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 111 ASN : amide:sc= 1.03 K(o=2.3,f=-4.9) USER MOD Set 1.2: A 114 LYS NZ :NH3+ -157:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 74 SER OG : rot -132:sc= 1.31 USER MOD Set 2.2: A 76 GLN : amide:sc= 0.207 K(o=1.5,f=-1.2) USER MOD Set 3.1: A 59 GLN : amide:sc= 0 K(o=-1.6,f=-2.4) USER MOD Set 3.2: A 60 GLN :FLIP amide:sc= -1.61 F(o=-2.1,f=-1.6) USER MOD Set 4.1: A 47 CYS SG : rot 63:sc= 0.215 USER MOD Set 4.2: A 101 MET CE :methyl 154:sc= -0.0261 (180deg=-0.928) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 1:sc= 0.274 USER MOD Single : A 20 GLN :FLIP amide:sc= -1.23 F(o=-3.1!,f=-1.2) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -113:sc= 0.708 (180deg=-1.96) USER MOD Single : A 37 SER OG : rot 0:sc= -1.39! USER MOD Single : A 40 ASN : amide:sc= 0.527 K(o=0.53,f=-0.43) USER MOD Single : A 42 THR OG1 : rot 75:sc= 0.979 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0.22 K(o=0.22,f=-0.49) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -24:sc= 0.38 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -1.43! C(o=-1.4!,f=-6.5!) USER MOD Single : A 67 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.6) USER MOD Single : A 69 TYR OH : rot -148:sc= 0.799 USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0046 USER MOD Single : A 79 SER OG : rot 95:sc= 0.466 USER MOD Single : A 82 ASN : amide:sc= -0.0215 X(o=-0.022,f=-0.022) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= -1.8 K(o=-1.8,f=-7!) USER MOD Single : A 106 GLN : amide:sc= 0.0498 K(o=0.05,f=-1.9) USER MOD Single : A 108 GLN :FLIP amide:sc= -0.0881 F(o=-0.77,f=-0.088) USER MOD Single : A 113 MET CE :methyl -108:sc= -0.581 (180deg=-1.77) USER MOD Single : A 117 SER OG : rot -105:sc= 1.01 USER MOD Single : A 118 TYR OH : rot 22:sc= 1.12 USER MOD Single : A 123 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.23) USER MOD Single : A 124 SER OG : rot 65:sc= 1.25 USER MOD Single : A 127 TYR OH : rot -140:sc= 0.14 USER MOD Single : A 130 CYS SG : rot 77:sc= 0.843 USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 8 -12.651 -3.286 -6.192 1.00 0.00 N ATOM 107 CA VAL A 8 -12.281 -1.958 -5.689 1.00 0.00 C ATOM 108 C VAL A 8 -12.638 -1.793 -4.206 1.00 0.00 C ATOM 109 O VAL A 8 -12.160 -0.877 -3.541 1.00 0.00 O ATOM 110 CB VAL A 8 -12.962 -0.830 -6.506 1.00 0.00 C ATOM 111 CG1 VAL A 8 -12.509 -0.870 -7.965 1.00 0.00 C ATOM 112 CG2 VAL A 8 -14.485 -0.924 -6.405 1.00 0.00 C ATOM 0 HA VAL A 8 -11.200 -1.876 -5.802 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.657 0.126 -6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.999 -0.070 -8.520 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.428 -0.737 -8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.776 -1.832 -8.403 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.938 -0.122 -6.987 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.817 -1.887 -6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.787 -0.831 -5.362 1.00 0.00 H new ATOM 122 N ALA A 9 -13.477 -2.689 -3.693 1.00 0.00 N ATOM 123 CA ALA A 9 -13.899 -2.639 -2.293 1.00 0.00 C ATOM 124 C ALA A 9 -12.821 -3.206 -1.366 1.00 0.00 C ATOM 125 O ALA A 9 -12.940 -3.129 -0.142 1.00 0.00 O ATOM 126 CB ALA A 9 -15.210 -3.398 -2.114 1.00 0.00 C ATOM 0 H ALA A 9 -13.880 -3.460 -4.226 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.053 -1.595 -2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -15.516 -3.355 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -15.981 -2.944 -2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.071 -4.438 -2.409 1.00 0.00 H new ATOM 132 N SER A 10 -11.768 -3.768 -1.956 1.00 0.00 N ATOM 133 CA SER A 10 -10.680 -4.373 -1.190 1.00 0.00 C ATOM 134 C SER A 10 -9.850 -3.304 -0.478 1.00 0.00 C ATOM 135 O SER A 10 -9.143 -3.595 0.491 1.00 0.00 O ATOM 136 CB SER A 10 -9.776 -5.196 -2.116 1.00 0.00 C ATOM 137 OG SER A 10 -10.528 -6.146 -2.849 1.00 0.00 O ATOM 0 H SER A 10 -11.645 -3.817 -2.967 1.00 0.00 H new ATOM 0 HA SER A 10 -11.120 -5.028 -0.438 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.254 -4.532 -2.804 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.015 -5.707 -1.526 1.00 0.00 H new ATOM 0 HG SER A 10 -9.929 -6.657 -3.433 1.00 0.00 H new ATOM 143 N TRP A 11 -9.952 -2.068 -0.955 1.00 0.00 N ATOM 144 CA TRP A 11 -9.138 -0.974 -0.440 1.00 0.00 C ATOM 145 C TRP A 11 -9.434 -0.724 1.040 1.00 0.00 C ATOM 146 O TRP A 11 -8.514 -0.568 1.844 1.00 0.00 O ATOM 147 CB TRP A 11 -9.381 0.308 -1.252 1.00 0.00 C ATOM 148 CG TRP A 11 -9.245 0.129 -2.739 1.00 0.00 C ATOM 149 CD1 TRP A 11 -8.646 -0.909 -3.401 1.00 0.00 C ATOM 150 CD2 TRP A 11 -9.719 1.025 -3.750 1.00 0.00 C ATOM 151 NE1 TRP A 11 -8.741 -0.721 -4.756 1.00 0.00 N ATOM 152 CE2 TRP A 11 -9.392 0.462 -4.996 1.00 0.00 C ATOM 153 CE3 TRP A 11 -10.395 2.246 -3.720 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -9.720 1.083 -6.200 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -10.720 2.862 -4.911 1.00 0.00 C ATOM 156 CH2 TRP A 11 -10.383 2.280 -6.138 1.00 0.00 C ATOM 0 H TRP A 11 -10.594 -1.799 -1.701 1.00 0.00 H new ATOM 0 HA TRP A 11 -8.090 -1.258 -0.539 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.382 0.680 -1.032 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.677 1.072 -0.923 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.168 -1.753 -2.925 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.385 -1.357 -5.469 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.660 2.702 -2.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -9.461 0.636 -7.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -11.242 3.807 -4.896 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -10.651 2.785 -7.054 1.00 0.00 H new ATOM 167 N ALA A 12 -10.720 -0.714 1.398 1.00 0.00 N ATOM 168 CA ALA A 12 -11.139 -0.440 2.777 1.00 0.00 C ATOM 169 C ALA A 12 -10.819 -1.605 3.712 1.00 0.00 C ATOM 170 O ALA A 12 -10.893 -1.464 4.934 1.00 0.00 O ATOM 171 CB ALA A 12 -12.627 -0.119 2.837 1.00 0.00 C ATOM 0 H ALA A 12 -11.490 -0.892 0.753 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.573 0.428 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.915 0.081 3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.835 0.759 2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.198 -0.967 2.459 1.00 0.00 H new ATOM 177 N LEU A 13 -10.476 -2.756 3.141 1.00 0.00 N ATOM 178 CA LEU A 13 -10.116 -3.919 3.944 1.00 0.00 C ATOM 179 C LEU A 13 -8.769 -3.683 4.625 1.00 0.00 C ATOM 180 O LEU A 13 -8.625 -3.889 5.832 1.00 0.00 O ATOM 181 CB LEU A 13 -10.066 -5.187 3.079 1.00 0.00 C ATOM 182 CG LEU A 13 -11.385 -5.559 2.375 1.00 0.00 C ATOM 183 CD1 LEU A 13 -11.229 -6.850 1.575 1.00 0.00 C ATOM 184 CD2 LEU A 13 -12.522 -5.684 3.387 1.00 0.00 C ATOM 0 H LEU A 13 -10.440 -2.908 2.133 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.880 -4.063 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.293 -5.059 2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.761 -6.024 3.708 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.635 -4.758 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.173 -7.092 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.454 -6.719 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.949 -7.662 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.444 -5.947 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.280 -6.461 4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.655 -4.734 3.904 1.00 0.00 H new ATOM 196 N SER A 14 -7.791 -3.230 3.845 1.00 0.00 N ATOM 197 CA SER A 14 -6.457 -2.928 4.357 1.00 0.00 C ATOM 198 C SER A 14 -5.738 -1.951 3.429 1.00 0.00 C ATOM 199 O SER A 14 -5.892 -2.013 2.202 1.00 0.00 O ATOM 200 CB SER A 14 -5.622 -4.212 4.499 1.00 0.00 C ATOM 201 OG SER A 14 -6.195 -5.115 5.434 1.00 0.00 O ATOM 0 H SER A 14 -7.900 -3.062 2.845 1.00 0.00 H new ATOM 0 HA SER A 14 -6.571 -2.472 5.340 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.538 -4.700 3.528 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.611 -3.955 4.815 1.00 0.00 H new ATOM 0 HG SER A 14 -7.024 -4.734 5.791 1.00 0.00 H new ATOM 207 N PHE A 15 -4.947 -1.055 4.018 1.00 0.00 N ATOM 208 CA PHE A 15 -4.131 -0.124 3.246 1.00 0.00 C ATOM 209 C PHE A 15 -3.166 -0.906 2.364 1.00 0.00 C ATOM 210 O PHE A 15 -2.848 -0.487 1.257 1.00 0.00 O ATOM 211 CB PHE A 15 -3.366 0.828 4.180 1.00 0.00 C ATOM 212 CG PHE A 15 -2.468 1.815 3.465 1.00 0.00 C ATOM 213 CD1 PHE A 15 -2.941 2.562 2.393 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.151 1.996 3.867 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.122 3.465 1.741 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.330 2.899 3.219 1.00 0.00 C ATOM 217 CZ PHE A 15 -0.816 3.633 2.155 1.00 0.00 C ATOM 0 H PHE A 15 -4.855 -0.956 5.029 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.780 0.480 2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.085 1.381 4.784 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.761 0.236 4.867 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.962 2.435 2.065 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.764 1.424 4.697 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.504 4.038 0.909 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.691 3.031 3.545 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.175 4.338 1.647 1.00 0.00 H new ATOM 227 N GLU A 16 -2.726 -2.060 2.871 1.00 0.00 N ATOM 228 CA GLU A 16 -1.896 -2.987 2.106 1.00 0.00 C ATOM 229 C GLU A 16 -2.518 -3.254 0.733 1.00 0.00 C ATOM 230 O GLU A 16 -1.830 -3.232 -0.284 1.00 0.00 O ATOM 231 CB GLU A 16 -1.726 -4.305 2.881 1.00 0.00 C ATOM 232 CG GLU A 16 -0.872 -5.348 2.164 1.00 0.00 C ATOM 233 CD GLU A 16 -0.719 -6.634 2.965 1.00 0.00 C ATOM 234 OE1 GLU A 16 -1.600 -7.516 2.866 1.00 0.00 O ATOM 235 OE2 GLU A 16 0.280 -6.770 3.703 1.00 0.00 O ATOM 0 H GLU A 16 -2.935 -2.375 3.818 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.915 -2.537 1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.277 -4.088 3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.711 -4.729 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.322 -5.578 1.198 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.114 -4.929 1.965 1.00 0.00 H new ATOM 242 N ARG A 17 -3.834 -3.474 0.716 1.00 0.00 N ATOM 243 CA ARG A 17 -4.554 -3.740 -0.525 1.00 0.00 C ATOM 244 C ARG A 17 -4.532 -2.521 -1.440 1.00 0.00 C ATOM 245 O ARG A 17 -4.090 -2.611 -2.579 1.00 0.00 O ATOM 246 CB ARG A 17 -6.003 -4.164 -0.239 1.00 0.00 C ATOM 247 CG ARG A 17 -6.123 -5.569 0.343 1.00 0.00 C ATOM 248 CD ARG A 17 -5.606 -6.624 -0.633 1.00 0.00 C ATOM 249 NE ARG A 17 -5.606 -7.966 -0.049 1.00 0.00 N ATOM 250 CZ ARG A 17 -5.668 -9.096 -0.761 1.00 0.00 C ATOM 251 NH1 ARG A 17 -5.760 -9.049 -2.090 1.00 0.00 N ATOM 252 NH2 ARG A 17 -5.635 -10.271 -0.142 1.00 0.00 N ATOM 0 H ARG A 17 -4.421 -3.473 1.550 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.048 -4.561 -1.033 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.451 -3.453 0.455 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.577 -4.112 -1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.561 -5.627 1.275 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.165 -5.776 0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.225 -6.620 -1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.594 -6.365 -0.943 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.555 -8.044 0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.783 -8.148 -2.568 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.807 -9.914 -2.629 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.563 -10.310 0.875 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.682 -11.134 -0.683 1.00 0.00 H new ATOM 266 N LEU A 18 -4.986 -1.379 -0.927 1.00 0.00 N ATOM 267 CA LEU A 18 -5.030 -0.143 -1.720 1.00 0.00 C ATOM 268 C LEU A 18 -3.632 0.216 -2.234 1.00 0.00 C ATOM 269 O LEU A 18 -3.474 0.754 -3.329 1.00 0.00 O ATOM 270 CB LEU A 18 -5.624 1.007 -0.874 1.00 0.00 C ATOM 271 CG LEU A 18 -5.775 2.375 -1.585 1.00 0.00 C ATOM 272 CD1 LEU A 18 -6.906 3.187 -0.960 1.00 0.00 C ATOM 273 CD2 LEU A 18 -4.475 3.180 -1.524 1.00 0.00 C ATOM 0 H LEU A 18 -5.328 -1.280 0.029 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.673 -0.301 -2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.606 0.697 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.994 1.146 0.005 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.012 2.174 -2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.994 4.144 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.843 2.637 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.690 3.361 