.390 9.882 11.316 1.00 0.00 N ATOM 1363 CA GLN A 86 19.330 9.764 12.433 1.00 0.00 C ATOM 1364 C GLN A 86 19.571 8.298 12.804 1.00 0.00 C ATOM 1365 O GLN A 86 20.650 7.934 13.273 1.00 0.00 O ATOM 1366 CB GLN A 86 18.799 10.535 13.653 1.00 0.00 C ATOM 1367 CG GLN A 86 18.731 12.049 13.455 1.00 0.00 C ATOM 1368 CD GLN A 86 20.105 12.706 13.378 1.00 0.00 C ATOM 1369 OE1 GLN A 86 21.081 12.096 12.945 1.00 0.00 O ATOM 1370 NE2 GLN A 86 20.190 13.955 13.802 1.00 0.00 N ATOM 0 H GLN A 86 17.571 10.455 11.520 1.00 0.00 H new ATOM 0 HA GLN A 86 20.281 10.194 12.120 1.00 0.00 H new ATOM 0 HB2 GLN A 86 17.803 10.166 13.896 1.00 0.00 H new ATOM 0 HB3 GLN A 86 19.437 10.320 14.511 1.00 0.00 H new ATOM 0 HG2 GLN A 86 18.180 12.265 12.540 1.00 0.00 H new ATOM 0 HG3 GLN A 86 18.169 12.492 14.277 1.00 0.00 H new ATOM 0 HE21 GLN A 86 19.360 14.431 14.155 1.00 0.00 H new ATOM 0 HE22 GLN A 86 21.086 14.443 13.776 1.00 0.00 H new ATOM 1379 N ALA A 87 18.559 7.461 12.590 1.00 0.00 N ATOM 1380 CA ALA A 87 18.651 6.028 12.884 1.00 0.00 C ATOM 1381 C ALA A 87 18.671 5.211 11.589 1.00 0.00 C ATOM 1382 O ALA A 87 18.308 4.032 11.576 1.00 0.00 O ATOM 1383 CB ALA A 87 17.479 5.606 13.766 1.00 0.00 C ATOM 0 H ALA A 87 17.658 7.751 12.211 1.00 0.00 H new ATOM 0 HA ALA A 87 19.582 5.837 13.417 1.00 0.00 H new ATOM 0 HB1 ALA A 87 17.551 4.540 13.982 1.00 0.00 H new ATOM 0 HB2 ALA A 87 17.505 6.168 14.700 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.542 5.808 13.247 1.00 0.00 H new ATOM 1389 N TRP A 88 19.109 5.844 10.504 1.00 0.00 N ATOM 1390 CA TRP A 88 19.103 5.216 9.184 1.00 0.00 C ATOM 1391 C TRP A 88 20.433 4.498 8.931 1.00 0.00 C ATOM 1392 O TRP A 88 21.313 4.488 9.794 1.00 0.00 O ATOM 1393 CB TRP A 88 18.836 6.282 8.110 1.00 0.00 C ATOM 1394 CG TRP A 88 18.300 5.736 6.821 1.00 0.00 C ATOM 1395 CD1 TRP A 88 17.054 5.223 6.612 1.00 0.00 C ATOM 1396 CD2 TRP A 88 18.985 5.656 5.567 1.00 0.00 C ATOM 1397 NE1 TRP A 88 16.920 4.820 5.311 1.00 0.00 N ATOM 1398 CE2 TRP A 88 18.092 5.079 4.646 1.00 0.00 C ATOM 1399 CE3 TRP A 88 20.263 6.017 5.131 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 18.442 4.853 3.322 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 20.605 5.790 3.813 1.00 0.00 C ATOM 1402 CH2 TRP A 88 19.696 5.214 2.923 1.00 0.00 C ATOM 0 H TRP A 88 19.474 6.796 10.513 1.00 0.00 H new ATOM 0 HA TRP A 88 18.309 4.471 9.140 1.00 0.00 H new ATOM 0 HB2 TRP A 88 18.128 7.010 8.505 1.00 0.00 H new ATOM 0 HB3 TRP A 88 19.764 6.817 7.907 1.00 0.00 H new ATOM 0 HD1 TRP A 88 16.284 5.146 7.365 1.00 0.00 H new ATOM 0 HE1 TRP A 88 16.086 4.397 4.903 1.00 0.00 H new ATOM 0 HE3 TRP A 88 20.970 6.465 5.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 17.744 4.406 2.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 21.591 6.062 3.465 1.00 0.00 H new ATOM 0 HH2 TRP A 88 19.992 5.051 1.897 1.00 0.00 H new ATOM 1413 N LEU A 89 20.571 3.903 7.749 1.00 0.00 N ATOM 1414 CA LEU A 89 21.762 3.136 7.397 1.00 0.00 C ATOM 1415 C LEU A 89 22.960 4.070 7.200 1.00 0.00 C ATOM 1416 O LEU A 89 23.809 4.211 8.082 1.00 0.00 O ATOM 1417 CB LEU A 89 21.523 2.311 6.115 1.00 0.00 C ATOM 1418 CG LEU A 89 20.360 1.292 6.140 1.00 0.00 C ATOM 1419 CD1 LEU A 89 20.450 0.373 7.351 1.00 0.00 C ATOM 1420 CD2 LEU A 89 19.000 1.985 6.084 1.00 0.00 C ATOM 0 H LEU A 89 19.866 3.938 7.013 1.00 0.00 H new ATOM 0 HA LEU A 89 21.977 2.451 8.217 1.00 0.00 H new ATOM 0 HB2 LEU A 89 21.347 3.006 5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 89 22.441 1.771 5.884 1.00 0.00 H new ATOM 0 HG LEU A 89 20.456 0.678 5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 89 19.617 -0.330 7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 89 21.390 -0.177 7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 89 20.407 0.968 8.263 1.00 0.00 H new ATOM 0 HD21 LEU A 89 18.209 1.236 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 89 18.894 2.648 6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 89 18.926 2.567 5.165 1.00 0.00 H new ATOM 1432 N GLY A 90 23.004 4.726 6.041 1.00 0.00 N ATOM 1433 CA GLY A 90 24.090 5.640 5.721 1.00 0.00 C ATOM 1434 C GLY A 90 24.770 5.284 4.412 1.00 0.00 C ATOM 1435 O GLY A 90 24.339 4.362 3.718 1.00 0.00 O ATOM 0 H GLY A 90 22.298 4.639 5.310 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.702 6.657 5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 90 24.825 5.625 6.526 1.00 0.00 H new ATOM 1439 N GLU A 91 25.836 6.011 4.081 1.00 0.00 N ATOM 1440 CA GLU A 91 26.589 5.797 2.838 1.00 0.00 C ATOM 1441 C GLU A 91 27.010 4.334 2.676 1.00 0.00 C ATOM 1442 O GLU A 91 27.125 3.831 1.554 1.00 0.00 O ATOM 1443 CB GLU A 91 27.852 6.677 2.812 1.00 0.00 C ATOM 1444 CG GLU A 91 27.605 8.143 3.142 1.00 0.00 C ATOM 1445 CD GLU A 91 26.474 8.747 2.333 1.00 0.00 C ATOM 1446 OE1 GLU A 91 26.632 8.913 1.104 1.00 0.00 O ATOM 1447 OE2 GLU A 91 25.426 9.070 2.925 1.00 0.00 O ATOM 0 H GLU A 91 26.204 6.764 4.662 1.00 0.00 H new ATOM 0 HA GLU A 91 25.927 6.068 2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 91 28.575 6.274 3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.305 6.611 1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 91 27.377 8.238 4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.518 8.710 2.960 1.00 0.00 H new ATOM 1454 N GLU A 92 27.225 3.659 3.802 1.00 0.00 N ATOM 1455 CA GLU A 92 27.755 2.301 3.806 1.00 0.00 C ATOM 1456 C GLU A 92 26.763 1.316 3.202 1.00 0.00 C ATOM 1457 O GLU A 92 27.148 0.246 2.736 1.00 0.00 O ATOM 1458 CB GLU A 92 28.122 1.879 5.237 1.00 0.00 C ATOM 1459 CG GLU A 92 26.958 1.941 6.223 1.00 0.00 C ATOM 1460 CD GLU A 92 27.381 1.617 7.647 1.00 0.00 C ATOM 1461 OE1 GLU A 92 27.965 2.499 8.313 1.00 0.00 O