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.614 4.134 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.206 3.359 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.678 2.621 -2.014 1.00 0.00 H new ATOM 285 N LEU A 19 -2.628 -0.112 -1.433 1.00 0.00 N ATOM 286 CA LEU A 19 -1.237 0.222 -1.729 1.00 0.00 C ATOM 287 C LEU A 19 -0.611 -0.828 -2.651 1.00 0.00 C ATOM 288 O LEU A 19 0.478 -0.634 -3.194 1.00 0.00 O ATOM 289 CB LEU A 19 -0.464 0.327 -0.406 1.00 0.00 C ATOM 290 CG LEU A 19 0.973 0.862 -0.495 1.00 0.00 C ATOM 291 CD1 LEU A 19 1.024 2.205 -1.218 1.00 0.00 C ATOM 292 CD2 LEU A 19 1.582 0.988 0.896 1.00 0.00 C ATOM 0 H LEU A 19 -2.753 -0.619 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.192 1.178 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.027 0.972 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.433 -0.662 0.051 1.00 0.00 H new ATOM 0 HG LEU A 19 1.558 0.147 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.055 2.555 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.636 2.089 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.418 2.932 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.600 1.368 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.984 1.676 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.598 0.010 1.376 1.00 0.00 H new ATOM 304 N GLN A 20 -1.300 -1.951 -2.803 1.00 0.00 N ATOM 305 CA GLN A 20 -0.894 -2.998 -3.745 1.00 0.00 C ATOM 306 C GLN A 20 -1.862 -3.065 -4.928 1.00 0.00 C ATOM 307 O GLN A 20 -1.714 -3.908 -5.819 1.00 0.00 O ATOM 308 CB GLN A 20 -0.822 -4.361 -3.041 1.00 0.00 C ATOM 309 CG GLN A 20 0.370 -4.497 -2.101 1.00 0.00 C ATOM 310 CD GLN A 20 1.699 -4.462 -2.839 1.00 0.00 C ATOM 311 OE1 GLN A 20 2.217 -3.268 -3.077 1.00 0.00 O flip ATOM 312 NE2 GLN A 20 2.242 -5.502 -3.214 1.00 0.00 N flip ATOM 0 H GLN A 20 -2.151 -2.166 -2.283 1.00 0.00 H new ATOM 0 HA GLN A 20 0.098 -2.749 -4.122 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.740 -4.518 -2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.773 -5.148 -3.794 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.344 -3.691 -1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.289 -5.434 -1.549 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.811 -6.404 -3.011 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.122 -5.461 -3.727 1.00 0.00 H new ATOM 321 N ASP A 21 -2.853 -2.178 -4.926 1.00 0.00 N ATOM 322 CA ASP A 21 -3.859 -2.124 -5.987 1.00 0.00 C ATOM 323 C ASP A 21 -3.552 -0.957 -6.929 1.00 0.00 C ATOM 324 O ASP A 21 -3.461 0.193 -6.489 1.00 0.00 O ATOM 325 CB ASP A 21 -5.262 -1.961 -5.376 1.00 0.00 C ATOM 326 CG ASP A 21 -6.386 -2.131 -6.394 1.00 0.00 C ATOM 327 OD1 ASP A 21 -6.462 -1.331 -7.343 1.00 0.00 O ATOM 328 OD2 ASP A 21 -7.216 -3.048 -6.227 1.00 0.00 O ATOM 0 H ASP A 21 -2.983 -1.479 -4.194 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.833 -3.054 -6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.390 -2.692 -4.578 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.340 -0.974 -4.920 1.00 0.00 H new ATOM 333 N PRO A 22 -3.380 -1.232 -8.238 1.00 0.00 N ATOM 334 CA PRO A 22 -3.035 -0.199 -9.223 1.00 0.00 C ATOM 335 C PRO A 22 -4.156 0.827 -9.407 1.00 0.00 C ATOM 336 O PRO A 22 -3.897 2.003 -9.676 1.00 0.00 O ATOM 337 CB PRO A 22 -2.799 -0.998 -10.515 1.00 0.00 C ATOM 338 CG PRO A 22 -3.576 -2.258 -10.330 1.00 0.00 C ATOM 339 CD PRO A 22 -3.510 -2.566 -8.857 1.00 0.00 C ATOM 0 HA PRO A 22 -2.170 0.389 -8.915 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.143 -0.446 -11.390 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.739 -1.205 -10.664 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.608 -2.133 -10.658 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.150 -3.070 -10.919 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.406 -3.084 -8.513 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.661 -3.206 -8.617 1.00 0.00 H new ATOM 347 N LEU A 23 -5.397 0.378 -9.246 1.00 0.00 N ATOM 348 CA LEU A 23 -6.564 1.238 -9.421 1.00 0.00 C ATOM 349 C LEU A 23 -6.724 2.111 -8.174 1.00 0.00 C ATOM 350 O LEU A 23 -7.040 3.306 -8.259 1.00 0.00 O ATOM 351 CB LEU A 23 -7.814 0.364 -9.670 1.00 0.00 C ATOM 352 CG LEU A 23 -8.969 1.017 -10.461 1.00 0.00 C ATOM 353 CD1 LEU A 23 -10.010 -0.031 -10.852 1.00 0.00 C ATOM 354 CD2 LEU A 23 -9.624 2.138 -9.662 1.00 0.00 C ATOM 0 H LEU A 23 -5.622 -0.584 -8.993 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.437 1.890 -10.285 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.501 -0.534 -10.203 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.202 0.042 -8.704 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.547 1.451 -11.368 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.816 0.447 -11.408 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.542 -0.794 -11.474 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.415 -0.495 -9.953 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.433 2.577 -10.246 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.025 1.735 -8.732 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.883 2.904 -9.435 1.00 0.00 H new ATOM 366 N GLY A 24 -6.469 1.503 -7.018 1.00 0.00 N ATOM 367 CA GLY A 24 -6.499 2.225 -5.762 1.00 0.00 C ATOM 368 C GLY A 24 -5.477 3.339 -5.734 1.00 0.00 C ATOM 369 O GLY A 24 -5.826 4.510 -5.570 1.00 0.00 O ATOM 0 H GLY A 24 -6.240 0.513 -6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.494 2.640 -5.604 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.308 1.535 -4.940 1.00 0.00 H new ATOM 373 N LEU A 25 -4.210 2.971 -5.914 1.00 0.00 N ATOM 374 CA LEU A 25 -3.122 3.945 -5.987 1.00 0.00 C ATOM 375 C LEU A 25 -3.357 4.976 -7.089 1.00 0.00 C ATOM 376 O LEU A 25 -2.869 6.099 -6.991 1.00 0.00 O ATOM 377 CB LEU A 25 -1.773 3.246 -6.198 1.00 0.00 C ATOM 378 CG LEU A 25 -1.211 2.531 -4.961 1.00 0.00 C ATOM 379 CD1 LEU A 25 0.115 1.848 -5.287 1.00 0.00 C ATOM 380 CD2 LEU A 25 -1.044 3.521 -3.807 1.00 0.00 C ATOM 0 H LEU A 25 -3.910 2.001 -6.012 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.100 4.472 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.880 2.518 -7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.046 3.986 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.919 1.761 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.495 1.348 -4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.039 1.114 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.836 2.594 -5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.645 3.001 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.356 4.313 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.012 3.956 -3.558 1.00 0.00 H new ATOM 392 N ALA A 26 -4.096 4.597 -8.132 1.00 0.00 N ATOM 393 CA ALA A 26 -4.407 5.518 -9.225 1.00 0.00 C ATOM 394 C ALA A 26 -5.148 6.749 -8.702 1.00 0.00 C ATOM 395 O ALA A 26 -4.692 7.881 -8.872 1.00 0.00 O ATOM 396 CB ALA A 26 -5.225 4.818 -10.308 1.00 0.00 C ATOM 0 H ALA A 26 -4.489 3.662 -8.243 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.467 5.847 -9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.444 5.522 -11.110 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.657 3.978 -10.708 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.159 4.453 -9.880 1.00 0.00 H new ATOM 402 N TYR A 27 -6.278 6.523 -8.036 1.00 0.00 N ATOM 403 CA TYR A 27 -7.067 7.627 -7.489 1.00 0.00 C ATOM 404 C TYR A 27 -6.408 8.190 -6.229 1.00 0.00 C ATOM 405 O TYR A 27 -6.518 9.385 -5.934 1.00 0.00 O ATOM 406 CB TYR A 27 -8.502 7.175 -7.192 1.00 0.00 C ATOM 407 CG TYR A 27 -9.342 6.945 -8.437 1.00 0.00 C ATOM 408 CD1 TYR A 27 -9.815 8.019 -9.183 1.00 0.00 C ATOM 409 CD2 TYR A 27 -9.670 5.662 -8.859 1.00 0.00 C ATOM 410 CE1 TYR A 27 -10.591 7.822 -10.309 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.445 5.457 -9.986 1.00 0.00 C ATOM 412 CZ TYR A 27 -10.903 6.540 -10.707 1.00 0.00 C ATOM 413 OH TYR A 27 -11.679 6.337 -11.831 1.00 0.00 O ATOM 0 H TYR A 27 -6.666 5.596 -7.863 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.107 8.419 -8.237 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.470 6.253 -6.611 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.989 7.927 -6.570 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.571 9.026 -8.877 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.314 4.811 -8.298 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.951 8.669 -10.875 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.691 4.453 -10.300 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.804 5.375 -11.973 1.00 0.00 H new ATOM 423 N PHE A 28 -5.707 7.327 -5.502 1.00 0.00 N ATOM 424 CA PHE A 28 -5.010 7.726 -4.284 1.00 0.00 C ATOM 425 C PHE A 28 -3.951 8.779 -4.606 1.00 0.00 C ATOM 426 O PHE A 28 -3.866 9.819 -3.946 1.00 0.00 O ATOM 427 CB PHE A 28 -4.368 6.499 -3.618 1.00 0.00 C ATOM 428 CG PHE A 28 -3.775 6.766 -2.256 1.00 0.00 C ATOM 429 CD1 PHE A 28 -4.587 6.819 -1.131 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.407 6.952 -2.097 1.00 0.00 C ATOM 431 CE1 PHE A 28 -4.049 7.054 0.119 1.00 0.00 C ATOM 432 CE2 PHE A 28 -1.867 7.188 -0.847 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.687 7.238 0.261 1.00 0.00 C ATOM 0 H PHE A 28 -5.606 6.340 -5.737 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.729 8.160 -3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.121 5.716 -3.526 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.586 6.114 -4.272 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.652 6.675 -1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.759 6.912 -2.960 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.693 7.094 0.985 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.802 7.333 -0.738 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.265 7.421 1.238 1.00 0.00 H new ATOM 443 N THR A 29 -3.159 8.517 -5.645 1.00 0.00 N ATOM 444 CA THR A 29 -2.114 9.442 -6.057 1.00 0.00 C ATOM 445 C THR A 29 -2.731 10.660 -6.739 1.00 0.00 C ATOM 446 O THR A 29 -2.153 11.743 -6.716 1.00 0.00 O ATOM 447 CB THR A 29 -1.073 8.777 -6.998 1.00 0.00 C ATOM 448 OG1 THR A 29 0.091 9.612 -7.118 1.00 0.00 O ATOM 449 CG2 THR A 29 -1.649 8.521 -8.389 1.00 0.00 C ATOM 0 H THR A 29 -3.224 7.672 -6.213 1.00 0.00 H new ATOM 0 HA THR A 29 -1.585 9.753 -5.156 1.00 0.00 H new ATOM 0 HB THR A 29 -0.802 7.818 -6.556 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.742 9.183 -7.712 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.890 8.055 -9.017 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.511 7.858 -8.310 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.958 9.467 -8.835 1.00 0.00 H new ATOM 457 N GLU A 30 -3.917 10.474 -7.331 1.00 0.00 N ATOM 458 CA GLU A 30 -4.648 11.564 -7.978 1.00 0.00 C ATOM 459 C GLU A 30 -4.828 12.715 -6.983 1.00 0.00 C ATOM 460 O GLU A 30 -4.675 13.890 -7.323 1.00 0.00 O ATOM 461 CB GLU A 30 -6.018 11.061 -8.482 1.00 0.00 C ATOM 462 CG GLU A 30 -6.572 11.813 -9.695 1.00 0.00 C ATOM 463 CD GLU A 30 -6.869 13.278 -9.418 1.00 0.00 C ATOM 464 OE1 GLU A 30 -7.899 13.574 -8.780 1.00 0.00 O ATOM 465 OE2 GLU A 30 -6.083 14.149 -9.846 1.00 0.00 O ATOM 0 H GLU A 30 -4.391 9.572 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.081 11.923 -8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.930 10.005 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.738 11.134 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.855 11.744 -10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.486 11.322 -10.030 1.00 0.00 H new ATOM 472 N PHE A 31 -5.160 12.361 -5.746 1.00 0.00 N ATOM 473 CA PHE A 31 -5.247 13.339 -4.664 1.00 0.00 C ATOM 474 C PHE A 31 -3.853 13.718 -4.162 1.00 0.00 C ATOM 475 O PHE A 31 -3.541 14.897 -4.000 1.00 0.00 O ATOM 476 CB PHE A 31 -6.089 12.783 -3.504 1.00 0.00 C ATOM 477 CG PHE A 31 -7.571 12.744 -3.784 1.00 0.00 C ATOM 478 CD1 PHE A 31 -8.065 12.098 -4.908 1.00 0.00 C ATOM 479 CD2 PHE A 31 -8.470 13.361 -2.922 1.00 0.00 C ATOM 480 CE1 PHE A 31 -9.421 12.067 -5.164 1.00 0.00 C ATOM 481 CE2 PHE A 31 -9.828 13.330 -3.176 1.00 0.00 C ATOM 482 CZ PHE A 31 -10.304 12.682 -4.298 1.00 0.00 C ATOM 0 H PHE A 31 -5.374 11.404 -5.466 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.731 14.234 -5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.747 11.774 -3.271 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.913 13.392 -2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.381 11.614 -5.590 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.103 13.871 -2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.792 11.561 -6.043 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.516 13.812 -2.497 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.365 