ATOM 1462 OE2 GLU A 92 27.143 0.481 8.108 1.00 0.00 O ATOM 0 H GLU A 92 27.038 4.036 4.731 1.00 0.00 H new ATOM 0 HA GLU A 92 28.654 2.289 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 92 28.512 0.861 5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 92 28.925 2.521 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 92 26.517 2.937 6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 92 26.183 1.241 5.910 1.00 0.00 H new ATOM 1469 N VAL A 93 25.486 1.685 3.187 1.00 0.00 N ATOM 1470 CA VAL A 93 24.455 0.784 2.692 1.00 0.00 C ATOM 1471 C VAL A 93 24.474 0.729 1.161 1.00 0.00 C ATOM 1472 O VAL A 93 23.999 -0.229 0.557 1.00 0.00 O ATOM 1473 CB VAL A 93 23.042 1.179 3.197 1.00 0.00 C ATOM 1474 CG1 VAL A 93 22.481 2.377 2.430 1.00 0.00 C ATOM 1475 CG2 VAL A 93 22.089 -0.014 3.132 1.00 0.00 C ATOM 0 H VAL A 93 25.144 2.591 3.508 1.00 0.00 H new ATOM 0 HA VAL A 93 24.680 -0.207 3.087 1.00 0.00 H new ATOM 0 HB VAL A 93 23.138 1.481 4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 93 21.490 2.623 2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 93 23.143 3.234 2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 93 22.409 2.130 1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 93 21.105 0.287 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 93 22.009 -0.360 2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 93 22.472 -0.820 3.757 1.00 0.00 H new ATOM 1485 N LEU A 94 25.034 1.769 0.538 1.00 0.00 N ATOM 1486 CA LEU A 94 25.191 1.804 -0.919 1.00 0.00 C ATOM 1487 C LEU A 94 26.366 0.921 -1.338 1.00 0.00 C ATOM 1488 O LEU A 94 26.487 0.526 -2.500 1.00 0.00 O ATOM 1489 CB LEU A 94 25.424 3.240 -1.419 1.00 0.00 C ATOM 1490 CG LEU A 94 24.216 4.201 -1.347 1.00 0.00 C ATOM 1491 CD1 LEU A 94 22.976 3.576 -1.985 1.00 0.00 C ATOM 1492 CD2 LEU A 94 23.929 4.638 0.088 1.00 0.00 C ATOM 0 H LEU A 94 25.386 2.597 1.019 1.00 0.00 H new ATOM 0 HA LEU A 94 24.271 1.428 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 94 26.240 3.674 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 94 25.759 3.190 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 94 24.477 5.093 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 94 22.142 4.275 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 94 23.180 3.351 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 94 22.721 2.656 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 94 23.073 5.313 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 94 23.708 3.762 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 94 24.801 5.151 0.493 1.00 0.00 H new ATOM 1504 N ALA A 95 27.240 0.640 -0.375 1.00 0.00 N ATOM 1505 CA ALA A 95 28.407 -0.210 -0.603 1.00 0.00 C ATOM 1506 C ALA A 95 27.996 -1.658 -0.862 1.00 0.00 C ATOM 1507 O ALA A 95 28.666 -2.378 -1.605 1.00 0.00 O ATOM 1508 CB ALA A 95 29.360 -0.129 0.582 1.00 0.00 C ATOM 0 H ALA A 95 27.161 0.992 0.579 1.00 0.00 H new ATOM 0 HA ALA A 95 28.921 0.155 -1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.224 -0.767 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 95 29.691 0.901 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 95 28.848 -0.463 1.484 1.00 0.00 H new ATOM 1514 N GLU A 96 26.896 -2.081 -0.244 1.00 0.00 N ATOM 1515 CA GLU A 96 26.371 -3.430 -0.440 1.00 0.00 C ATOM 1516 C GLU A 96 24.839 -3.427 -0.412 1.00 0.00 C ATOM 1517 O GLU A 96 24.227 -3.241 0.641 1.00 0.00 O ATOM 1518 CB GLU A 96 26.929 -4.401 0.617 1.00 0.00 C ATOM 1519 CG GLU A 96 26.726 -3.957 2.067 1.00 0.00 C ATOM 1520 CD GLU A 96 27.158 -5.020 3.068 1.00 0.00 C ATOM 1521 OE1 GLU A 96 28.380 -5.243 3.217 1.00 0.00 O ATOM 1522 OE2 GLU A 96 26.277 -5.654 3.698 1.00 0.00 O ATOM 0 H GLU A 96 26.350 -1.507 0.398 1.00 0.00 H new ATOM 0 HA GLU A 96 26.696 -3.775 -1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 96 26.458 -5.374 0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 96 27.996 -4.536 0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 96 27.292 -3.043 2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 96 25.675 -3.718 2.227 1.00 0.00 H new ATOM 1529 N PRO A 97 24.194 -3.608 -1.581 1.00 0.00 N ATOM 1530 CA PRO A 97 22.737 -3.681 -1.662 1.00 0.00 C ATOM 1531 C PRO A 97 22.210 -5.028 -1.171 1.00 0.00 C ATOM 1532 O PRO A 97 22.901 -6.047 -1.260 1.00 0.00 O ATOM 1533 CB PRO A 97 22.457 -3.500 -3.152 1.00 0.00 C ATOM 1534 CG PRO A 97 23.670 -4.048 -3.828 1.00 0.00 C ATOM 1535 CD PRO A 97 24.830 -3.749 -2.908 1.00 0.00 C ATOM 0 HA PRO A 97 22.247 -2.935 -1.036 1.00 0.00 H new ATOM 0 HB2 PRO A 97 21.557 -4.036 -3.455 1.00 0.00 H new ATOM 0 HB3 PRO A 97 22.303 -2.450 -3.403 1.00 0.00 H new ATOM 0 HG2 PRO A 97 23.572 -5.120 -3.996 1.00 0.00 H new ATOM 0 HG3 PRO A 97 23.816 -3.584 -4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 97 25.566 -4.553 -2.916 1.00 0.00 H new ATOM 0 HD3 PRO A 97 25.350 -2.837 -3.202 1.00 0.00 H new ATOM 1543 N ARG A 98 20.982 -5.027 -0.664 1.00 0.00 N ATOM 1544 CA ARG A 98 20.374 -6.224 -0.095 1.00 0.00 C ATOM 1545 C ARG A 98 18.879 -5.983 0.118 1.00 0.00 C ATOM 1546 O ARG A 98 18.462 -4.852 0.362 1.00 0.00 O ATOM 1547 CB ARG A 98 21.084 -6.600 1.223 1.00 0.00 C ATOM 1548 CG ARG A 98 21.079 -5.494 2.277 1.00 0.00 C ATOM 1549 CD ARG A 98 22.125 -5.732 3.359 1.00 0.00 C ATOM 1550 NE ARG A 98 21.889 -6.981 4.086 1.00 0.00 N ATOM 1551 CZ ARG A 98 22.826 -7.646 4.762 1.00 0.00 C ATOM 1552 NH1 ARG A 98 24.079 -7.198 4.803 1.00 0.00 N ATOM 1553 NH2 ARG A 98 22.508 -8.767 5.394 1.00 0.00 N ATOM 0 H ARG A 98 20.383 -4.202 -0.636 1.00 0.00 H new ATOM 0 HA ARG A 98 20.489 -7.062 -0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.605 -7.486 1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 98 