12.656 -4.498 1.00 0.00 H new ATOM 492 N LEU A 32 -3.009 12.706 -3.968 1.00 0.00 N ATOM 493 CA LEU A 32 -1.705 12.878 -3.317 1.00 0.00 C ATOM 494 C LEU A 32 -0.677 13.563 -4.240 1.00 0.00 C ATOM 495 O LEU A 32 0.507 13.672 -3.899 1.00 0.00 O ATOM 496 CB LEU A 32 -1.193 11.503 -2.847 1.00 0.00 C ATOM 497 CG LEU A 32 -0.050 11.523 -1.821 1.00 0.00 C ATOM 498 CD1 LEU A 32 -0.475 12.242 -0.544 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.413 10.103 -1.506 1.00 0.00 C ATOM 0 H LEU A 32 -3.205 11.747 -4.255 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.834 13.537 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.030 10.953 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.860 10.944 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 32 0.785 12.071 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.352 12.242 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.751 13.270 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.330 11.728 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.223 10.138 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.420 9.531 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.767 9.625 -2.419 1.00 0.00 H new ATOM 511 N LYS A 33 -1.122 14.023 -5.408 1.00 0.00 N ATOM 512 CA LYS A 33 -0.254 14.770 -6.324 1.00 0.00 C ATOM 513 C LYS A 33 -0.649 16.246 -6.363 1.00 0.00 C ATOM 514 O LYS A 33 -0.023 17.047 -7.056 1.00 0.00 O ATOM 515 CB LYS A 33 -0.302 14.151 -7.737 1.00 0.00 C ATOM 516 CG LYS A 33 -1.691 14.144 -8.389 1.00 0.00 C ATOM 517 CD LYS A 33 -1.967 15.394 -9.228 1.00 0.00 C ATOM 518 CE LYS A 33 -1.116 15.433 -10.495 1.00 0.00 C ATOM 519 NZ LYS A 33 -1.469 16.583 -11.369 1.00 0.00 N ATOM 0 H LYS A 33 -2.076 13.893 -5.744 1.00 0.00 H new ATOM 0 HA LYS A 33 0.770 14.706 -5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.384 14.700 -8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.063 13.126 -7.682 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.784 13.261 -9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.450 14.061 -7.611 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.022 15.423 -9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.767 16.283 -8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.063 15.495 -10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.248 14.503 -11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.868 16.572 -12.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.467 16.511 -11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.319 17.472 -10.850 1.00 0.00 H new ATOM 533 N LYS A 34 -1.679 16.603 -5.598 1.00 0.00 N ATOM 534 CA LYS A 34 -2.203 17.970 -5.597 1.00 0.00 C ATOM 535 C LYS A 34 -1.388 18.877 -4.674 1.00 0.00 C ATOM 536 O LYS A 34 -1.421 20.104 -4.804 1.00 0.00 O ATOM 537 CB LYS A 34 -3.683 17.970 -5.190 1.00 0.00 C ATOM 538 CG LYS A 34 -4.596 17.320 -6.230 1.00 0.00 C ATOM 539 CD LYS A 34 -6.054 17.290 -5.776 1.00 0.00 C ATOM 540 CE LYS A 34 -6.994 16.873 -6.903 1.00 0.00 C ATOM 541 NZ LYS A 34 -6.607 15.569 -7.505 1.00 0.00 N ATOM 0 H LYS A 34 -2.168 15.965 -4.970 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.118 18.367 -6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.792 17.444 -4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.007 18.997 -5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.521 17.867 -7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.256 16.303 -6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.160 16.598 -4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.341 18.276 -5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.012 16.806 -6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.995 17.642 -7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.289 15.719 -8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.835 15.146 -6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.426 14.928 -7.502 1.00 0.00 H new ATOM 555 N GLU A 35 -0.667 18.272 -3.736 1.00 0.00 N ATOM 556 CA GLU A 35 0.254 19.011 -2.867 1.00 0.00 C ATOM 557 C GLU A 35 1.646 18.377 -2.926 1.00 0.00 C ATOM 558 O GLU A 35 2.564 18.792 -2.213 1.00 0.00 O ATOM 559 CB GLU A 35 -0.270 19.066 -1.419 1.00 0.00 C ATOM 560 CG GLU A 35 -0.278 17.728 -0.685 1.00 0.00 C ATOM 561 CD GLU A 35 -1.083 16.660 -1.402 1.00 0.00 C ATOM 562 OE1 GLU A 35 -2.315 16.600 -1.196 1.00 0.00 O ATOM 563 OE2 GLU A 35 -0.484 15.895 -2.190 1.00 0.00 O ATOM 0 H GLU A 35 -0.700 17.269 -3.555 1.00 0.00 H new ATOM 0 HA GLU A 35 0.323 20.038 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.341 19.770 -0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.285 19.463 -1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.748 17.381 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.686 17.872 0.315 1.00 0.00 H new ATOM 570 N PHE A 36 1.768 17.348 -3.772 1.00 0.00 N ATOM 571 CA PHE A 36 3.051 16.721 -4.097 1.00 0.00 C ATOM 572 C PHE A 36 3.558 15.874 -2.927 1.00 0.00 C ATOM 573 O PHE A 36 4.750 15.582 -2.821 1.00 0.00 O ATOM 574 CB PHE A 36 4.085 17.790 -4.506 1.00 0.00 C ATOM 575 CG PHE A 36 5.329 17.238 -5.168 1.00 0.00 C ATOM 576 CD1 PHE A 36 5.280 16.757 -6.470 1.00 0.00 C ATOM 577 CD2 PHE A 36 6.545 17.210 -4.496 1.00 0.00 C ATOM 578 CE1 PHE A 36 6.415 16.259 -7.084 1.00 0.00 C ATOM 579 CE2 PHE A 36 7.681 16.712 -5.105 1.00 0.00 C ATOM 580 CZ PHE A 36 7.615 16.236 -6.400 1.00 0.00 C ATOM 0 H PHE A 36 0.974 16.925 -4.253 1.00 0.00 H new ATOM 0 HA PHE A 36 2.903 16.053 -4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.609 18.496 -5.187 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.379 18.351 -3.619 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.345 16.772 -7.009 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.603 17.583 -3.484 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.363 15.889 -8.097 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.619 16.695 -4.569 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.502 15.846 -6.878 1.00 0.00 H new ATOM 590 N SER A 37 2.643 15.439 -2.069 1.00 0.00 N ATOM 591 CA SER A 37 3.002 14.588 -0.936 1.00 0.00 C ATOM 592 C SER A 37 3.158 13.130 -1.384 1.00 0.00 C ATOM 593 O SER A 37 3.364 12.228 -0.565 1.00 0.00 O ATOM 594 CB SER A 37 1.948 14.705 0.166 1.00 0.00 C ATOM 595 OG SER A 37 1.892 16.025 0.679 1.00 0.00 O ATOM 0 H SER A 37 1.649 15.659 -2.134 1.00 0.00 H new ATOM 0 HA SER A 37 3.959 14.924 -0.538 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.972 14.423 -0.228 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.180 14.008 0.971 1.00 0.00 H new ATOM 0 HG SER A 37 2.548 16.585 0.214 1.00 0.00 H new ATOM 601 N ALA A 38 3.073 12.915 -2.699 1.00 0.00 N ATOM 602 CA ALA A 38 3.238 11.590 -3.298 1.00 0.00 C ATOM 603 C ALA A 38 4.622 11.005 -3.022 1.00 0.00 C ATOM 604 O ALA A 38 4.846 9.819 -3.253 1.00 0.00 O ATOM 605 CB ALA A 38 2.983 11.662 -4.801 1.00 0.00 C ATOM 0 H ALA A 38 2.888 13.654 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 38 2.507 10.925 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.108 10.672 -5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.967 12.013 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.692 12.353 -5.258 1.00 0.00 H new ATOM 611 N GLU A 39 5.533 11.838 -2.512 1.00 0.00 N ATOM 612 CA GLU A 39 6.903 11.412 -2.200 1.00 0.00 C ATOM 613 C GLU A 39 6.904 10.067 -1.472 1.00 0.00 C ATOM 614 O GLU A 39 7.681 9.168 -1.798 1.00 0.00 O ATOM 615 CB GLU A 39 7.603 12.454 -1.312 1.00 0.00 C ATOM 616 CG GLU A 39 7.703 13.849 -1.920 1.00 0.00 C ATOM 617 CD GLU A 39 8.370 14.844 -0.979 1.00 0.00 C ATOM 618 OE1 GLU A 39 7.662 15.430 -0.129 1.00 0.00 O ATOM 619 OE2 GLU A 39 9.600 15.038 -1.077 1.00 0.00 O ATOM 0 H GLU A 39 5.346 12.819 -2.305 1.00 0.00 H new ATOM 0 HA GLU A 39 7.439 11.313 -3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.067 12.523 -0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.608 12.100 -1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.268 13.798 -2.851 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.704 14.205 -2.173 1.00 0.00 H new ATOM 626 N ASN A 40 6.006 9.947 -0.499 1.00 0.00 N ATOM 627 CA ASN A 40 5.930 8.769 0.363 1.00 0.00 C ATOM 628 C ASN A 40 5.644 7.503 -0.448 1.00 0.00 C ATOM 629 O ASN A 40 6.431 6.554 -0.427 1.00 0.00 O ATOM 630 CB ASN A 40 4.852 8.972 1.439 1.00 0.00 C ATOM 631 CG ASN A 40 5.105 10.217 2.278 1.00 0.00 C ATOM 632 OD1 ASN A 40 5.817 10.171 3.281 1.00 0.00 O ATOM 633 ND2 ASN A 40 4.520 11.339 1.873 1.00 0.00 N ATOM 0 H ASN A 40 5.311 10.662 -0.285 1.00 0.00 H new ATOM 0 HA ASN A 40 6.898 8.641 0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.875 9.050 0.962 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.821 8.098 2.089 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.654 12.203 2.399 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.937 11.337 1.036 1.00 0.00 H new ATOM 640 N VAL A 41 4.530 7.498 -1.179 1.00 0.00 N ATOM 641 CA VAL A 41 4.123 6.323 -1.944 1.00 0.00 C ATOM 642 C VAL A 41 5.101 6.044 -3.083 1.00 0.00 C ATOM 643 O VAL A 41 5.370 4.890 -3.398 1.00 0.00 O ATOM 644 CB VAL A 41 2.681 6.455 -2.505 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.673 6.589 -1.364 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.566 7.634 -3.474 1.00 0.00 C ATOM 0 H VAL A 41 3.896 8.293 -1.257 1.00 0.00 H new ATOM 0 HA VAL A 41 4.134 5.482 -1.250 1.00 0.00 H new ATOM 0 HB VAL A 41 2.453 5.547 -3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.668 6.680 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.725 5.706 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.906 7.476 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.544 7.699 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.821 8.558 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.250 7.486 -4.310 1.00 0.00 H new ATOM 656 N THR A 42 5.645 7.101 -3.685 1.00 0.00 N ATOM 657 CA THR A 42 6.614 6.950 -4.767 1.00 0.00 C ATOM 658 C THR A 42 7.886 6.266 -4.253 1.00 0.00 C ATOM 659 O THR A 42 8.456 5.402 -4.923 1.00 0.00 O ATOM 660 CB THR A 42 6.965 8.319 -5.398 1.00 0.00 C ATOM 661 OG1 THR A 42 5.759 9.001 -5.782 1.00 0.00 O ATOM 662 CG2 THR A 42 7.861 8.151 -6.623 1.00 0.00 C ATOM 0 H THR A 42 5.431 8.068 -3.442 1.00 0.00 H new ATOM 0 HA THR A 42 6.161 6.326 -5.537 1.00 0.00 H new ATOM 0 HB THR A 42 7.504 8.905 -4.653 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.313 9.352 -4.983 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.090 9.130 -7.043 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.787 7.656 -6.331 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.346 7.547 -7.370 1.00 0.00 H new ATOM 670 N PHE A 43 8.312 6.648 -3.050 1.00 0.00 N ATOM 671 CA PHE A 43 9.443 6.002 -2.387 1.00 0.00 C ATOM 672 C PHE A 43 9.114 4.540 -2.106 1.00 0.00 C ATOM 673 O PHE A 43 9.938 3.646 -2.322 1.00 0.00 O ATOM 674 CB PHE A 43 9.785 6.735 -1.078 1.00 0.00 C ATOM 675 CG PHE A 43 10.756 5.991 -0.189 1.00 0.00 C ATOM 676 CD1 PHE A 43 12.078 5.817 -0.569 1.00 0.00 C ATOM 677 CD2 PHE A 43 10.340 5.463 1.028 1.00 0.00 C ATOM 678 CE1 PHE A 43 12.964 5.133 0.242 1.00 0.00 C ATOM 679 CE2 PHE A 43 11.224 4.777 1.841 1.00 0.00 C ATOM 680 CZ PHE A 43 12.538 4.613 1.447 1.00 0.00 C ATOM 0 H PHE A 43 7.889 7.405 -2.513 1.00 0.00 H new ATOM 0 HA PHE A 43 10.311 6.048 -3.045 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.205 7.711 -1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.864 6.913 -0.523 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.420 6.221 -1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.315 5.590 1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.991 5.005 -0.068 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.887 4.370 2.783 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.230 4.079 2.081 1.00 0.00 H new ATOM 690 N TRP A 44 7.898 4.308 -1.632 1.00 0.00 N ATOM 691 CA TRP A 44 7.443 2.968 -1.298 1.00 0.00 C ATOM 692 C TRP A 44 7.372 2.098 -2.562 1.00 0.00 C ATOM 693 O TRP A 44 7.651 0.897 -2.515 1.00 0.00 O ATOM 694 CB TRP A 44 6.080 3.040 -0.592 1.00 0.00 C ATOM 695 CG TRP A 44 5.678 1.757 0.074 1.00 0.00 C ATOM 696 CD1 TRP A 44 5.942 1.378 1.362 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.940 0.688 -0.515 1.00 0.00 C ATOM 698 NE1 TRP A 44 5.415 0.132 1.604 1.00 0.00 N ATOM 699 CE2 TRP A 44 4.794 -0.314 0.467 1.00 0.00 C ATOM 700 CE3 TRP A 44 4.391 0.485 -1.780 1.00 0.00 C ATOM 701 CZ2 TRP A 44 4.116 -1.504 0.213 1.00 0.00 C ATOM 702 CZ3 TRP A 44 3.719 -0.694 -2.030 1.00 0.00 C ATOM 703 CH2 TRP A 44 3.586 -1.676 -1.038 1.00 0.00 C ATOM 0 H TRP A 44 7.204 5.038 -1.469 1.00 0.00 H new ATOM 0 HA TRP A 44 8.156 2.506 -0.616 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.109 3.833 0.155 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.317 3.316 -1.320 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.485 1.971 2.083 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.476 -0.377 2.486 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.490 1.236 -2.