22.116 -6.870 1.002 1.00 0.00 H new ATOM 0 HG2 ARG A 98 21.267 -4.534 1.796 1.00 0.00 H new ATOM 0 HG3 ARG A 98 20.091 -5.434 2.734 1.00 0.00 H new ATOM 0 HD2 ARG A 98 23.116 -5.758 2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 98 22.117 -4.898 4.060 1.00 0.00 H new ATOM 0 HE ARG A 98 20.945 -7.368 4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 98 24.330 -6.338 4.314 1.00 0.00 H new ATOM 0 HH12 ARG A 98 24.788 -7.714 5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 98 21.550 -9.117 5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 98 23.221 -9.280 5.913 1.00 0.00 H new ATOM 1567 N PRO A 99 18.049 -7.039 0.044 1.00 0.00 N ATOM 1568 CA PRO A 99 16.580 -6.899 0.085 1.00 0.00 C ATOM 1569 C PRO A 99 16.067 -6.374 1.430 1.00 0.00 C ATOM 1570 O PRO A 99 14.873 -6.126 1.596 1.00 0.00 O ATOM 1571 CB PRO A 99 16.083 -8.332 -0.170 1.00 0.00 C ATOM 1572 CG PRO A 99 17.206 -9.200 0.286 1.00 0.00 C ATOM 1573 CD PRO A 99 18.462 -8.452 -0.067 1.00 0.00 C ATOM 0 HA PRO A 99 16.221 -6.171 -0.643 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.169 -8.540 0.386 1.00 0.00 H new ATOM 0 HB3 PRO A 99 15.859 -8.493 -1.224 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.148 -9.385 1.359 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.176 -10.172 -0.207 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.278 -8.689 0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.807 -8.694 -1.072 1.00 0.00 H new ATOM 1581 N ASP A 100 16.978 -6.195 2.382 1.00 0.00 N ATOM 1582 CA ASP A 100 16.618 -5.754 3.730 1.00 0.00 C ATOM 1583 C ASP A 100 17.311 -4.434 4.084 1.00 0.00 C ATOM 1584 O ASP A 100 17.478 -4.106 5.260 1.00 0.00 O ATOM 1585 CB ASP A 100 16.981 -6.843 4.754 1.00 0.00 C ATOM 1586 CG ASP A 100 18.472 -7.147 4.803 1.00 0.00 C ATOM 1587 OD1 ASP A 100 19.031 -7.577 3.770 1.00 0.00 O ATOM 1588 OD2 ASP A 100 19.092 -6.966 5.875 1.00 0.00 O ATOM 0 H ASP A 100 17.977 -6.349 2.246 1.00 0.00 H new ATOM 0 HA ASP A 100 15.542 -5.584 3.758 1.00 0.00 H new ATOM 0 HB2 ASP A 100 16.648 -6.528 5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 100 16.438 -7.757 4.511 1.00 0.00 H new ATOM 1593 N MET A 101 17.682 -3.666 3.060 1.00 0.00 N ATOM 1594 CA MET A 101 18.351 -2.375 3.265 1.00 0.00 C ATOM 1595 C MET A 101 17.456 -1.375 4.005 1.00 0.00 C ATOM 1596 O MET A 101 17.670 -1.085 5.182 1.00 0.00 O ATOM 1597 CB MET A 101 18.799 -1.773 1.918 1.00 0.00 C ATOM 1598 CG MET A 101 19.977 -2.497 1.280 1.00 0.00 C ATOM 1599 SD MET A 101 20.304 -1.980 -0.418 1.00 0.00 S ATOM 1600 CE MET A 101 20.910 -0.314 -0.176 1.00 0.00 C ATOM 0 H MET A 101 17.533 -3.912 2.081 1.00 0.00 H new ATOM 0 HA MET A 101 19.227 -2.566 3.885 1.00 0.00 H new ATOM 0 HB2 MET A 101 17.957 -1.789 1.226 1.00 0.00 H new ATOM 0 HB3 MET A 101 19.067 -0.727 2.070 1.00 0.00 H new ATOM 0 HG2 MET A 101 20.869 -2.325 1.882 1.00 0.00 H new ATOM 0 HG3 MET A 101 19.785 -3.570 1.294 1.00 0.00 H new ATOM 0 HE1 MET A 101 20.272 0.387 -0.714 1.00 0.00 H new ATOM 0 HE2 MET A 101 20.898 -0.073 0.887 1.00 0.00 H new ATOM 0 HE3 MET A 101 21.930 -0.239 -0.553 1.00 0.00 H new ATOM 1610 N PHE A 102 16.446 -0.856 3.311 1.00 0.00 N ATOM 1611 CA PHE A 102 15.660 0.277 3.821 1.00 0.00 C ATOM 1612 C PHE A 102 14.347 -0.170 4.469 1.00 0.00 C ATOM 1613 O PHE A 102 13.587 0.665 4.964 1.00 0.00 O ATOM 1614 CB PHE A 102 15.356 1.264 2.681 1.00 0.00 C ATOM 1615 CG PHE A 102 16.563 1.687 1.878 1.00 0.00 C ATOM 1616 CD1 PHE A 102 17.839 1.675 2.431 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.416 2.099 0.559 1.00 0.00 C ATOM 1618 CE1 PHE A 102 18.933 2.063 1.684 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.510 2.487 -0.189 1.00 0.00 C ATOM 1620 CZ PHE A 102 18.769 2.470 0.374 1.00 0.00 C ATOM 0 H PHE A 102 16.149 -1.197 2.397 1.00 0.00 H new ATOM 0 HA PHE A 102 16.262 0.763 4.589 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.629 0.809 2.008 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.887 2.153 3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 102 17.975 1.359 3.455 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.433 2.116 0.113 1.00 0.00 H new ATOM 0 HE1 PHE A 102 19.919 2.048 2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.380 2.803 -1.213 1.00 0.00 H new ATOM 0 HZ PHE A 102 19.626 2.775 -0.209 1.00 0.00 H new ATOM 1630 N ARG A 103 14.111 -1.482 4.494 1.00 0.00 N ATOM 1631 CA ARG A 103 12.828 -2.055 4.942 1.00 0.00 C ATOM 1632 C ARG A 103 12.326 -1.453 6.265 1.00 0.00 C ATOM 1633 O ARG A 103 11.118 -1.372 6.498 1.00 0.00 O ATOM 1634 CB ARG A 103 12.949 -3.590 5.044 1.00 0.00 C ATOM 1635 CG ARG A 103 14.174 -4.091 5.819 1.00 0.00 C ATOM 1636 CD ARG A 103 13.980 -4.054 7.334 1.00 0.00 C ATOM 1637 NE ARG A 103 13.050 -5.085 7.800 1.00 0.00 N ATOM 1638 CZ ARG A 103 12.185 -4.922 8.801 1.00 0.00 C ATOM 1639 NH1 ARG A 103 12.070 -3.742 9.397 1.00 0.00 N ATOM 1640 NH2 ARG A 103 11.434 -5.940 9.200 1.00 0.00 N ATOM 0 H ARG A 103 14.797 -2.180 4.207 1.00 0.00 H new ATOM 0 HA ARG A 103 12.080 -1.797 4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.050 -3.980 5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.980 -4.005 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.398 -5.113 5.512 1.00 0.00 H new ATOM 0 HG3 ARG A 103 15.038 -3.482 5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.944 -4.188 7.825 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.607 -3.072 7.627 1.00 0.00 H new ATOM 0 HE ARG A 103 13.065 -5.988 7.327 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.644 -2.957 9.089 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.407 -3.620 10.163 1.00 0.00 H new ATOM 0 HH21 ARG A 103 11.519 -6.847 8.741 