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.012 -2.263 0.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 3.288 -0.863 -3.006 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.054 -2.588 -1.265 1.00 0.00 H new ATOM 714 N LYS A 45 7.020 2.717 -3.695 1.00 0.00 N ATOM 715 CA LYS A 45 7.011 2.020 -4.985 1.00 0.00 C ATOM 716 C LYS A 45 8.411 1.515 -5.312 1.00 0.00 C ATOM 717 O LYS A 45 8.598 0.368 -5.717 1.00 0.00 O ATOM 718 CB LYS A 45 6.535 2.939 -6.121 1.00 0.00 C ATOM 719 CG LYS A 45 5.081 3.387 -6.016 1.00 0.00 C ATOM 720 CD LYS A 45 4.702 4.286 -7.191 1.00 0.00 C ATOM 721 CE LYS A 45 3.321 4.906 -7.027 1.00 0.00 C ATOM 722 NZ LYS A 45 2.990 5.808 -8.164 1.00 0.00 N ATOM 0 H LYS A 45 6.739 3.696 -3.744 1.00 0.00 H new ATOM 0 HA LYS A 45 6.317 1.183 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.172 3.823 -6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.673 2.421 -7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.428 2.515 -5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.928 3.922 -5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.443 5.079 -7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.729 3.705 -8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.572 4.117 -6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.281 5.466 -6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.043 6.214 -8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.691 6.575 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.004 5.267 -9.052 1.00 0.00 H new ATOM 736 N ALA A 46 9.397 2.385 -5.115 1.00 0.00 N ATOM 737 CA ALA A 46 10.793 2.034 -5.349 1.00 0.00 C ATOM 738 C ALA A 46 11.179 0.807 -4.522 1.00 0.00 C ATOM 739 O ALA A 46 12.036 0.018 -4.918 1.00 0.00 O ATOM 740 CB ALA A 46 11.697 3.217 -5.018 1.00 0.00 C ATOM 0 H ALA A 46 9.254 3.342 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 46 10.922 1.788 -6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.736 2.942 -5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.432 4.065 -5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.569 3.491 -3.971 1.00 0.00 H new ATOM 746 N CYS A 47 10.516 0.646 -3.381 1.00 0.00 N ATOM 747 CA CYS A 47 10.763 -0.484 -2.498 1.00 0.00 C ATOM 748 C CYS A 47 10.134 -1.765 -3.055 1.00 0.00 C ATOM 749 O CYS A 47 10.784 -2.812 -3.102 1.00 0.00 O ATOM 750 CB CYS A 47 10.217 -0.185 -1.102 1.00 0.00 C ATOM 751 SG CYS A 47 10.904 1.312 -0.353 1.00 0.00 S ATOM 0 H CYS A 47 9.799 1.290 -3.046 1.00 0.00 H new ATOM 0 HA CYS A 47 11.840 -0.640 -2.432 1.00 0.00 H new ATOM 0 HB2 CYS A 47 9.133 -0.086 -1.160 1.00 0.00 H new ATOM 0 HB3 CYS A 47 10.426 -1.034 -0.451 1.00 0.00 H new ATOM 0 HG CYS A 47 10.579 2.345 -1.072 1.00 0.00 H new ATOM 757 N GLU A 48 8.873 -1.681 -3.493 1.00 0.00 N ATOM 758 CA GLU A 48 8.186 -2.853 -4.044 1.00 0.00 C ATOM 759 C GLU A 48 8.709 -3.174 -5.447 1.00 0.00 C ATOM 760 O GLU A 48 8.457 -4.251 -5.985 1.00 0.00 O ATOM 761 CB GLU A 48 6.649 -2.677 -4.016 1.00 0.00 C ATOM 762 CG GLU A 48 6.106 -1.434 -4.724 1.00 0.00 C ATOM 763 CD GLU A 48 5.975 -1.578 -6.237 1.00 0.00 C ATOM 764 OE1 GLU A 48 5.870 -2.719 -6.735 1.00 0.00 O ATOM 765 OE2 GLU A 48 5.954 -0.545 -6.933 1.00 0.00 O ATOM 0 H GLU A 48 8.315 -0.827 -3.477 1.00 0.00 H new ATOM 0 HA GLU A 48 8.409 -3.710 -3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.194 -3.558 -4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.325 -2.650 -2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.128 -1.192 -4.308 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.762 -0.591 -4.507 1.00 0.00 H new ATOM 772 N ARG A 49 9.449 -2.234 -6.025 1.00 0.00 N ATOM 773 CA ARG A 49 10.195 -2.485 -7.257 1.00 0.00 C ATOM 774 C ARG A 49 11.504 -3.201 -6.927 1.00 0.00 C ATOM 775 O ARG A 49 11.990 -4.031 -7.697 1.00 0.00 O ATOM 776 CB ARG A 49 10.488 -1.162 -7.994 1.00 0.00 C ATOM 777 CG ARG A 49 9.681 -0.965 -9.273 1.00 0.00 C ATOM 778 CD ARG A 49 8.183 -0.949 -9.011 1.00 0.00 C ATOM 779 NE ARG A 49 7.420 -0.817 -10.252 1.00 0.00 N ATOM 780 CZ ARG A 49 6.178 -1.273 -10.422 1.00 0.00 C ATOM 781 NH1 ARG A 49 5.513 -1.817 -9.408 1.00 0.00 N ATOM 782 NH2 ARG A 49 5.594 -1.152 -11.607 1.00 0.00 N ATOM 0 H ARG A 49 9.550 -1.287 -5.660 1.00 0.00 H new ATOM 0 HA ARG A 49 9.592 -3.116 -7.910 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.285 -0.331 -7.319 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.550 -1.123 -8.238 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.975 -0.028 -9.745 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.917 -1.764 -9.976 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.893 -1.867 -8.501 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.939 -0.123 -8.344 1.00 0.00 H new ATOM 0 HE ARG A 49 7.867 -0.346 -11.039 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.952 -1.889 -8.490 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.564 -2.163 -9.548 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.094 -0.713 -12.380 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.645 -1.498 -11.745 1.00 0.00 H new ATOM 796 N PHE A 50 12.055 -2.879 -5.763 1.00 0.00 N ATOM 797 CA PHE A 50 13.350 -3.401 -5.337 1.00 0.00 C ATOM 798 C PHE A 50 13.225 -4.855 -4.880 1.00 0.00 C ATOM 799 O PHE A 50 14.169 -5.634 -5.006 1.00 0.00 O ATOM 800 CB PHE A 50 13.907 -2.525 -4.204 1.00 0.00 C ATOM 801 CG PHE A 50 15.358 -2.780 -3.865 1.00 0.00 C ATOM 802 CD1 PHE A 50 15.714 -3.735 -2.922 1.00 0.00 C ATOM 803 CD2 PHE A 50 16.366 -2.053 -4.485 1.00 0.00 C ATOM 804 CE1 PHE A 50 17.039 -3.958 -2.607 1.00 0.00 C ATOM 805 CE2 PHE A 50 17.693 -2.275 -4.172 1.00 0.00 C ATOM 806 CZ PHE A 50 18.029 -3.228 -3.232 1.00 0.00 C ATOM 0 H PHE A 50 11.619 -2.250 -5.088 1.00 0.00 H new ATOM 0 HA PHE A 50 14.038 -3.375 -6.182 1.00 0.00 H new ATOM 0 HB2 PHE A 50 13.791 -1.478 -4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 50 13.305 -2.685 -3.309 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.944 -4.310 -2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.109 -1.305 -5.221 1.00 0.00 H new ATOM 0 HE1 PHE A 50 17.301 -4.704 -1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 50 18.467 -1.703 -4.662 1.00 0.00 H new ATOM 0 HZ PHE A 50 19.066 -3.402 -2.986 1.00 0.00 H new ATOM 816 N GLN A 51 12.049 -5.219 -4.363 1.00 0.00 N ATOM 817 CA GLN A 51 11.802 -6.583 -3.877 1.00 0.00 C ATOM 818 C GLN A 51 11.929 -7.605 -5.011 1.00 0.00 C ATOM 819 O GLN A 51 12.057 -8.808 -4.766 1.00 0.00 O ATOM 820 CB GLN A 51 10.407 -6.688 -3.244 1.00 0.00 C ATOM 821 CG GLN A 51 9.269 -6.557 -4.249 1.00 0.00 C ATOM 822 CD GLN A 51 7.889 -6.662 -3.618 1.00 0.00 C ATOM 823 OE1 GLN A 51 7.701 -7.334 -2.602 1.00 0.00 O ATOM 824 NE2 GLN A 51 6.912 -6.005 -4.226 1.00 0.00 N ATOM 0 H GLN A 51 11.252 -4.590 -4.269 1.00 0.00 H new ATOM 0 HA GLN A 51 12.556 -6.804 -3.121 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.320 -7.647 -2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.302 -5.912 -2.486 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.354 -5.598 -4.760 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.373 -7.333 -5.008 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.109 -5.460 -5.065 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.963 -6.044 -3.855 1.00 0.00 H new ATOM 833 N GLN A 52 11.873 -7.117 -6.250 1.00 0.00 N ATOM 834 CA GLN A 52 12.025 -7.968 -7.426 1.00 0.00 C ATOM 835 C GLN A 52 13.460 -8.485 -7.517 1.00 0.00 C ATOM 836 O GLN A 52 13.721 -9.555 -8.075 1.00 0.00 O ATOM 837 CB GLN A 52 11.662 -7.184 -8.695 1.00 0.00 C ATOM 838 CG GLN A 52 11.672 -8.028 -9.967 1.00 0.00 C ATOM 839 CD GLN A 52 11.398 -7.209 -11.217 1.00 0.00 C ATOM 840 OE1 GLN A 52 12.321 -6.707 -11.860 1.00 0.00 O ATOM 841 NE2 GLN A 52 10.129 -7.059 -11.560 1.00 0.00 N ATOM 0 H GLN A 52 11.723 -6.131 -6.464 1.00 0.00 H new ATOM 0 HA GLN A 52 11.350 -8.819 -7.335 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.672 -6.746 -8.569 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.363 -6.358 -8.813 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.640 -8.519 -10.065 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.923 -8.815 -9.882 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.395 -7.492 -11.000 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.885 -6.511 -12.385 1.00 0.00 H new ATOM 850 N ILE A 53 14.383 -7.712 -6.952 1.00 0.00 N ATOM 851 CA ILE A 53 15.796 -8.065 -6.937 1.00 0.00 C ATOM 852 C ILE A 53 16.057 -9.108 -5.846 1.00 0.00 C ATOM 853 O ILE A 53 15.663 -8.914 -4.693 1.00 0.00 O ATOM 854 CB ILE A 53 16.679 -6.816 -6.680 1.00 0.00 C ATOM 855 CG1 ILE A 53 16.356 -5.713 -7.703 1.00 0.00 C ATOM 856 CG2 ILE A 53 18.162 -7.182 -6.729 1.00 0.00 C ATOM 857 CD1 ILE A 53 17.098 -4.414 -7.459 1.00 0.00 C ATOM 0 H ILE A 53 14.172 -6.826 -6.493 1.00 0.00 H new ATOM 0 HA ILE A 53 16.055 -8.477 -7.912 1.00 0.00 H new ATOM 0 HB ILE A 53 16.458 -6.437 -5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.597 -6.076 -8.702 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.284 -5.517 -7.685 1.00 0.00 H new ATOM 0 HG21 ILE A 53 18.763 -6.291 -6.546 1.00 0.00 H new ATOM 0 HG22 ILE A 53 18.378 -7.929 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 53 18.404 -7.588 -7.711 1.00 0.00 H new ATOM 0 HD11 ILE A 53 16.818 -3.686 -8.221 1.00 0.00 H new ATOM 0 HD12 ILE A 53 16.839 -4.026 -6.474 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.172 -4.594 -7.507 1.00 0.00 H new ATOM 869 N PRO A 54 16.707 -10.236 -6.190 1.00 0.00 N ATOM 870 CA PRO A 54 16.991 -11.295 -5.224 1.00 0.00 C ATOM 871 C PRO A 54 18.150 -10.923 -4.304 1.00 0.00 C ATOM 872 O PRO A 54 18.998 -10.096 -4.655 1.00 0.00 O ATOM 873 CB PRO A 54 17.357 -12.491 -6.113 1.00 0.00 C ATOM 874 CG PRO A 54 17.944 -11.877 -7.339 1.00 0.00 C ATOM 875 CD PRO A 54 17.225 -10.563 -7.535 1.00 0.00 C ATOM 0 HA PRO A 54 16.151 -11.493 -4.558 1.00 0.00 H new ATOM 0 HB2 PRO A 54 18.070 -13.150 -5.618 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.480 -13.092 -6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 54 19.016 -11.721 -7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 54 17.810 -12.527 -8.203 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.900 -9.790 -7.902 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.418 -10.654 -8.262 1.00 0.00 H new ATOM 883 N ALA A 55 18.178 -11.525 -3.122 1.00 0.00 N ATOM 884 CA ALA A 55 19.275 -11.325 -2.189 1.00 0.00 C ATOM 885 C ALA A 55 20.591 -11.753 -2.829 1.00 0.00 C ATOM 886 O ALA A 55 20.610 -12.649 -3.676 1.00 0.00 O ATOM 887 CB ALA A 55 19.026 -12.103 -0.902 1.00 0.00 C ATOM 0 H ALA A 55 17.451 -12.157 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 55 19.337 -10.265 -1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 55 19.856 -11.943 -0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.101 -11.757 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.943 -13.166 -1.130 1.00 0.00 H new ATOM 893 N SER A 56 21.673 -11.082 -2.448 1.00 0.00 N ATOM 894 CA SER A 56 23.018 -11.399 -2.926 1.00 0.00 C ATOM 895 C SER A 56 23.241 -10.940 -4.376 1.00 0.00 C ATOM 896 O SER A 56 24.353 -11.065 -4.896 1.00 0.00 O ATOM 897 CB SER A 56 23.313 -12.904 -2.772 1.00 0.00 C ATOM 898 OG SER A 56 24.669 -13.208 -3.069 1.00 0.00 O ATOM 0 H SER A 56 21.643 -10.299 -1.796 1.00 0.00 H new ATOM 0 HA SER A 56 23.720 -10.844 -2.304 1.00 0.00 H new ATOM 0 HB2 SER A 56 23.085 -13.217 -1.753 1.00 0.00 H new ATOM 0 HB3 SER A 56 22.659 -13.472 -3.434 1.00 0.00 H new ATOM 0 HG SER A 56 25.038 -12.516 -3.656 1.00 0.00 H new ATOM 904 N ASP A 57 22.201 -10.410 -5.033 1.00 0.00 N ATOM 905 CA ASP A 57 22.366 -9.809 -6.362 1.00 0.00 C ATOM 906 C ASP A 57 23.006 -8.427 -6.203 1.00 0.00 C ATOM 907 O ASP A 57 22.382 -7.397 -6.464 1.00 0.00 O ATOM 908 CB ASP A 57 21.009 -9.712 -7.089 1.00 0.00 C ATOM 909 CG ASP A 57 21.117 -9.275 -8.551 1.00 0.00 C ATOM 910 OD1 ASP A 57 22.245 -9.196 -9.085 1.00 0.00 O ATOM 911 OD2 ASP A 57 20.060 -9.020 -9.181 1.00 0.00 O ATOM 0 H ASP A 57 21.248 -10.385 -4.671 1.00 0.00 H new ATOM 0 HA ASP A 57 23.016 -10.438 -6.971 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.515 -10.683 -7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.372 -9.006 -6.556 1.00 0.00 H new ATOM 916 N THR A 58 24.259 -8.435 -5.750 1.00 0.00 N ATOM 917 CA THR A 58 24.967 -7.233 -5.314 1.00 0.00 C ATOM 918 C THR A 58 24.878 -6.087 -6.326 1.00 0.00 C ATOM 919 O THR A 58 24.655 -4.937 -5.944 1.00 0.00 O ATOM 920 CB THR A 58 26.454 -7.554 -5.030 1.00 0.00 C ATOM 921 OG1 THR A 58 26.541 -8.662 -4.118 1.00 0.00 O ATOM 922 CG2 THR A 58 27.185 -6.348 -4.440 1.00 0.00 C ATOM 0 H THR A 58 24.817 -9.286 -5.675 1.00 0.00 H new ATOM 0 HA THR A 58 24.474 -6.901 -4.400 1.00 0.00 H new ATOM 0 HB THR A 58 26.931 -7.809 -5.976 1.00 0.00 H new ATOM 0 HG1 THR A 58 27.483 -8.866 -3.940 1.00 0.00 H new ATOM 0 HG21 THR A 58 28.227 -6.610 -4.253 1.00 0.00 H new ATOM 0 HG22 THR A 58 27.140 -5.516 -5.143 1.00 0.00 H new ATOM 0 HG23 THR A 58 26.710 -6.057 -3.503 1.00 0.00 H new ATOM 930 N GLN A 59 25.042 -6.401 -7.609 1.00 0.00 N ATOM 931 CA GLN A 59 25.067 -5.371 -8.645 1.00 0.00 C ATOM 932 C GLN A 59 23.755 -4.576 -8.671 1.00 0.00 C ATOM 933 O GLN A 59 23.769 -3.349 -8.579 1.00 0.00 O ATOM 934 CB GLN A 59 25.377 -5.982 -10.020 1.00 0.00 C ATOM 935 CG GLN A 59 24.472 -7.141 -10.414 1.00 0.00 C ATOM 936 CD GLN A 59 24.758 -7.659 -11.812 1.00 0.00 C ATOM 937 OE1 GLN A 59 25.202 -6.910 -12.684 1.00 0.00 O ATOM 938 NE2 GLN A 59 24.499 -8.935 -12.039 1.00 0.00 N ATOM 0 H GLN A 59 25.159 -7.353 -7.955 1.00 0.00 H new ATOM 0 HA GLN A 59 25.868 -4.673 -8.403 1.00 0.00 H new ATOM 0 HB2 GLN A 59 25.297 -5.202 -10.777 1.00 0.00 H new ATOM 0 HB3 GLN A 59 26.411 -6.327 -10.026 1.00 0.00 H new ATOM 0 HG2 GLN A 59 24.596 -7.953 -9.698 1.00 0.00 H new ATOM 0 HG3 GLN A 59 23.432 -6.820 -10.356 1.00 0.00 H new ATOM 0 HE21 GLN A 59 24.132 -9.522 -11.290 1.00 0.00 H new ATOM 0 HE22 GLN A 59 24.666 -9.333 -12.963 1.00 0.00 H new ATOM 947 N GLN A 60 22.623 -5.276 -8.763 1.00 0.00 N ATOM 948 CA GLN A 60 21.317 -4.617 -8.774 1.00 0.00 C ATOM 949 C GLN A 60 21.022 -3.989 -7.413 1.00 0.00 C ATOM 950 O GLN A 60 20.588 -2.840 -7.330 1.00 0.00 O ATOM 951 CB GLN A 60 20.200 -5.605 -9.152 1.00 0.00 C ATOM 952 CG GLN A 60 19.982 -5.780 -10.654 1.00 0.00 C ATOM 953 CD GLN A 60 21.220 -6.247 -11.392 1.00 0.00 C ATOM 954 OE1 GLN A 60 21.420 -7.554 -11.438 1.00 0.00 O flip ATOM 955 NE2 GLN A 60 22.002 -5.437 -11.897 1.00 0.00 N flip ATOM 0 H GLN A 60 22.584 -6.293 -8.831 1.00 0.00 H new ATOM 0 HA GLN A 60 21.348 -3.830 -9.528 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.431 -6.577 -8.717 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.267 -5.267 -8.700 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.179 -6.499 -10.816 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.651 -4.832 -11.078 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.809 -4.437 -11.838 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.841 -5.767 -12.373 1.00 0.00 H new ATOM 964 N LEU A 61 21.282 -4.750 -6.349 1.00 0.00 N ATOM 965 CA LEU A 61 21.023 -4.290 -4.985 1.00 0.00 C ATOM 966 C LEU A 61 21.697 -2.941 -4.720 1.00 0.00 C ATOM 967 O LEU A 61 21.081 -2.027 -4.172 1.00 0.00 O ATOM 968 CB LEU A 61 21.519 -5.329 -3.961 1.00 0.00 C ATOM 969 CG LEU A 61 20.753 -6.662 -3.923 1.00 0.00 C ATOM 970 CD1 LEU A 61 21.429 -7.640 -2.965 1.00 0.00 C ATOM 971 CD2 LEU A 61 19.295 -6.445 -3.524 1.00 0.00 C ATOM 0 H LEU A 61 21.673 -5.690 -6.407 1.00 0.00 H new ATOM 0 HA LEU A 61 19.946 -4.166 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 61 22.568 -5.542 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.476 -4.880 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 61 20.769 -7.089 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 61 20.874 -8.578 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 61 22.450 -7.828 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 61 21.447 -7.213 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.776 -7.404 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.252 -5.990 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.814 -5.787 -4.247 1.00 0.00 H new ATOM 983 N ALA A 62 22.960 -2.824 -5.122 1.00 0.00 N ATOM 984 CA ALA A 62 23.751 -1.627 -4.852 1.00 0.00 C ATOM 985 C ALA A 62 23.306 -0.450 -5.718 1.00 0.00 C ATOM 986 O ALA A 62 23.109 0.660 -5.217 1.00 0.00 O ATOM 987 CB ALA A 62 25.232 -1.915 -5.067 1.00 0.00 C ATOM 0 H ALA A 62 23.460 -3.548 -5.639 1.00 0.00 H new ATOM 0 HA ALA A 62 23.589 -1.349 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 62 25.811 -1.015 -4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.549 -2.711 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 62 25.396 -2.225 -6.099 1.00 0.00 H new ATOM 993 N GLN A 63 23.143 -0.699 -7.015 1.00 0.00 N ATOM 994 CA GLN A 63 22.811 0.363 -7.964 1.00 0.00 C ATOM 995 C GLN A 63 21.414 0.915 -7.700 1.00 0.00 C ATOM 996 O GLN A 63 21.238 2.124 -7.547 1.00 0.00 O ATOM 997 CB GLN A 63 22.926 -0.145 -9.411 1.00 0.00 C ATOM 998 CG GLN A 63 24.327 -0.628 -9.795 1.00 0.00 C ATOM 999 CD GLN A 63 25.385 0.473 -9.782 1.00 0.00 C ATOM 1000 OE1 GLN A 63 25.299 1.442 -9.027 1.00 0.00 O ATOM 1001 NE2 GLN A 63 26.401 0.325 -10.619 1.00 0.00 N ATOM 0 H GLN A 63 23.235 -1.625 -7.433 1.00 0.00 H new ATOM 0 HA GLN A 63 23.527 1.173 -7.825 1.00 0.00 H new ATOM 0 HB2 GLN A 63 22.220 -0.963 -9.555 1.00 0.00 H new ATOM 0 HB3 GLN A 63 22.630 0.655 -10.090 1.00 0.00 H new ATOM 0 HG2 GLN A 63 24.630 -1.418 -9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 63 24.288 -1.070 -10.791 1.00 0.00 H new ATOM 0 HE21 GLN A 63 26.443 -0.490 -11.232 1.00 0.00 H new ATOM 0 HE22 GLN A 63 27.142 1.026 -10.651 1.00 0.00 H new ATOM 1010 N GLU A 64 20.427 0.030 -7.623 1.00 0.00 N ATOM 1011 CA GLU A 64 19.045 0.444 -7.405 1.00 0.00 C ATOM 1012 C GLU A 64 18.878 1.147 -6.057 1.00 0.00 C ATOM 1013 O GLU A 64 18.180 2.158 -5.970 1.00 0.00 O ATOM 1014 CB GLU A 64 18.090 -0.752 -7.530 1.00 0.00 C ATOM 1015 CG GLU A 64 17.632 -1.033 -8.963 1.00 0.00 C ATOM 1016 CD GLU A 64 18.782 -1.211 -9.947 1.00 0.00 C ATOM 1017 OE1 GLU A 64 19.225 -0.205 -10.544 1.00 0.00 O ATOM 1018 OE2 GLU A 64 19.227 -2.360 -10.153 1.00 0.00 O ATOM 0 H GLU A 64 20.557 -0.978 -7.708 1.00 0.00 H new ATOM 0 HA GLU A 64 18.787 1.164 -8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 64 18.583 -1.641 -7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.214 -0.571 -6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.017 -1.933 -8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.999 -0.212 -9.301 1.00 0.00 H new ATOM 1025 N ALA A 65 19.529 0.633 -5.011 1.00 0.00 N ATOM 1026 CA ALA A 65 19.488 1.284 -3.700 1.00 0.00 C ATOM 1027 C ALA A 65 20.090 2.683 -3.791 1.00 0.00 C ATOM 1028 O ALA A 65 19.640 3.617 -3.124 1.00 0.00 O ATOM 1029 CB ALA A 65 20.225 0.456 -2.649 1.00 0.00 C ATOM 0 H ALA A 65 20.085 -0.222 -5.045 1.00 0.00 H new ATOM 0 HA ALA A 65 18.445 1.364 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 65 20.178 0.965 -1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.757 -0.525 -2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.267 0.336 -2.945 1.00 0.00 H new ATOM 1035 N ARG A 66 21.102 2.818 -4.642 1.00 0.00 N ATOM 1036 CA ARG A 66 21.775 4.094 -4.856 1.00 0.00 C ATOM 1037 C ARG A 66 20.860 5.054 -5.610 1.00 0.00 C ATOM 1038 O ARG A 66 20.807 6.247 -5.308 1.00 0.00 O ATOM 1039 CB ARG A 66 23.078 3.864 -5.630 1.00 0.00 C ATOM 1040 CG ARG A 66 23.954 5.103 -5.773 1.00 0.00 C ATOM 1041 CD ARG A 66 25.339 4.738 -6.292 1.00 0.00 C ATOM 1042 NE ARG A 66 25.956 3.678 -5.483 1.00 0.00 N ATOM 1043 CZ ARG A 66 27.230 3.670 -5.088 1.00 0.00 C ATOM 1044 NH1 ARG A 66 28.048 4.659 -5.427 1.00 0.00 N ATOM 1045 NH2 ARG A 66 27.688 2.669 -4.347 1.00 0.00 N ATOM 0 H ARG A 66 21.477 2.051 -5.200 1.00 0.00 H new ATOM 0 HA ARG A 66 22.014 4.542 -3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 66 23.651 3.085 -5.128 1.00 0.00 H new ATOM 0 HB3 ARG A 66 22.834 3.490 -6.624 1.00 0.00 H new ATOM 0 HG2 ARG A 66 23.481 5.810 -6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 66 24.044 5.602 -4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 66 25.265 4.409 -7.329 1.00 0.00 H new ATOM 0 HD3 ARG A 66 25.977 5.622 -6.283 1.00 0.00 H new ATOM 0 HE ARG A 66 25.368 2.892 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 66 27.704 5.434 -5.994 1.00 0.00 H new ATOM 0 HH12 ARG A 66 29.021 4.644 -5.120 1.00 0.00 H new ATOM 0 HH21 ARG A 66 27.066 1.906 -4.080 1.00 0.00 H new ATOM 0 HH22 ARG A 66 28.662 2.662 -4.045 1.00 0.00 H new ATOM 1059 N ASN A 67 20.134 4.513 -6.584 1.00 0.00 N ATOM 1060 CA ASN A 67 19.165 5.287 -7.356 1.00 0.00 C ATOM 1061 C ASN A 67 18.069 5.813 -6.434 1.00 0.00 C ATOM 1062 O ASN A 67 17.748 7.003 -6.443 1.00 0.00 O ATOM 1063 CB ASN A 67 18.558 4.423 -8.478 1.00 0.00 C ATOM 1064 CG ASN A 67 19.598 3.968 -9.495 1.00 0.00 C ATOM 1065 OD1 ASN A 67 20.575 4.669 -9.760 1.00 0.00 O ATOM 1066 ND2 ASN A 67 19.400 2.788 -10.066 1.00 0.00 N ATOM 0 H ASN A 67 20.199 3.533 -6.860 1.00 0.00 H new ATOM 0 HA ASN A 67 19.675 6.134 -7.815 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.078 3.549 -8.039 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.780 4.991 -8.988 1.00 0.00 H new ATOM 0 HD21 ASN A 67 20.069 2.434 -10.750 1.00 0.00 H new ATOM 0 HD22 ASN A 67 18.579 2.235 -9.822 1.00 0.00 H new ATOM 1073 N ILE A 68 17.520 4.917 -5.612 1.00 0.00 N ATOM 1074 CA ILE A 68 16.502 5.285 -4.630 1.00 0.00 C ATOM 1075 C ILE A 68 17.061 6.325 -3.661 1.00 0.00 C ATOM 1076 O ILE A 68 16.379 7.283 -3.295 1.00 0.00 O ATOM 1077 CB ILE A 68 16.008 4.052 -3.828 1.00 0.00 C ATOM 1078 CG1 ILE A 68 15.439 2.981 -4.774 1.00 0.00 C ATOM 1079 CG2 ILE A 68 14.960 4.465 -2.791 1.00 0.00 C ATOM 1080 CD1 ILE A 68 15.040 1.695 -4.076 1.00 0.00 C ATOM 0 H ILE A 68 17.766 3.927 -5.608 1.00 0.00 H new ATOM 0 HA ILE A 68 15.655 5.701 -5.176 1.00 0.00 H new ATOM 0 HB ILE A 68 16.861 3.625 -3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.569 3.389 -5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.182 2.753 -5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.627 3.585 -2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.397 5.183 -2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.108 4.921 -3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.648 0.990 -4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.912 1.262 -3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.273 1.908 -3.331 1.00 0.00 H new ATOM 1092 N TYR A 69 18.317 6.129 -3.261 1.00 0.00 N ATOM 1093 CA TYR A 69 18.998 7.054 -2.363 1.00 0.00 C ATOM 1094 C TYR A 69 19.018 8.462 -2.961 1.00 0.00 C ATOM 1095 O TYR A 69 18.533 9.413 -2.353 1.00 0.00 O ATOM 1096 CB TYR A 69 20.434 6.571 -2.079 1.00 0.00 C ATOM 1097 CG TYR A 69 21.245 7.509 -1.198 1.00 0.00 C ATOM 1098 CD1 TYR A 69 21.959 8.570 -1.748 1.00 0.00 C ATOM 1099 CD2 TYR A 69 21.295 7.336 0.182 1.00 0.00 C ATOM 1100 CE1 TYR A 69 22.691 9.426 -0.952 1.00 0.00 C ATOM 1101 CE2 TYR A 69 22.024 8.193 0.985 1.00 0.00 C ATOM 1102 CZ TYR A 69 22.719 9.235 0.413 1.00 0.00 C ATOM 1103 OH TYR A 69 23.434 10.098 1.210 1.00 0.00 O ATOM 0 H TYR A 69 18.885 5.332 -3.548 1.00 0.00 H new ATOM 0 HA TYR A 69 18.451 7.085 -1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 69 20.388 5.592 -1.602 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.955 6.440 -3.027 1.00 0.00 H new ATOM 0 HD1 TYR A 69 21.939 8.726 -2.817 1.00 0.00 H new ATOM 0 HD2 TYR A 69 20.754 6.517 0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 69 23.240 10.243 -1.396 1.00 0.00 H new ATOM 0 HE2 TYR A 69 22.048 8.046 2.055 1.00 0.00 H new ATOM 0 HH TYR A 69 23.784 9.613 1.986 1.00 0.00 H new ATOM 1113 N GLN A 70 19.552 8.579 -4.172 1.00 0.00 N ATOM 1114 CA GLN A 70 19.736 9.881 -4.815 1.00 0.00 C ATOM 1115 C GLN A 70 18.408 10.516 -5.234 1.00 0.00 C ATOM 1116 O GLN A 70 18.373 11.676 -5.651 1.00 0.00 O ATOM 1117 CB GLN A 70 20.674 9.742 -6.020 1.00 0.00 C ATOM 1118 CG GLN A 70 22.124 9.466 -5.630 1.00 0.00 C ATOM 1119 CD GLN A 70 23.031 9.198 -6.820 1.00 0.00 C ATOM 1120 OE1 GLN A 70 22.724 9.798 -7.961 1.00 0.00 O flip ATOM 1121 NE2 GLN A 70 24.012 8.464 -6.707 1.00 0.00 N flip ATOM 0 H GLN A 70 19.867 7.787 -4.732 1.00 0.00 H new ATOM 0 HA GLN A 70 20.187 10.549 -4.082 1.00 0.00 H new ATOM 0 HB2 GLN A 70 20.317 8.934 -6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 70 20.632 10.657 -6.611 1.00 0.00 H new ATOM 0 HG2 GLN A 70 22.511 10.319 -5.073 1.00 0.00 H new ATOM 0 HG3 GLN A 70 22.154 8.607 -4.959 1.00 0.00 H new ATOM 0 HE21 GLN A 70 24.216 8.020 -5.812 1.00 0.00 H new ATOM 0 HE22 GLN A 70 24.621 8.300 -7.508 1.00 0.00 H new ATOM 1130 N GLU A 71 17.319 9.764 -5.119 1.00 0.00 N ATOM 1131 CA GLU A 71 15.996 10.278 -5.464 1.00 0.00 C ATOM 1132 C GLU A 71 15.188 10.651 -4.224 1.00 0.00 C ATOM 1133 O GLU A 71 14.537 11.700 -4.194 1.00 0.00 O ATOM 1134 CB GLU A 71 15.217 9.247 -6.295 1.00 0.00 C ATOM 1135 CG GLU A 71 15.690 9.122 -7.737 1.00 0.00 C ATOM 1136 CD GLU A 71 15.454 