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.772 -5.816 9.966 1.00 0.00 H new ATOM 1654 N ALA A 104 13.254 -1.016 7.116 1.00 0.00 N ATOM 1655 CA ALA A 104 12.905 -0.477 8.432 1.00 0.00 C ATOM 1656 C ALA A 104 12.077 0.802 8.313 1.00 0.00 C ATOM 1657 O ALA A 104 10.873 0.803 8.574 1.00 0.00 O ATOM 1658 CB ALA A 104 14.167 -0.224 9.251 1.00 0.00 C ATOM 0 H ALA A 104 14.255 -1.024 6.918 1.00 0.00 H new ATOM 0 HA ALA A 104 12.293 -1.218 8.946 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.893 0.177 10.227 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.709 -1.160 9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.801 0.493 8.730 1.00 0.00 H new ATOM 1664 N GLN A 105 12.725 1.887 7.897 1.00 0.00 N ATOM 1665 CA GLN A 105 12.065 3.190 7.816 1.00 0.00 C ATOM 1666 C GLN A 105 11.143 3.267 6.598 1.00 0.00 C ATOM 1667 O GLN A 105 10.326 4.185 6.474 1.00 0.00 O ATOM 1668 CB GLN A 105 13.111 4.310 7.826 1.00 0.00 C ATOM 1669 CG GLN A 105 13.815 4.429 9.180 1.00 0.00 C ATOM 1670 CD GLN A 105 14.891 5.501 9.237 1.00 0.00 C ATOM 1671 OE1 GLN A 105 14.812 6.529 8.569 1.00 0.00 O ATOM 1672 NE2 GLN A 105 15.909 5.268 10.051 1.00 0.00 N ATOM 0 H GLN A 105 13.704 1.892 7.611 1.00 0.00 H new ATOM 0 HA GLN A 105 11.431 3.321 8.693 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.851 4.121 7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.629 5.257 7.584 1.00 0.00 H new ATOM 0 HG2 GLN A 105 13.069 4.639 9.946 1.00 0.00 H new ATOM 0 HG3 GLN A 105 14.264 3.467 9.428 1.00 0.00 H new ATOM 0 HE21 GLN A 105 15.943 4.403 10.591 1.00 0.00 H new ATOM 0 HE22 GLN A 105 16.660 5.953 10.138 1.00 0.00 H new ATOM 1681 N GLN A 106 11.272 2.284 5.713 1.00 0.00 N ATOM 1682 CA GLN A 106 10.322 2.095 4.621 1.00 0.00 C ATOM 1683 C GLN A 106 8.928 1.852 5.195 1.00 0.00 C ATOM 1684 O GLN A 106 7.944 2.474 4.781 1.00 0.00 O ATOM 1685 CB GLN A 106 10.745 0.898 3.761 1.00 0.00 C ATOM 1686 CG GLN A 106 9.795 0.583 2.610 1.00 0.00 C ATOM 1687 CD GLN A 106 10.143 -0.721 1.911 1.00 0.00 C ATOM 1688 OE1 GLN A 106 11.302 -1.137 1.889 1.00 0.00 O ATOM 1689 NE2 GLN A 106 9.146 -1.365 1.326 1.00 0.00 N ATOM 0 H GLN A 106 12.030 1.602 5.731 1.00 0.00 H new ATOM 0 HA GLN A 106 10.307 2.990 3.999 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.738 1.091 3.354 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.827 0.018 4.399 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.775 0.527 2.990 1.00 0.00 H new ATOM 0 HG3 GLN A 106 9.822 1.398 1.887 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.200 -0.986 1.368 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.324 -2.240 0.833 1.00 0.00 H new ATOM 1698 N LEU A 107 8.861 0.948 6.172 1.00 0.00 N ATOM 1699 CA LEU A 107 7.601 0.613 6.826 1.00 0.00 C ATOM 1700 C LEU A 107 7.087 1.804 7.639 1.00 0.00 C ATOM 1701 O LEU A 107 5.889 1.916 7.900 1.00 0.00 O ATOM 1702 CB LEU A 107 7.775 -0.615 7.729 1.00 0.00 C ATOM 1703 CG LEU A 107 6.469 -1.207 8.291 1.00 0.00 C ATOM 1704 CD1 LEU A 107 5.599 -1.770 7.168 1.00 0.00 C ATOM 1705 CD2 LEU A 107 6.767 -2.277 9.339 1.00 0.00 C ATOM 0 H LEU A 107 9.668 0.435 6.527 1.00 0.00 H new ATOM 0 HA LEU A 107 6.866 0.376 6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.293 -1.390 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.421 -0.343 8.564 1.00 0.00 H new ATOM 0 HG LEU A 107 5.914 -0.404 8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.682 -2.182 7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.350 -0.974 6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.144 -2.556 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.830 -2.682 9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.350 -3.079 8.885 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.334 -1.836 10.159 1.00 0.00 H new ATOM 1717 N GLN A 108 8.003 2.692 8.034 1.00 0.00 N ATOM 1718 CA GLN A 108 7.635 3.905 8.765 1.00 0.00 C ATOM 1719 C GLN A 108 6.749 4.794 7.888 1.00 0.00 C ATOM 1720 O GLN A 108 5.744 5.338 8.353 1.00 0.00 O ATOM 1721 CB GLN A 108 8.891 4.669 9.214 1.00 0.00 C ATOM 1722 CG GLN A 108 8.605 5.883 10.094 1.00 0.00 C ATOM 1723 CD GLN A 108 7.910 5.519 11.396 1.00 0.00 C ATOM 1724 OE1 GLN A 108 6.682 5.498 11.476 1.00 0.00 O ATOM 1725 NE2 GLN A 108 8.691 5.217 12.421 1.00 0.00 N ATOM 0 H GLN A 108 9.003 2.593 7.860 1.00 0.00 H new ATOM 0 HA GLN A 108 7.075 3.621 9.656 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.543 3.986 9.758 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.439 4.996 8.330 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.542 6.392 10.318 1.00 0.00 H new ATOM 0 HG3 GLN A 108 7.984 6.588 9.541 1.00 0.00 H new ATOM 0 HE21 GLN A 108 9.705 5.246 12.315 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.279 4.955 13.317 1.00 0.00 H new ATOM 1734 N ILE A 109 7.127 4.924 6.615 1.00 0.00 N ATOM 1735 CA ILE A 109 6.307 5.647 5.636 1.00 0.00 C ATOM 1736 C ILE A 109 4.935 4.984 5.501 1.00 0.00 C ATOM 1737 O ILE A 109 3.897 5.661 5.504 1.00 0.00 O ATOM 1738 CB ILE A 109 6.997 5.708 4.243 1.00 0.00 C ATOM 1739 CG1 ILE A 109 8.211 6.654 4.276 1.00 0.00 C ATOM 1740 CG2 ILE A 109 6.011 6.135 3.153 1.00 0.00 C ATOM 1741 CD1 ILE A 109 7.869 8.079 4.664 1.00 0.00 C ATOM 0 H ILE A 109 7.993 4.540 6.237 1.00 0.00 H new ATOM 0 HA ILE A 109 6.186 6.667 6.000 1.00 0.00 H new ATOM 0 HB ILE A 109 7.348 4.705 4.003 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.945 6.262 4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.682 6.659 3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.523 6.168 2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.191 5.418 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.615 7.123 3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.776 