10.393 -8.540 1.00 0.00 C ATOM 1137 OE1 GLU A 71 14.294 10.857 -8.598 1.00 0.00 O ATOM 1138 OE2 GLU A 71 16.421 10.919 -9.135 1.00 0.00 O ATOM 0 H GLU A 71 17.325 8.798 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 71 16.148 11.182 -6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 71 15.297 8.273 -5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.161 9.518 -6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 71 16.753 8.881 -7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 71 15.171 8.292 -8.216 1.00 0.00 H new ATOM 1145 N PHE A 72 15.236 9.803 -3.199 1.00 0.00 N ATOM 1146 CA PHE A 72 14.334 9.942 -2.056 1.00 0.00 C ATOM 1147 C PHE A 72 15.071 10.083 -0.728 1.00 0.00 C ATOM 1148 O PHE A 72 14.458 10.408 0.283 1.00 0.00 O ATOM 1149 CB PHE A 72 13.393 8.732 -1.981 1.00 0.00 C ATOM 1150 CG PHE A 72 12.632 8.472 -3.257 1.00 0.00 C ATOM 1151 CD1 PHE A 72 11.571 9.284 -3.626 1.00 0.00 C ATOM 1152 CD2 PHE A 72 12.981 7.414 -4.086 1.00 0.00 C ATOM 1153 CE1 PHE A 72 10.874 9.047 -4.795 1.00 0.00 C ATOM 1154 CE2 PHE A 72 12.287 7.174 -5.255 1.00 0.00 C ATOM 1155 CZ PHE A 72 11.234 7.991 -5.611 1.00 0.00 C ATOM 0 H PHE A 72 15.884 9.018 -3.135 1.00 0.00 H new ATOM 0 HA PHE A 72 13.769 10.860 -2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 72 13.975 7.846 -1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 72 12.682 8.887 -1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.286 10.111 -2.993 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.805 6.771 -3.813 1.00 0.00 H new ATOM 0 HE1 PHE A 72 10.048 9.686 -5.071 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.568 6.347 -5.890 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.691 7.806 -6.526 1.00 0.00 H new ATOM 1165 N LEU A 73 16.375 9.843 -0.708 1.00 0.00 N ATOM 1166 CA LEU A 73 17.107 9.801 0.561 1.00 0.00 C ATOM 1167 C LEU A 73 18.447 10.533 0.488 1.00 0.00 C ATOM 1168 O LEU A 73 19.287 10.386 1.378 1.00 0.00 O ATOM 1169 CB LEU A 73 17.306 8.339 0.988 1.00 0.00 C ATOM 1170 CG LEU A 73 16.003 7.583 1.317 1.00 0.00 C ATOM 1171 CD1 LEU A 73 16.248 6.079 1.395 1.00 0.00 C ATOM 1172 CD2 LEU A 73 15.396 8.097 2.624 1.00 0.00 C ATOM 0 H LEU A 73 16.944 9.676 -1.538 1.00 0.00 H new ATOM 0 HA LEU A 73 16.511 10.324 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.827 7.809 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.955 8.315 1.863 1.00 0.00 H new ATOM 0 HG LEU A 73 15.294 7.769 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.313 5.570 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 73 16.627 5.722 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 73 16.980 5.870 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.477 7.551 2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.105 7.948 3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.172 9.159 2.528 1.00 0.00 H new ATOM 1184 N SER A 74 18.643 11.330 -0.559 1.00 0.00 N ATOM 1185 CA SER A 74 19.839 12.160 -0.664 1.00 0.00 C ATOM 1186 C SER A 74 19.510 13.597 -0.263 1.00 0.00 C ATOM 1187 O SER A 74 18.381 14.058 -0.449 1.00 0.00 O ATOM 1188 CB SER A 74 20.406 12.117 -2.088 1.00 0.00 C ATOM 1189 OG SER A 74 21.640 12.811 -2.171 1.00 0.00 O ATOM 0 H SER A 74 17.994 11.418 -1.341 1.00 0.00 H new ATOM 0 HA SER A 74 20.597 11.768 0.014 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.548 11.081 -2.394 1.00 0.00 H new ATOM 0 HB3 SER A 74 19.690 12.559 -2.781 1.00 0.00 H new ATOM 0 HG SER A 74 21.626 13.412 -2.945 1.00 0.00 H new ATOM 1195 N SER A 75 20.500 14.301 0.276 1.00 0.00 N ATOM 1196 CA SER A 75 20.317 15.671 0.746 1.00 0.00 C ATOM 1197 C SER A 75 19.950 16.608 -0.410 1.00 0.00 C ATOM 1198 O SER A 75 19.212 17.579 -0.229 1.00 0.00 O ATOM 1199 CB SER A 75 21.599 16.147 1.439 1.00 0.00 C ATOM 1200 OG SER A 75 22.740 15.870 0.640 1.00 0.00 O ATOM 0 H SER A 75 21.447 13.941 0.399 1.00 0.00 H new ATOM 0 HA SER A 75 19.492 15.690 1.459 1.00 0.00 H new ATOM 0 HB2 SER A 75 21.537 17.218 1.632 1.00 0.00 H new ATOM 0 HB3 SER A 75 21.699 15.654 2.406 1.00 0.00 H new ATOM 0 HG SER A 75 23.546 16.184 1.101 1.00 0.00 H new ATOM 1206 N GLN A 76 20.462 16.295 -1.599 1.00 0.00 N ATOM 1207 CA GLN A 76 20.222 17.108 -2.793 1.00 0.00 C ATOM 1208 C GLN A 76 19.215 16.432 -3.728 1.00 0.00 C ATOM 1209 O GLN A 76 19.102 16.798 -4.903 1.00 0.00 O ATOM 1210 CB GLN A 76 21.557 17.386 -3.520 1.00 0.00 C ATOM 1211 CG GLN A 76 22.443 16.156 -3.753 1.00 0.00 C ATOM 1212 CD GLN A 76 21.868 15.165 -4.756 1.00 0.00 C ATOM 1213 OE1 GLN A 76 21.143 14.242 -4.391 1.00 0.00 O ATOM 1214 NE2 GLN A 76 22.190 15.348 -6.025 1.00 0.00 N ATOM 0 H GLN A 76 21.050 15.478 -1.763 1.00 0.00 H new ATOM 0 HA GLN A 76 19.790 18.060 -2.483 1.00 0.00 H new ATOM 0 HB2 GLN A 76 21.338 17.844 -4.485 1.00 0.00 H new ATOM 0 HB3 GLN A 76 22.122 18.116 -2.941 1.00 0.00 H new ATOM 0 HG2 GLN A 76 23.421 16.486 -4.102 1.00 0.00 H new ATOM 0 HG3 GLN A 76 22.599 15.647 -2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 76 22.794 16.125 -6.291 1.00 0.00 H new ATOM 0 HE22 GLN A 76 21.834 14.712 -6.738 1.00 0.00 H new ATOM 1223 N ALA A 77 18.471 15.466 -3.190 1.00 0.00 N ATOM 1224 CA ALA A 77 17.533 14.666 -3.979 1.00 0.00 C ATOM 1225 C ALA A 77 16.360 15.502 -4.495 1.00 0.00 C ATOM 1226 O ALA A 77 16.112 16.612 -4.015 1.00 0.00 O ATOM 1227 CB ALA A 77 17.020 13.497 -3.147 1.00 0.00 C ATOM 0 H ALA A 77 18.500 15.217 -2.201 1.00 0.00 H new ATOM 0 HA ALA A 77 18.071 14.287 -4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.322 12.906 -3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 77 17.859 12.871 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 77 16.511 13.877 -2.261 1.00 0.00 H new ATOM 1233 N LEU A 78 15.645 14.954 -5.475 1.00 0.00 N ATOM 1234 CA LEU A 78 14.489 15.627 -6.066 1.00 0.00 C ATOM 1235 C LEU A 78 13.290 15.557 -5.124 1.00 0.00 C ATOM 1236 O LEU A 78 12.460 16.468 -5.087 1.00 0.00 O ATOM 1237 CB LEU A 78 14.122 14.999 -7.425 1.00 0.00 C ATOM 1238 CG LEU A 78 15.148 15.194 -8.560 1.00 0.00 C ATOM 1239 CD1 LEU A 78 16.440 14.429 -8.285 1.00 0.00 C ATOM 1240 CD2 LEU A 78 14.550 14.772 -9.900 1.00 0.00 C ATOM 0 H LEU A 78 15.847 14.040 -5.879 1.00 0.00 H new ATOM 0 HA LEU A 78 14.756 16.672 -6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 78 13.970 13.929 -7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.168 15.415 -7.749 1.00 0.00 H new ATOM 0 HG LEU A 78 15.395 16.255 -8.605 1.00 0.00 H new ATOM 0 HD11 LEU A 78 17.140 14.590 -9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 78 16.883 14.786 -7.355 1.00 0.00 H new ATOM 0 HD13 LEU A 78 16.221 13.365 -8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 78 15.288 14.916 -10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 78 14.266 13.721 -9.857 1.00 0.00 H new ATOM 0 HD23 LEU A 78 13.669 15.377 -10.112 1.00 0.00 H new ATOM 1252 N SER A 79 13.208 14.466 -4.368 1.00 0.00 N ATOM 1253 CA SER A 79 12.123 14.256 -3.417 1.00 0.00 C ATOM 1254 C SER A 79 12.631 13.459 -2.215 1.00 0.00 C ATOM 1255 O SER A 79 12.383 12.258 -2.106 1.00 0.00 O ATOM 1256 CB SER A 79 10.962 13.527 -4.112 1.00 0.00 C ATOM 1257 OG SER A 79 11.431 12.388 -4.821 1.00 0.00 O ATOM 0 H SER A 79 13.888 13.707 -4.397 1.00 0.00 H new ATOM 0 HA SER A 79 11.760 15.219 -3.057 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.224 13.221 -3.371 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.460 14.207 -4.800 1.00 0.00 H new ATOM 0 HG SER A 79 11.340 11.592 -4.257 1.00 0.00 H new ATOM 1263 N PRO A 80 13.355 14.125 -1.293 1.00 0.00 N ATOM 1264 CA PRO A 80 14.055 13.457 -0.183 1.00 0.00 C ATOM 1265 C PRO A 80 13.131 13.025 0.964 1.00 0.00 C ATOM 1266 O PRO A 80 13.585 12.898 2.106 1.00 0.00 O ATOM 1267 CB PRO A 80 15.040 14.532 0.287 1.00 0.00 C ATOM 1268 CG PRO A 80 14.349 15.821 -0.001 1.00 0.00 C ATOM 1269 CD PRO A 80 13.546 15.593 -1.258 1.00 0.00 C ATOM 0 HA PRO A 80 14.519 12.524 -0.504 1.00 0.00 H new ATOM 0 HB2 PRO A 80 15.263 14.429 1.349 1.00 0.00 H new ATOM 0 HB3 PRO A 80 15.988 14.462 -0.246 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.702 16.110 0.827 1.00 0.00 H new ATOM 0 HG3 PRO A 80 15.070 16.627 -0.140 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.592 16.120 -1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 80 14.076 15.949 -2.142 1.00 0.00 H new ATOM 1277 N VAL A 81 11.855 12.762 0.640 1.00 0.00 N ATOM 1278 CA VAL A 81 10.831 12.340 1.616 1.00 0.00 C ATOM 1279 C VAL A 81 11.017 13.019 2.989 1.00 0.00 C ATOM 1280 O VAL A 81 11.404 14.189 3.050 1.00 0.00 O ATOM 1281 CB VAL A 81 10.780 10.789 1.751 1.00 0.00 C ATOM 1282 CG1 VAL A 81 10.368 10.147 0.426 1.00 0.00 C ATOM 1283 CG2 VAL A 81 12.114 10.220 2.230 1.00 0.00 C ATOM 0 H VAL A 81 11.500 12.836 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 81 9.868 12.672 1.228 1.00 0.00 H new ATOM 0 HB VAL A 81 10.030 10.550 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.338 9.063 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.381 10.509 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.091 10.410 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.039 9.136 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.896 10.477 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.360 10.641 3.205 1.00 0.00 H new ATOM 1293 N ASN A 82 10.710 12.313 4.087 1.00 0.00 N ATOM 1294 CA ASN A 82 10.846 12.889 5.430 1.00 0.00 C ATOM 1295 C ASN A 82 11.413 11.870 6.426 1.00 0.00 C ATOM 1296 O ASN A 82 12.626 11.807 6.625 1.00 0.00 O ATOM 1297 CB ASN A 82 9.496 13.430 5.940 1.00 0.00 C ATOM 1298 CG ASN A 82 8.979 14.609 5.129 1.00 0.00 C ATOM 1299 OD1 ASN A 82 9.302 15.763 5.413 1.00 0.00 O ATOM 1300 ND2 ASN A 82 8.161 14.331 4.123 1.00 0.00 N ATOM 0 H ASN A 82 10.369 11.352 4.071 1.00 0.00 H new ATOM 0 HA ASN A 82 11.549 13.718 5.353 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.758 12.628 5.915 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.603 13.733 6.982 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.777 15.086 3.555 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.916 13.362 3.918 1.00 0.00 H new ATOM 1307 N ILE A 83 10.518 11.052 7.005 1.00 0.00 N ATOM 1308 CA ILE A 83 10.830 10.119 8.108 1.00 0.00 C ATOM 1309 C ILE A 83 11.844 10.687 9.125 1.00 0.00 C ATOM 1310 O ILE A 83 11.441 11.178 10.182 1.00 0.00 O ATOM 1311 CB ILE A 83 11.244 8.683 7.639 1.00 0.00 C ATOM 1312 CG1 ILE A 83 12.436 8.686 6.657 1.00 0.00 C ATOM 1313 CG2 ILE A 83 10.042 7.973 7.016 1.00 0.00 C ATOM 1314 CD1 ILE A 83 12.053 8.835 5.201 1.00 0.00 C ATOM 0 H ILE A 83 9.540 11.018 6.717 1.00 0.00 H new ATOM 0 HA ILE A 83 9.878 10.009 8.627 1.00 0.00 H new ATOM 0 HB ILE A 83 11.576 8.142 8.525 1.00 0.00 H new ATOM 0 HG12 ILE A 83 13.110 9.499 6.927 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.993 7.757 6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.337 6.975 6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.244 7.894 7.754 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.687 8.543 6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 83 12.953 8.827 4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 83 11.406 8.008 4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 83 11.525 9.778 5.058 1.00 0.00 H new ATOM 1326 N ASP A 84 13.140 10.648 8.810 1.00 0.00 N ATOM 1327 CA ASP A 84 14.176 11.094 9.745 1.00 0.00 C ATOM 1328 C ASP A 84 15.483 11.399 9.007 1.00 0.00 C ATOM 1329 O ASP A 84 16.004 12.512 9.090 1.00 0.00 O ATOM 1330 CB ASP A 84 14.410 10.039 10.851 1.00 0.00 C ATOM 1331 CG ASP A 84 14.980 8.724 10.324 1.00 0.00 C ATOM 1332 OD1 ASP A 84 14.194 7.857 9.881 1.00 0.00 O ATOM 1333 OD2 ASP A 84 16.219 8.565 10.338 1.00 0.00 O ATOM 0 H ASP A 84 13.498 10.313 7.916 1.00 0.00 H new ATOM 0 HA ASP A 84 13.829 12.013 10.217 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.092 10.449 11.596 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.466 9.840 11.358 1.00 0.00 H new ATOM 1338 N ARG A 85 15.996 10.397 8.283 1.00 0.00 N ATOM 1339 CA ARG A 85 17.265 10.494 7.548 1.00 0.00 C ATOM 1340 C ARG A 85 18.456 10.725 8.493 1.00 0.00 C ATOM 1341 O ARG A 85 19.568 11.009 8.041 1.00 0.00 O ATOM 1342 CB ARG A 85 17.210 11.597 6.473 1.00 0.00 C ATOM 1343 CG ARG A 85 16.044 11.453 5.496 1.00 0.00 C ATOM 1344 CD ARG A 85 16.208 12.345 4.267 1.00 0.00 C ATOM 1345 NE ARG A 85 16.572 13.723 4.617 1.00 0.00 N ATOM 1346 CZ ARG A 85 15.829 14.797 4.342 1.00 0.00 C ATOM 1347 NH1 ARG A 85 14.643 14.667 3.756 1.00 0.00 N ATOM 1348 NH2 ARG A 85 16.282 16.005 4.649 1.00 0.00 N ATOM 0 H ARG A 85 15.540 9.489 8.189 1.00 0.00 H new ATOM 0 HA ARG A 85 17.414 9.537 7.049 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.141 12.567 6.965 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.144 