8.684 4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.159 8.491 3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.426 8.089 5.660 1.00 0.00 H new ATOM 1753 N PHE A 110 4.940 3.658 5.396 1.00 0.00 N ATOM 1754 CA PHE A 110 3.705 2.883 5.306 1.00 0.00 C ATOM 1755 C PHE A 110 2.783 3.217 6.484 1.00 0.00 C ATOM 1756 O PHE A 110 1.617 3.569 6.298 1.00 0.00 O ATOM 1757 CB PHE A 110 4.027 1.378 5.283 1.00 0.00 C ATOM 1758 CG PHE A 110 2.816 0.492 5.119 1.00 0.00 C ATOM 1759 CD1 PHE A 110 2.108 0.043 6.225 1.00 0.00 C ATOM 1760 CD2 PHE A 110 2.386 0.112 3.857 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.995 -0.762 6.073 1.00 0.00 C ATOM 1762 CE2 PHE A 110 1.276 -0.695 3.701 1.00 0.00 C ATOM 1763 CZ PHE A 110 0.580 -1.132 4.810 1.00 0.00 C ATOM 0 H PHE A 110 5.790 3.095 5.371 1.00 0.00 H new ATOM 0 HA PHE A 110 3.191 3.143 4.381 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.723 1.179 4.468 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.536 1.112 6.209 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.431 0.326 7.216 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.926 0.451 2.985 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.451 -1.101 6.942 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.953 -0.984 2.712 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.288 -1.763 4.689 1.00 0.00 H new ATOM 1773 N ASN A 111 3.334 3.128 7.693 1.00 0.00 N ATOM 1774 CA ASN A 111 2.581 3.387 8.924 1.00 0.00 C ATOM 1775 C ASN A 111 2.209 4.862 9.050 1.00 0.00 C ATOM 1776 O ASN A 111 1.305 5.218 9.807 1.00 0.00 O ATOM 1777 CB ASN A 111 3.392 2.944 10.154 1.00 0.00 C ATOM 1778 CG ASN A 111 3.513 1.432 10.273 1.00 0.00 C ATOM 1779 OD1 ASN A 111 2.615 0.689 9.879 1.00 0.00 O ATOM 1780 ND2 ASN A 111 4.626 0.967 10.822 1.00 0.00 N ATOM 0 H ASN A 111 4.310 2.876 7.849 1.00 0.00 H new ATOM 0 HA ASN A 111 1.659 2.807 8.875 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.390 3.380 10.101 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.920 3.337 11.054 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.760 -0.038 10.930 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.349 1.615 11.137 1.00 0.00 H new ATOM 1787 N LEU A 112 2.909 5.719 8.313 1.00 0.00 N ATOM 1788 CA LEU A 112 2.641 7.155 8.343 1.00 0.00 C ATOM 1789 C LEU A 112 1.253 7.429 7.761 1.00 0.00 C ATOM 1790 O LEU A 112 0.368 7.943 8.449 1.00 0.00 O ATOM 1791 CB LEU A 112 3.735 7.917 7.564 1.00 0.00 C ATOM 1792 CG LEU A 112 3.897 9.419 7.889 1.00 0.00 C ATOM 1793 CD1 LEU A 112 5.161 9.973 7.233 1.00 0.00 C ATOM 1794 CD2 LEU A 112 2.676 10.229 7.446 1.00 0.00 C ATOM 0 H LEU A 112 3.666 5.445 7.687 1.00 0.00 H new ATOM 0 HA LEU A 112 2.659 7.508 9.374 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.690 7.424 7.747 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.525 7.820 6.499 1.00 0.00 H new ATOM 0 HG LEU A 112 3.985 9.513 8.971 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.261 11.032 7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.031 9.433 7.607 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.094 9.849 6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.828 11.280 7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.541 10.124 6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.789 9.861 7.961 1.00 0.00 H new ATOM 1806 N MET A 113 1.057 7.050 6.501 1.00 0.00 N ATOM 1807 CA MET A 113 -0.207 7.322 5.810 1.00 0.00 C ATOM 1808 C MET A 113 -1.275 6.293 6.178 1.00 0.00 C ATOM 1809 O MET A 113 -2.465 6.515 5.942 1.00 0.00 O ATOM 1810 CB MET A 113 -0.004 7.354 4.290 1.00 0.00 C ATOM 1811 CG MET A 113 0.959 8.443 3.836 1.00 0.00 C ATOM 1812 SD MET A 113 0.414 10.088 4.346 1.00 0.00 S ATOM 1813 CE MET A 113 1.773 11.106 3.772 1.00 0.00 C ATOM 0 H MET A 113 1.750 6.557 5.938 1.00 0.00 H new ATOM 0 HA MET A 113 -0.553 8.303 6.136 1.00 0.00 H new ATOM 0 HB2 MET A 113 0.371 6.385 3.960 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.968 7.505 3.804 1.00 0.00 H new ATOM 0 HG2 MET A 113 1.949 8.246 4.248 1.00 0.00 H new ATOM 0 HG3 MET A 113 1.054 8.413 2.751 1.00 0.00 H new ATOM 0 HE1 MET A 113 1.910 11.947 4.452 1.00 0.00 H new ATOM 0 HE2 MET A 113 2.686 10.511 3.743 1.00 0.00 H new ATOM 0 HE3 MET A 113 1.551 11.479 2.772 1.00 0.00 H new ATOM 1823 N LYS A 114 -0.842 5.180 6.768 1.00 0.00 N ATOM 1824 CA LYS A 114 -1.745 4.101 7.179 1.00 0.00 C ATOM 1825 C LYS A 114 -2.817 4.610 8.150 1.00 0.00 C ATOM 1826 O LYS A 114 -3.893 4.019 8.270 1.00 0.00 O ATOM 1827 CB LYS A 114 -0.931 2.965 7.821 1.00 0.00 C ATOM 1828 CG LYS A 114 -1.762 1.778 8.298 1.00 0.00 C ATOM 1829 CD LYS A 114 -0.877 0.625 8.765 1.00 0.00 C ATOM 1830 CE LYS A 114 -1.689 -0.529 9.348 1.00 0.00 C ATOM 1831 NZ LYS A 114 -2.326 -0.169 10.643 1.00 0.00 N ATOM 0 H LYS A 114 0.140 4.999 6.975 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.257 3.723 6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.196 2.610 7.099 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.377 3.367 8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.412 2.093 9.115 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.408 1.437 7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.284 0.262 7.925 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.176 0.989 9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.459 -0.825 8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.039 -1.392 9.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.175 -0.936 11.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.902 0.709 11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.346 -0.028 10.500 1.00 0.00 H new ATOM 1845 N PHE A 115 -2.521 5.715 8.832 1.00 0.00 N ATOM 1846 CA PHE A 115 -3.441 6.288 9.814 1.00 0.00 C ATOM 1847 C PHE A 115 -3.862 7.707 9.426 1.00 0.00 C ATOM 1848 O PHE A 115 -4.306 8.479 10.279 1.00 0.00 O ATOM 1849 CB PHE A 115 -2.781 6.308 11.204 1.00 0.00 C ATOM 1850 CG PHE A 115 -2.415 4.942 11.731 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -3.359 4.152 12.371 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -1.123 4.451 11.590 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -3.024 2.903 12.857 1.00 0.00 C ATOM 1854 CE2 PHE A 115 -0.784 3.203 12.076 1.00 0.00 C ATOM 1855 CZ PHE A 115 -1.735 2.428 12.710 1.00 0.00 C ATOM 0 H PHE A 115 -1.649 6.233 8.722 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.333 5.663 9.839 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.881 6.921 11.158 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -3.459 6.788 11.910 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -4.368 4.518 12.491 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -0.375 5.052 11.095 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -3.769 2.298 13.352 1.00 0.00 H new ATOM 0 HE2 PHE A 115 0.224 2.834 11.960 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.472 1.452 13.090 1.00 0.00 H new ATOM 1865 N ASP A 116 -3.754 8.054 8.141 1.00 0.00 N ATOM 1866 CA ASP A 116 -4.082 9.415 7.706 1.00 0.00 C ATOM 1867 C ASP A 116 -4.513 9.455 6.239 1.00 0.00 C ATOM 1868 O ASP A 116 -5.706 9.455 5.942 1.00 0.00 O ATOM 1869 CB ASP A 116 -2.893 10.359 7.936 1.00 0.00 C ATOM 1870 CG ASP A 116 -3.279 11.822 7.767 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -3.711 12.443 8.764 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -3.156 12.357 6.644 1.00 0.00 O ATOM 0 H ASP A 116 -3.449 7.427 7.397 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.925 9.753 8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.496 10.203 8.939 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -2.095 10.112 7.236 1.00 0.00 H new ATOM 1877 N SER A 117 -3.543 9.475 5.323 1.00 0.00 N ATOM 1878 CA SER A 117 -3.835 9.580 3.893 1.00 0.00 C ATOM 1879 C SER A 117 -4.719 8.416 3.445 1.00 0.00 C ATOM 1880 O SER A 117 -5.633 8.591 2.639 1.00 0.00 O ATOM 1881 CB SER A 117 -2.532 9.626 3.082 1.00 0.00 C ATOM 1882 OG SER A 117 -2.779 9.918 1.718 1.00 0.00 O ATOM 0 H SER A 117 -2.549 9.420 5.546 1.00 0.00 H new ATOM 0 HA SER A 117 -4.378 10.508 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.867 10.381 3.502 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.018 8.668 3.163 1.00 0.00 H new ATOM 0 HG SER A 117 -2.726 9.093 1.192 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.450 7.231 3.991 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.325 6.077 3.795 1.00 0.00 C ATOM 1890 C TYR A 118 -6.762 6.428 4.195 1.00 0.00 C ATOM 1891 O TYR A 118 -7.707 6.190 3.439 1.00 0.00 O ATOM 1892 CB TYR A 118 -4.816 4.885 4.616 1.00 0.00 C ATOM 1893 CG TYR A 118 -5.770 3.705 4.659 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.173 3.065 3.490 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.272 3.237 5.869 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.046 1.996 3.528 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -7.144 2.169 5.912 1.00 0.00 C ATOM 1898 CZ TYR A 118 -7.527 1.552 4.741 1.00 0.00 C ATOM 1899 OH TYR A 118 -8.400 0.493 4.787 1.00 0.00 O ATOM 0 H TYR A 118 -3.633 7.045 4.573 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.317 5.803 2.740 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.864 4.553 4.202 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.621 5.217 5.636 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.797 3.410 2.538 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.974 3.717 6.789 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -7.350 1.510 2.613 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -7.525 1.818 6.860 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.388 0.022 3.928 1.00 0.00 H new ATOM 1909 N ALA A 119 -6.912 7.018 5.379 1.00 0.00 N ATOM 1910 CA ALA A 119 -8.226 7.409 5.888 1.00 0.00 C ATOM 1911 C ALA A 119 -8.833 8.522 5.031 1.00 0.00 C ATOM 1912 O ALA A 119 -10.052 8.691 4.978 1.00 0.00 O ATOM 1913 CB ALA A 119 -8.117 7.849 7.344 1.00 0.00 C ATOM 0 H ALA A 119 -6.138 7.237 6.006 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.888 6.545 5.834 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.102 8.138 7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.732 7.025 7.945 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.439 8.699 7.417 1.00 0.00 H new ATOM 1919 N ARG A 120 -7.967 9.281 4.372 1.00 0.00 N ATOM 1920 CA ARG A 120 -8.388 10.350 3.469 1.00 0.00 C ATOM 1921 C ARG A 120 -8.970 9.754 2.190 1.00 0.00 C ATOM 1922 O ARG A 120 -10.037 10.167 1.727 1.00 0.00 O ATOM 1923 CB ARG A 120 -7.185 11.257 3.159 1.00 0.00 C ATOM 1924 CG ARG A 120 -7.468 12.418 2.204 1.00 0.00 C ATOM 1925 CD ARG A 120 -6.240 13.317 2.065 1.00 0.00 C ATOM 1926 NE ARG A 120 -6.447 14.437 1.139 1.00 0.00 N ATOM 1927 CZ ARG A 120 -6.679 15.696 1.521 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -6.882 15.983 2.802 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -6.721 16.663 0.613 1.00 0.00 N ATOM 0 H ARG A 120 -6.955 9.175 4.446 1.00 0.00 H new ATOM 0 HA ARG A 120 -9.164 10.950 3.944 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.807 11.664 4.097 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.390 10.645 2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.753 12.030 1.226 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.312 13.001 2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -5.972 13.709 3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -5.397 