11.590 5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.963 10.413 5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.113 11.705 6.004 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.975 11.924 3.616 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.277 12.351 3.700 1.00 0.00 H new ATOM 0 HE ARG A 85 17.455 13.870 5.105 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.293 13.740 3.512 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.083 15.494 3.550 1.00 0.00 H new ATOM 0 HH21 ARG A 85 17.194 16.110 5.093 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.718 16.829 4.441 1.00 0.00 H new ATOM 1362 N GLN A 86 18.227 10.566 9.799 1.00 0.00 N ATOM 1363 CA GLN A 86 19.279 10.753 10.806 1.00 0.00 C ATOM 1364 C GLN A 86 19.572 9.434 11.514 1.00 0.00 C ATOM 1365 O GLN A 86 20.730 9.078 11.744 1.00 0.00 O ATOM 1366 CB GLN A 86 18.878 11.821 11.833 1.00 0.00 C ATOM 1367 CG GLN A 86 18.684 13.211 11.237 1.00 0.00 C ATOM 1368 CD GLN A 86 18.546 14.290 12.301 1.00 0.00 C ATOM 1369 OE1 GLN A 86 19.535 14.890 12.728 1.00 0.00 O ATOM 1370 NE2 GLN A 86 17.324 14.541 12.739 1.00 0.00 N ATOM 0 H GLN A 86 17.320 10.307 10.187 1.00 0.00 H new ATOM 0 HA GLN A 86 20.179 11.092 10.293 1.00 0.00 H new ATOM 0 HB2 GLN A 86 17.953 11.513 12.320 1.00 0.00 H new ATOM 0 HB3 GLN A 86 19.644 11.872 12.607 1.00 0.00 H new ATOM 0 HG2 GLN A 86 19.531 13.447 10.593 1.00 0.00 H new ATOM 0 HG3 GLN A 86 17.794 13.211 10.607 1.00 0.00 H new ATOM 0 HE21 GLN A 86 16.530 14.023 12.361 1.00 0.00 H new ATOM 0 HE22 GLN A 86 17.175 15.252 13.455 1.00 0.00 H new ATOM 1379 N ALA A 87 18.510 8.710 11.852 1.00 0.00 N ATOM 1380 CA ALA A 87 18.627 7.377 12.437 1.00 0.00 C ATOM 1381 C ALA A 87 18.695 6.338 11.321 1.00 0.00 C ATOM 1382 O ALA A 87 18.715 5.129 11.568 1.00 0.00 O ATOM 1383 CB ALA A 87 17.444 7.103 13.363 1.00 0.00 C ATOM 0 H ALA A 87 17.548 9.028 11.729 1.00 0.00 H new ATOM 0 HA ALA A 87 19.540 7.318 13.029 1.00 0.00 H new ATOM 0 HB1 ALA A 87 17.542 6.106 13.793 1.00 0.00 H new ATOM 0 HB2 ALA A 87 17.429 7.844 14.163 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.516 7.163 12.795 1.00 0.00 H new ATOM 1389 N TRP A 88 18.726 6.841 10.092 1.00 0.00 N ATOM 1390 CA TRP A 88 18.781 6.024 8.887 1.00 0.00 C ATOM 1391 C TRP A 88 20.048 5.156 8.864 1.00 0.00 C ATOM 1392 O TRP A 88 20.959 5.352 9.677 1.00 0.00 O ATOM 1393 CB TRP A 88 18.733 6.955 7.664 1.00 0.00 C ATOM 1394 CG TRP A 88 18.402 6.263 6.378 1.00 0.00 C ATOM 1395 CD1 TRP A 88 17.216 5.679 6.053 1.00 0.00 C ATOM 1396 CD2 TRP A 88 19.256 6.099 5.242 1.00 0.00 C ATOM 1397 NE1 TRP A 88 17.280 5.146 4.795 1.00 0.00 N ATOM 1398 CE2 TRP A 88 18.522 5.394 4.272 1.00 0.00 C ATOM 1399 CE3 TRP A 88 20.570 6.474 4.950 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 19.057 5.059 3.037 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 21.098 6.139 3.718 1.00 0.00 C ATOM 1402 CH2 TRP A 88 20.341 5.439 2.776 1.00 0.00 C ATOM 0 H TRP A 88 18.713 7.843 9.903 1.00 0.00 H new ATOM 0 HA TRP A 88 17.928 5.346 8.868 1.00 0.00 H new ATOM 0 HB2 TRP A 88 17.994 7.735 7.844 1.00 0.00 H new ATOM 0 HB3 TRP A 88 19.699 7.449 7.559 1.00 0.00 H new ATOM 0 HD1 TRP A 88 16.349 5.642 6.696 1.00 0.00 H new ATOM 0 HE1 TRP A 88 16.527 4.646 4.323 1.00 0.00 H new ATOM 0 HE3 TRP A 88 21.162 7.015 5.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 18.476 4.515 2.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 22.112 6.423 3.480 1.00 0.00 H new ATOM 0 HH2 TRP A 88 20.781 5.193 1.821 1.00 0.00 H new ATOM 1413 N LEU A 89 20.101 4.205 7.926 1.00 0.00 N ATOM 1414 CA LEU A 89 21.237 3.284 7.807 1.00 0.00 C ATOM 1415 C LEU A 89 22.551 4.057 7.680 1.00 0.00 C ATOM 1416 O LEU A 89 23.444 3.943 8.527 1.00 0.00 O ATOM 1417 CB LEU A 89 21.068 2.351 6.590 1.00 0.00 C ATOM 1418 CG LEU A 89 19.933 1.307 6.681 1.00 0.00 C ATOM 1419 CD1 LEU A 89 18.555 1.965 6.622 1.00 0.00 C ATOM 1420 CD2 LEU A 89 20.080 0.263 5.574 1.00 0.00 C ATOM 0 H LEU A 89 19.367 4.052 7.235 1.00 0.00 H new ATOM 0 HA LEU A 89 21.265 2.679 8.713 1.00 0.00 H new ATOM 0 HB2 LEU A 89 20.896 2.967 5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 89 22.008 1.822 6.431 1.00 0.00 H new ATOM 0 HG LEU A 89 20.016 0.809 7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.783 1.199 6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 89 18.448 2.661 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.450 2.505 5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 89 19.273 -0.466 5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 89 20.033 0.754 4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 89 21.039 -0.245 5.678 1.00 0.00 H new ATOM 1432 N GLY A 90 22.657 4.839 6.614 1.00 0.00 N ATOM 1433 CA GLY A 90 23.830 5.664 6.393 1.00 0.00 C ATOM 1434 C GLY A 90 24.475 5.398 5.048 1.00 0.00 C ATOM 1435 O GLY A 90 24.038 4.515 4.306 1.00 0.00 O ATOM 0 H GLY A 90 21.943 4.917 5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.549 6.715 6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 90 24.556 5.479 7.185 1.00 0.00 H new ATOM 1439 N GLU A 91 25.528 6.154 4.755 1.00 0.00 N ATOM 1440 CA GLU A 91 26.282 6.039 3.501 1.00 0.00 C ATOM 1441 C GLU A 91 26.807 4.614 3.273 1.00 0.00 C ATOM 1442 O GLU A 91 27.268 4.282 2.178 1.00 0.00 O ATOM 1443 CB GLU A 91 27.469 7.017 3.516 1.00 0.00 C ATOM 1444 CG GLU A 91 27.111 8.433 3.964 1.00 0.00 C ATOM 1445 CD GLU A 91 26.060 9.093 3.087 1.00 0.00 C ATOM 1446 OE1 GLU A 91 26.427 9.640 2.023 1.00 0.00 O ATOM 1447 OE2 GLU A 91 24.867 9.079 3.461 1.00 0.00 O ATOM 0 H GLU A 91 25.889 6.872 5.383 1.00 0.00 H new ATOM 0 HA GLU A 91 25.599 6.282 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 91 28.241 6.623 4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 91 27.900 7.063 2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 91 26.749 8.401 4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.012 9.046 3.963 1.00 0.00 H new ATOM 1454 N GLU A 92 26.740 3.779 4.308 1.00 0.00 N ATOM 1455 CA GLU A 92 27.260 2.417 4.244 1.00 0.00 C ATOM 1456 C GLU A 92 26.427 1.556 3.300 1.00 0.00 C ATOM 1457 O GLU A 92 26.957 0.667 2.635 1.00 0.00 O ATOM 1458 CB GLU A 92 27.287 1.789 5.647 1.00 0.00 C ATOM 1459 CG GLU A 92 25.929 1.762 6.347 1.00 0.00 C ATOM 1460 CD GLU A 92 26.002 1.157 7.740 1.00 0.00 C ATOM 1461 OE1 GLU A 92 26.469 1.850 8.669 1.00 0.00 O ATOM 1462 OE2 GLU A 92 25.604 -0.014 7.914 1.00 0.00 O ATOM 0 H GLU A 92 26.327 4.026 5.207 1.00 0.00 H new ATOM 0 HA GLU A 92 28.278 2.463 3.856 1.00 0.00 H new ATOM 0 HB2 GLU A 92 27.663 0.769 5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 92 27.992 2.343 6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.539 2.778 6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 92 25.224 1.191 5.743 1.00 0.00 H new ATOM 1469 N VAL A 93 25.130 1.844 3.220 1.00 0.00 N ATOM 1470 CA VAL A 93 24.213 1.016 2.442 1.00 0.00 C ATOM 1471 C VAL A 93 24.500 1.130 0.941 1.00 0.00 C ATOM 1472 O VAL A 93 24.132 0.254 0.158 1.00 0.00 O ATOM 1473 CB VAL A 93 22.730 1.376 2.725 1.00 0.00 C ATOM 1474 CG1 VAL A 93 22.394 2.771 2.208 1.00 0.00 C ATOM 1475 CG2 VAL A 93 21.786 0.329 2.132 1.00 0.00 C ATOM 0 H VAL A 93 24.692 2.641 3.682 1.00 0.00 H new ATOM 0 HA VAL A 93 24.378 -0.015 2.754 1.00 0.00 H new ATOM 0 HB VAL A 93 22.590 1.378 3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 93 21.349 2.996 2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 93 23.031 3.505 2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 93 22.562 2.810 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 93 20.754 0.607 2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 93 21.932 0.277 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 93 21.998 -0.644 2.574 1.00 0.00 H new ATOM 1485 N LEU A 94 25.172 2.213 0.550 1.00 0.00 N ATOM 1486 CA LEU A 94 25.543 2.427 -0.850 1.00 0.00 C ATOM 1487 C LEU A 94 26.584 1.397 -1.293 1.00 0.00 C ATOM 1488 O LEU A 94 26.690 1.075 -2.480 1.00 0.00 O ATOM 1489 CB LEU A 94 26.091 3.853 -1.061 1.00 0.00 C ATOM 1490 CG LEU A 94 25.049 4.992 -1.044 1.00 0.00 C ATOM 1491 CD1 LEU A 94 23.973 4.754 -2.096 1.00 0.00 C ATOM 1492 CD2 LEU A 94 24.423 5.161 0.339 1.00 0.00 C ATOM 0 H LEU A 94 25.471 2.956 1.182 1.00 0.00 H new ATOM 0 HA LEU A 94 24.646 2.306 -1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 94 26.831 4.054 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 94 26.614 3.881 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 94 25.571 5.918 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 94 23.249 5.568 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 94 24.433 4.712 -3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 94 23.466 3.811 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 94 23.695 5.972 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 94 23.925 4.236 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 94 25.202 5.397 1.064 1.00 0.00 H new ATOM 1504 N ALA A 95 27.351 0.894 -0.328 1.00 0.00 N ATOM 1505 CA ALA A 95 28.391 -0.099 -0.594 1.00 0.00 C ATOM 1506 C ALA A 95 27.954 -1.483 -0.118 1.00 0.00 C ATOM 1507 O ALA A 95 28.344 -2.501 -0.693 1.00 0.00 O ATOM 1508 CB ALA A 95 29.695 0.311 0.083 1.00 0.00 C ATOM 0 H ALA A 95 27.271 1.160 0.653 1.00 0.00 H new ATOM 0 HA ALA A 95 28.555 -0.147 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.462 -0.436 -0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 95 30.017 1.278 -0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 95 29.539 0.385 1.159 1.00 0.00 H new ATOM 1514 N GLU A 96 27.137 -1.510 0.932 1.00 0.00 N ATOM 1515 CA GLU A 96 26.648 -2.760 1.512 1.00 0.00 C ATOM 1516 C GLU A 96 25.125 -2.841 1.386 1.00 0.00 C ATOM 1517 O GLU A 96 24.398 -2.442 2.301 1.00 0.00 O ATOM 1518 CB GLU A 96 27.049 -2.854 2.989 1.00 0.00 C ATOM 1519 CG GLU A 96 28.541 -2.681 3.246 1.00 0.00 C ATOM 1520 CD GLU A 96 28.880 -2.758 4.724 1.00 0.00 C ATOM 1521 OE1 GLU A 96 28.691 -1.750 5.438 1.00 0.00 O ATOM 1522 OE2 GLU A 96 29.315 -3.835 5.185 1.00 0.00 O ATOM 0 H GLU A 96 26.796 -0.672 1.403 1.00 0.00 H new ATOM 0 HA GLU A 96 27.096 -3.592 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 96 26.505 -2.094 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 96 26.735 -3.823 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 96 29.093 -3.452 2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 96 28.867 -1.720 2.850 1.00 0.00 H new ATOM 1529 N PRO A 97 24.620 -3.335 0.245 1.00 0.00 N ATOM 1530 CA PRO A 97 23.185 -3.413 -0.013 1.00 0.00 C ATOM 1531 C PRO A 97 22.555 -4.696 0.536 1.00 0.00 C ATOM 1532 O PRO A 97 23.258 -5.630 0.933 1.00 0.00 O ATOM 1533 CB PRO A 97 23.131 -3.389 -1.536 1.00 0.00 C ATOM 1534 CG PRO A 97 24.362 -4.125 -1.958 1.00 0.00 C ATOM 1535 CD PRO A 97 25.405 -3.854 -0.895 1.00 0.00 C ATOM 0 HA PRO A 97 22.626 -2.612 0.471 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.229 -3.874 -1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 97 23.126 -2.368 -1.918 1.00 0.00 H new ATOM 0 HG2 PRO A 97 24.165 -5.193 -2.046 1.00 0.00 H new ATOM 0 HG3 PRO A 97 24.704 -3.782 -2.935 1.00 0.00 H new ATOM 0 HD2 PRO A 97 25.948 -4.760 -0.627 1.00 0.00 H new ATOM 0 HD3 PRO A 97 26.144 -3.128 -1.235 1.00 0.00 H new ATOM 1543 N ARG A 98 21.226 -4.729 0.540 1.00 0.00 N ATOM 1544 CA ARG A 98 20.468 -5.878 1.027 1.00 0.00 C ATOM 1545 C ARG A 98 19.024 -5.768 0.532 1.00 0.00 C ATOM 1546 O ARG A 98 18.541 -4.659 0.300 1.00 0.00 O ATOM 1547 CB ARG A 98 20.529 -5.941 2.563 1.00 0.00 C ATOM 1548 CG ARG A 98 19.896 -4.743 3.262 1.00 0.00 C ATOM 1549 CD ARG A 98 20.266 -4.690 4.739 1.00 0.00 C ATOM 1550 NE ARG A 98 19.878 -5.913 5.443 1.00 0.00 N ATOM 1551 CZ ARG A 98 20.718 -6.679 6.142 1.00 0.00 C ATOM 1552 NH1 ARG A 98 22.003 -6.352 6.236 1.00 0.00 N ATOM 1553 NH2 ARG A 98 20.273 -7.772 6.746 1.00 0.00 N ATOM 0 H ARG A 98 20.644 -3.961 0.206 1.00 0.00 H new ATOM 0 HA ARG A 98 20.902 -6.801 0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.029 -6.850 2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 98 21.572 -6.019 2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 98 20.219 -3.824 2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 98 18.812 -4.794 3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 98 21.341 -4.539 4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 98 19.779 -3.833 5.205 1.00 0.00 H new ATOM 0 HE ARG A 98 18.900 -6.199 5.396 1.00 0.00 H new ATOM 0 HH11 ARG A 98 22.351 -5.512 5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 98 22.641 -6.941 6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 98 19.288 -8.028 6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 98 20.916 -8.357 7.280 1.00 