12.719 1.719 1.00 0.00 H new ATOM 0 HE ARG A 120 -6.411 14.241 0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -6.861 15.240 3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -7.059 16.946 3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -6.576 16.444 -0.373 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.898 17.625 0.901 1.00 0.00 H new ATOM 1943 N PHE A 121 -8.281 8.747 1.659 1.00 0.00 N ATOM 1944 CA PHE A 121 -8.674 8.111 0.399 1.00 0.00 C ATOM 1945 C PHE A 121 -10.036 7.430 0.528 1.00 0.00 C ATOM 1946 O PHE A 121 -10.905 7.588 -0.331 1.00 0.00 O ATOM 1947 CB PHE A 121 -7.620 7.083 -0.044 1.00 0.00 C ATOM 1948 CG PHE A 121 -7.927 6.444 -1.380 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -7.595 7.089 -2.558 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.556 5.211 -1.455 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -7.879 6.523 -3.784 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -8.844 4.641 -2.679 1.00 0.00 C ATOM 1953 CZ PHE A 121 -8.505 5.296 -3.846 1.00 0.00 C ATOM 0 H PHE A 121 -7.442 8.350 2.083 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.746 8.894 -0.356 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -6.647 7.572 -0.099 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.543 6.303 0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.106 8.051 -2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.823 4.691 -0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.611 7.040 -4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -9.336 3.680 -2.724 1.00 0.00 H new ATOM 0 HZ PHE A 121 -8.729 4.849 -4.803 1.00 0.00 H new ATOM 1963 N VAL A 122 -10.224 6.689 1.616 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.445 5.905 1.816 1.00 0.00 C ATOM 1965 C VAL A 122 -12.655 6.800 2.136 1.00 0.00 C ATOM 1966 O VAL A 122 -13.741 6.303 2.446 1.00 0.00 O ATOM 1967 CB VAL A 122 -11.265 4.852 2.945 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -10.077 3.935 2.647 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -11.102 5.523 4.309 1.00 0.00 C ATOM 0 H VAL A 122 -9.547 6.613 2.375 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.637 5.387 0.876 1.00 0.00 H new ATOM 0 HB VAL A 122 -12.168 4.243 2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.970 3.206 3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.247 3.414 1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.167 4.531 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -10.978 4.760 5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -10.224 6.169 4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -11.987 6.119 4.529 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.461 8.118 2.075 1.00 0.00 N ATOM 1980 CA LYS A 123 -13.552 9.076 2.261 1.00 0.00 C ATOM 1981 C LYS A 123 -13.769 9.895 0.989 1.00 0.00 C ATOM 1982 O LYS A 123 -14.890 10.308 0.685 1.00 0.00 O ATOM 1983 CB LYS A 123 -13.253 10.021 3.434 1.00 0.00 C ATOM 1984 CG LYS A 123 -13.096 9.323 4.783 1.00 0.00 C ATOM 1985 CD LYS A 123 -13.138 10.313 5.950 1.00 0.00 C ATOM 1986 CE LYS A 123 -12.226 11.518 5.723 1.00 0.00 C ATOM 1987 NZ LYS A 123 -10.803 11.126 5.550 1.00 0.00 N ATOM 0 H LYS A 123 -11.553 8.548 1.897 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.458 8.512 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -12.339 10.573 3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -14.057 10.753 3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -13.890 8.586 4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -12.151 8.780 4.802 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -14.162 10.658 6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -12.841 9.803 6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -12.560 12.062 4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -12.312 12.200 6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -10.276 11.913 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -10.391 10.898 6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -10.745 10.293 4.931 1.00 0.00 H new ATOM 2001 N SER A 124 -12.684 10.116 0.251 1.00 0.00 N ATOM 2002 CA SER A 124 -12.709 10.948 -0.948 1.00 0.00 C ATOM 2003 C SER A 124 -13.508 10.290 -2.080 1.00 0.00 C ATOM 2004 O SER A 124 -13.781 9.085 -2.039 1.00 0.00 O ATOM 2005 CB SER A 124 -11.267 11.232 -1.396 1.00 0.00 C ATOM 2006 OG SER A 124 -10.510 10.037 -1.483 1.00 0.00 O ATOM 0 H SER A 124 -11.767 9.725 0.466 1.00 0.00 H new ATOM 0 HA SER A 124 -13.210 11.886 -0.708 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.277 11.730 -2.365 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.793 11.915 -0.691 1.00 0.00 H new ATOM 0 HG SER A 124 -9.580 10.254 -1.705 1.00 0.00 H new ATOM 2012 N PRO A 125 -13.917 11.086 -3.100 1.00 0.00 N ATOM 2013 CA PRO A 125 -14.547 10.556 -4.319 1.00 0.00 C ATOM 2014 C PRO A 125 -13.652 9.533 -5.026 1.00 0.00 C ATOM 2015 O PRO A 125 -12.635 9.104 -4.474 1.00 0.00 O ATOM 2016 CB PRO A 125 -14.751 11.805 -5.195 1.00 0.00 C ATOM 2017 CG PRO A 125 -14.774 12.942 -4.233 1.00 0.00 C ATOM 2018 CD PRO A 125 -13.823 12.561 -3.131 1.00 0.00 C ATOM 0 HA PRO A 125 -15.475 10.025 -4.106 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -13.945 11.916 -5.920 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -15.681 11.745 -5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.464 13.869 -4.715 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -15.779 13.106 -3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -12.807 12.896 -3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -14.113 13.003 -2.178 1.00 0.00 H new ATOM 2026 N LEU A 126 -14.028 9.156 -6.250 1.00 0.00 N ATOM 2027 CA LEU A 126 -13.334 8.105 -7.005 1.00 0.00 C ATOM 2028 C LEU A 126 -13.597 6.732 -6.378 1.00 0.00 C ATOM 2029 O LEU A 126 -14.183 5.861 -7.018 1.00 0.00 O ATOM 2030 CB LEU A 126 -11.821 8.383 -7.111 1.00 0.00 C ATOM 2031 CG LEU A 126 -11.441 9.626 -7.935 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -9.945 9.907 -7.833 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -11.858 9.453 -9.395 1.00 0.00 C ATOM 0 H LEU A 126 -14.819 9.567 -6.746 1.00 0.00 H new ATOM 0 HA LEU A 126 -13.734 8.105 -8.019 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.417 8.496 -6.105 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.337 7.512 -7.553 1.00 0.00 H new ATOM 0 HG LEU A 126 -11.977 10.482 -7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.700 10.790 -8.423 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -9.678 10.082 -6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.387 9.051 -8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -11.580 10.343 -9.961 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.354 8.583 -9.817 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -12.937 9.310 -9.451 1.00 0.00 H new ATOM 2045 N TYR A 127 -13.194 6.556 -5.118 1.00 0.00 N ATOM 2046 CA TYR A 127 -13.408 5.294 -4.408 1.00 0.00 C ATOM 2047 C TYR A 127 -14.908 5.015 -4.294 1.00 0.00 C ATOM 2048 O TYR A 127 -15.424 4.062 -4.882 1.00 0.00 O ATOM 2049 CB TYR A 127 -12.762 5.351 -3.009 1.00 0.00 C ATOM 2050 CG TYR A 127 -12.640 4.007 -2.293 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -13.281 2.860 -2.757 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -11.861 3.891 -1.145 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -13.151 1.650 -2.100 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -11.725 2.684 -0.488 1.00 0.00 C ATOM 2055 CZ TYR A 127 -12.371 1.568 -0.968 1.00 0.00 C ATOM 2056 OH TYR A 127 -12.227 0.363 -0.323 1.00 0.00 O ATOM 0 H TYR A 127 -12.718 7.271 -4.569 1.00 0.00 H new ATOM 0 HA TYR A 127 -12.939 4.485 -4.969 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -11.767 5.786 -3.103 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -13.347 6.026 -2.384 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -13.891 2.917 -3.647 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -11.353 4.763 -0.760 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -13.659 0.773 -2.473 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -11.114 2.616 0.400 1.00 0.00 H new ATOM 0 HH TYR A 127 -12.036 -0.339 -0.980 1.00 0.00 H new ATOM 2066 N ARG A 128 -15.608 5.873 -3.555 1.00 0.00 N ATOM 2067 CA ARG A 128 -17.054 5.738 -3.381 1.00 0.00 C ATOM 2068 C ARG A 128 -17.763 5.823 -4.732 1.00 0.00 C ATOM 2069 O ARG A 128 -18.861 5.302 -4.902 1.00 0.00 O ATOM 2070 CB ARG A 128 -17.583 6.817 -2.427 1.00 0.00 C ATOM 2071 CG ARG A 128 -17.433 8.242 -2.953 1.00 0.00 C ATOM 2072 CD ARG A 128 -17.907 9.271 -1.935 1.00 0.00 C ATOM 2073 NE ARG A 128 -17.863 10.631 -2.474 1.00 0.00 N ATOM 2074 CZ ARG A 128 -17.586 11.719 -1.752 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -17.266 11.614 -0.467 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -17.613 12.911 -2.327 1.00 0.00 N ATOM 0 H ARG A 128 -15.198 6.669 -3.067 1.00 0.00 H new ATOM 0 HA ARG A 128 -17.260 4.761 -2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -18.637 6.624 -2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -17.057 6.735 -1.476 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -16.388 8.430 -3.201 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -18.005 8.352 -3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -18.926 9.035 -1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -17.283 9.213 -1.043 1.00 0.00 H new ATOM 0 HE ARG A 128 -18.057 10.756 -3.468 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -17.230 10.696 -0.024 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -17.056 12.451 0.076 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -17.845 12.995 -3.317 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -17.402 13.746 -1.780 1.00 0.00 H new ATOM 2090 N GLU A 129 -17.108 6.464 -5.696 1.00 0.00 N ATOM 2091 CA GLU A 129 -17.645 6.586 -7.048 1.00 0.00 C ATOM 2092 C GLU A 129 -17.625 5.223 -7.746 1.00 0.00 C ATOM 2093 O GLU A 129 -18.470 4.934 -8.597 1.00 0.00 O ATOM 2094 CB GLU A 129 -16.827 7.614 -7.841 1.00 0.00 C ATOM 2095 CG GLU A 129 -17.384 7.926 -9.224 1.00 0.00 C ATOM 2096 CD GLU A 129 -16.571 8.985 -9.952 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -16.626 10.164 -9.548 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -15.873 8.643 -10.932 1.00 0.00 O ATOM 0 H GLU A 129 -16.200 6.909 -5.565 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.678 6.929 -6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -16.773 8.539 -7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -15.807 7.245 -7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -17.402 7.013 -9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.415 8.266 -9.129 1.00 0.00 H new ATOM 2105 N CYS A 130 -16.652 4.389 -7.376 1.00 0.00 N ATOM 2106 CA CYS A 130 -16.580 3.020 -7.875 1.00 0.00 C ATOM 2107 C CYS A 130 -17.663 2.166 -7.217 1.00 0.00 C ATOM 2108 O CYS A 130 -18.132 1.183 -7.794 1.00 0.00 O ATOM 2109 CB CYS A 130 -15.192 2.422 -7.614 1.00 0.00 C ATOM 2110 SG CYS A 130 -13.844 3.310 -8.428 1.00 0.00 S ATOM 0 H CYS A 130 -15.903 4.641 -6.731 1.00 0.00 H new ATOM 0 HA CYS A 130 -16.748 3.032 -8.952 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -15.009 2.410 -6.540 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -15.185 1.385 -7.950 1.00 0.00 H new ATOM 0 HG CYS A 130 -13.752 4.508 -7.932 1.00 0.00 H new