0.00 H new ATOM 1567 N PRO A 99 18.319 -6.905 0.365 1.00 0.00 N ATOM 1568 CA PRO A 99 16.980 -6.935 -0.260 1.00 0.00 C ATOM 1569 C PRO A 99 15.951 -6.059 0.462 1.00 0.00 C ATOM 1570 O PRO A 99 14.992 -5.589 -0.149 1.00 0.00 O ATOM 1571 CB PRO A 99 16.577 -8.423 -0.191 1.00 0.00 C ATOM 1572 CG PRO A 99 17.462 -9.016 0.854 1.00 0.00 C ATOM 1573 CD PRO A 99 18.757 -8.255 0.769 1.00 0.00 C ATOM 0 HA PRO A 99 17.009 -6.533 -1.273 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.525 -8.535 0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.718 -8.915 -1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.016 -8.922 1.844 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.620 -10.080 0.676 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.281 -8.241 1.725 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.437 -8.695 0.039 1.00 0.00 H new ATOM 1581 N ASP A 100 16.156 -5.838 1.757 1.00 0.00 N ATOM 1582 CA ASP A 100 15.211 -5.054 2.560 1.00 0.00 C ATOM 1583 C ASP A 100 15.660 -3.600 2.651 1.00 0.00 C ATOM 1584 O ASP A 100 14.837 -2.701 2.810 1.00 0.00 O ATOM 1585 CB ASP A 100 15.072 -5.653 3.967 1.00 0.00 C ATOM 1586 CG ASP A 100 16.376 -5.637 4.750 1.00 0.00 C ATOM 1587 OD1 ASP A 100 17.252 -6.479 4.458 1.00 0.00 O ATOM 1588 OD2 ASP A 100 16.525 -4.795 5.658 1.00 0.00 O ATOM 0 H ASP A 100 16.963 -6.187 2.275 1.00 0.00 H new ATOM 0 HA ASP A 100 14.239 -5.088 2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 100 14.315 -5.096 4.520 1.00 0.00 H new ATOM 0 HB3 ASP A 100 14.716 -6.680 3.885 1.00 0.00 H new ATOM 1593 N MET A 101 16.974 -3.401 2.534 1.00 0.00 N ATOM 1594 CA MET A 101 17.625 -2.080 2.579 1.00 0.00 C ATOM 1595 C MET A 101 16.939 -1.070 3.521 1.00 0.00 C ATOM 1596 O MET A 101 17.303 -0.962 4.693 1.00 0.00 O ATOM 1597 CB MET A 101 17.838 -1.507 1.152 1.00 0.00 C ATOM 1598 CG MET A 101 16.691 -1.733 0.158 1.00 0.00 C ATOM 1599 SD MET A 101 15.323 -0.574 0.353 1.00 0.00 S ATOM 1600 CE MET A 101 14.159 -1.194 -0.857 1.00 0.00 C ATOM 0 H MET A 101 17.634 -4.167 2.402 1.00 0.00 H new ATOM 0 HA MET A 101 18.606 -2.247 3.023 1.00 0.00 H new ATOM 0 HB2 MET A 101 18.014 -0.435 1.235 1.00 0.00 H new ATOM 0 HB3 MET A 101 18.744 -1.948 0.737 1.00 0.00 H new ATOM 0 HG2 MET A 101 17.081 -1.654 -0.857 1.00 0.00 H new ATOM 0 HG3 MET A 101 16.314 -2.749 0.276 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.146 -0.918 -0.563 1.00 0.00 H new ATOM 0 HE2 MET A 101 14.384 -0.762 -1.832 1.00 0.00 H new ATOM 0 HE3 MET A 101 14.237 -2.280 -0.914 1.00 0.00 H new ATOM 1610 N PHE A 102 15.928 -0.368 3.025 1.00 0.00 N ATOM 1611 CA PHE A 102 15.338 0.768 3.736 1.00 0.00 C ATOM 1612 C PHE A 102 14.036 0.353 4.417 1.00 0.00 C ATOM 1613 O PHE A 102 13.186 1.189 4.714 1.00 0.00 O ATOM 1614 CB PHE A 102 15.086 1.925 2.751 1.00 0.00 C ATOM 1615 CG PHE A 102 16.241 2.189 1.810 1.00 0.00 C ATOM 1616 CD1 PHE A 102 17.556 2.076 2.245 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.009 2.540 0.487 1.00 0.00 C ATOM 1618 CE1 PHE A 102 18.610 2.303 1.381 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.062 2.773 -0.378 1.00 0.00 C ATOM 1620 CZ PHE A 102 18.363 2.655 0.070 1.00 0.00 C ATOM 0 H PHE A 102 15.493 -0.565 2.124 1.00 0.00 H new ATOM 0 HA PHE A 102 16.033 1.104 4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.195 1.702 2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.876 2.832 3.317 1.00 0.00 H new ATOM 0 HD1 PHE A 102 17.757 1.807 3.272 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.994 2.632 0.129 1.00 0.00 H new ATOM 0 HE1 PHE A 102 19.627 2.205 1.732 1.00 0.00 H new ATOM 0 HE2 PHE A 102 16.867 3.047 -1.404 1.00 0.00 H new ATOM 0 HZ PHE A 102 19.186 2.838 -0.605 1.00 0.00 H new ATOM 1630 N ARG A 103 13.924 -0.949 4.673 1.00 0.00 N ATOM 1631 CA ARG A 103 12.751 -1.571 5.302 1.00 0.00 C ATOM 1632 C ARG A 103 12.147 -0.717 6.425 1.00 0.00 C ATOM 1633 O ARG A 103 10.926 -0.546 6.484 1.00 0.00 O ATOM 1634 CB ARG A 103 13.161 -2.957 5.827 1.00 0.00 C ATOM 1635 CG ARG A 103 12.221 -3.572 6.862 1.00 0.00 C ATOM 1636 CD ARG A 103 12.701 -4.961 7.284 1.00 0.00 C ATOM 1637 NE ARG A 103 14.168 -5.033 7.352 1.00 0.00 N ATOM 1638 CZ ARG A 103 14.873 -5.383 8.428 1.00 0.00 C ATOM 1639 NH1 ARG A 103 14.268 -5.694 9.567 1.00 0.00 N ATOM 1640 NH2 ARG A 103 16.197 -5.420 8.346 1.00 0.00 N ATOM 0 H ARG A 103 14.659 -1.619 4.446 1.00 0.00 H new ATOM 0 HA ARG A 103 11.968 -1.663 4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.237 -3.639 4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.156 -2.881 6.265 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.162 -2.923 7.736 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.215 -3.641 6.448 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.279 -5.211 8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.333 -5.704 6.576 1.00 0.00 H new ATOM 0 HE ARG A 103 14.688 -4.796 6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.250 -5.667 9.628 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.821 -5.960 10.382 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.660 -5.183 7.469 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.751 -5.686 9.160 1.00 0.00 H new ATOM 1654 N ALA A 104 12.997 -0.176 7.296 1.00 0.00 N ATOM 1655 CA ALA A 104 12.535 0.633 8.426 1.00 0.00 C ATOM 1656 C ALA A 104 11.715 1.832 7.945 1.00 0.00 C ATOM 1657 O ALA A 104 10.576 2.039 8.380 1.00 0.00 O ATOM 1658 CB ALA A 104 13.720 1.102 9.267 1.00 0.00 C ATOM 0 H ALA A 104 14.010 -0.282 7.242 1.00 0.00 H new ATOM 0 HA ALA A 104 11.891 0.009 9.046 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.359 1.702 10.102 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.260 0.236 9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.388 1.704 8.651 1.00 0.00 H new ATOM 1664 N GLN A 105 12.300 2.605 7.037 1.00 0.00 N ATOM 1665 CA GLN A 105 11.655 3.794 6.491 1.00 0.00 C ATOM 1666 C GLN A 105 10.490 3.406 5.583 1.00 0.00 C ATOM 1667 O GLN A 105 9.441 4.048 5.596 1.00 0.00 O ATOM 1668 CB GLN A 105 12.674 4.655 5.725 1.00 0.00 C ATOM 1669 CG GLN A 105 13.629 5.433 6.630 1.00 0.00 C ATOM 1670 CD GLN A 105 14.486 4.547 7.518 1.00 0.00 C ATOM 1671 OE1 GLN A 105 14.844 3.427 7.148 1.00 0.00 O ATOM 1672 NE2 GLN A 105 14.823 5.048 8.696 1.00 0.00 N ATOM 0 H GLN A 105 13.231 2.427 6.660 1.00 0.00 H new ATOM 0 HA GLN A 105 11.261 4.382 7.320 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.257 4.011 5.066 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.136 5.359 5.090 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.280 6.050 6.011 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.050 6.110 7.258 1.00 0.00 H new ATOM 0 HE21 GLN A 105 14.506 5.980 8.964 1.00 0.00 H new ATOM 0 HE22 GLN A 105 15.400 4.502 9.336 1.00 0.00 H new ATOM 1681 N GLN A 106 10.679 2.336 4.822 1.00 0.00 N ATOM 1682 CA GLN A 106 9.663 1.850 3.893 1.00 0.00 C ATOM 1683 C GLN A 106 8.357 1.572 4.629 1.00 0.00 C ATOM 1684 O GLN A 106 7.291 2.055 4.237 1.00 0.00 O ATOM 1685 CB GLN A 106 10.175 0.586 3.178 1.00 0.00 C ATOM 1686 CG GLN A 106 9.170 -0.071 2.229 1.00 0.00 C ATOM 1687 CD GLN A 106 8.413 -1.233 2.858 1.00 0.00 C ATOM 1688 OE1 GLN A 106 7.343 -1.063 3.442 1.00 0.00 O ATOM 1689 NE2 GLN A 106 8.974 -2.428 2.749 1.00 0.00 N ATOM 0 H GLN A 106 11.535 1.782 4.830 1.00 0.00 H new ATOM 0 HA GLN A 106 9.466 2.617 3.144 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.071 0.844 2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.472 -0.144 3.931 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.454 0.680 1.893 1.00 0.00 H new ATOM 0 HG3 GLN A 106 9.697 -0.427 1.344 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.862 -2.532 2.258 1.00 0.00 H new ATOM 0 HE22 GLN A 106 8.518 -3.244 3.156 1.00 0.00 H new ATOM 1698 N LEU A 107 8.453 0.819 5.719 1.00 0.00 N ATOM 1699 CA LEU A 107 7.277 0.462 6.496 1.00 0.00 C ATOM 1700 C LEU A 107 6.758 1.681 7.259 1.00 0.00 C ATOM 1701 O LEU A 107 5.580 1.749 7.611 1.00 0.00 O ATOM 1702 CB LEU A 107 7.592 -0.684 7.467 1.00 0.00 C ATOM 1703 CG LEU A 107 6.364 -1.328 8.130 1.00 0.00 C ATOM 1704 CD1 LEU A 107 5.508 -2.057 7.095 1.00 0.00 C ATOM 1705 CD2 LEU A 107 6.786 -2.273 9.255 1.00 0.00 C ATOM 0 H LEU A 107 9.330 0.446 6.082 1.00 0.00 H new ATOM 0 HA LEU A 107 6.502 0.122 5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.142 -1.456 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.253 -0.308 8.248 1.00 0.00 H new ATOM 0 HG LEU A 107 5.759 -0.534 8.568 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.645 -2.505 7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.168 -1.348 6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.100 -2.839 6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.900 -2.717 9.709 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.419 -3.062 8.849 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.340 -1.715 10.010 1.00 0.00 H new ATOM 1717 N GLN A 108 7.643 2.649 7.507 1.00 0.00 N ATOM 1718 CA GLN A 108 7.251 3.886 8.177 1.00 0.00 C ATOM 1719 C GLN A 108 6.328 4.700 7.270 1.00 0.00 C ATOM 1720 O GLN A 108 5.348 5.282 7.736 1.00 0.00 O ATOM 1721 CB GLN A 108 8.488 4.706 8.587 1.00 0.00 C ATOM 1722 CG GLN A 108 8.169 5.982 9.368 1.00 0.00 C ATOM 1723 CD GLN A 108 7.363 5.742 10.640 1.00 0.00 C ATOM 1724 OE1 GLN A 108 7.550 4.594 11.276 1.00 0.00 O flip ATOM 1725 NE2 GLN A 108 6.587 6.601 11.063 1.00 0.00 N flip ATOM 0 H GLN A 108 8.630 2.599 7.255 1.00 0.00 H new ATOM 0 HA GLN A 108 6.708 3.633 9.088 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.141 4.078 9.192 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.045 4.974 7.689 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.103 6.479 9.630 1.00 0.00 H new ATOM 0 HG3 GLN A 108 7.615 6.663 8.722 1.00 0.00 H new ATOM 0 HE21 GLN A 108 6.465 7.475 10.551 1.00 0.00 H new ATOM 0 HE22 GLN A 108 6.067 6.438 11.925 1.00 0.00 H new ATOM 1734 N ILE A 109 6.634 4.719 5.971 1.00 0.00 N ATOM 1735 CA ILE A 109 5.753 5.349 4.982 1.00 0.00 C ATOM 1736 C ILE A 109 4.387 4.663 4.995 1.00 0.00 C ATOM 1737 O ILE A 109 3.346 5.328 5.031 1.00 0.00 O ATOM 1738 CB ILE A 109 6.359 5.309 3.542 1.00 0.00 C ATOM 1739 CG1 ILE A 109 7.315 6.497 3.305 1.00 0.00 C ATOM 1740 CG2 ILE A 109 5.263 5.293 2.471 1.00 0.00 C ATOM 1741 CD1 ILE A 109 8.525 6.523 4.211 1.00 0.00 C ATOM 0 H ILE A 109 7.481 4.308 5.579 1.00 0.00 H new ATOM 0 HA ILE A 109 5.643 6.398 5.259 1.00 0.00 H new ATOM 0 HB ILE A 109 6.929 4.383 3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.654 6.472 2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.759 7.425 3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.721 5.265 1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.636 4.412 2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.652 6.191 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.139 7.391 3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.200 6.582 5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.109 5.614 4.064 1.00 0.00 H new ATOM 1753 N PHE A 110 4.405 3.331 4.983 1.00 0.00 N ATOM 1754 CA PHE A 110 3.178 2.541 5.039 1.00 0.00 C ATOM 1755 C PHE A 110 2.350 2.954 6.254 1.00 0.00 C ATOM 1756 O PHE A 110 1.198 3.367 6.127 1.00 0.00 O ATOM 1757 CB PHE A 110 3.515 1.038 5.107 1.00 0.00 C ATOM 1758 CG PHE A 110 2.308 0.126 5.025 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.483 -0.080 6.128 1.00 0.00 C ATOM 1760 CD2 PHE A 110 1.998 -0.521 3.839 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.382 -0.908 6.040 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.896 -1.348 3.749 1.00 0.00 C ATOM 1763 CZ PHE A 110 0.088 -1.542 4.849 1.00 0.00 C ATOM 0 H PHE A 110 5.259 2.776 4.935 1.00 0.00 H new ATOM 0 HA PHE A 110 2.596 2.725 4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.197 0.793 4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.045 0.838 6.038 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.707 0.413 7.062 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.627 -0.376 2.973 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.250 -1.060 6.903 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.667 -1.843 2.817 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.774 -2.189 4.779 1.00 0.00 H new ATOM 1773 N ASN A 111 2.971 2.864 7.426 1.00 0.00 N ATOM 1774 CA ASN A 111 2.305 3.145 8.695 1.00 0.00 C ATOM 1775 C ASN A 111 1.855 4.601 8.788 1.00 0.00 C ATOM 1776 O ASN A 111 0.845 4.902 9.426 1.00 0.00 O ATOM 1777 CB ASN A 111 3.233 2.800 9.870 1.00 0.00 C ATOM 1778 CG ASN A 111 3.417 1.301 10.052 1.00 0.00 C ATOM 1779 OD1 ASN A 111 2.502 0.516 9.798 1.00 0.00 O ATOM 1780 ND2 ASN A 111 4.600 0.895 10.487 1.00 0.00 N ATOM 0 H ASN A 111 3.950 2.594 7.524 1.00 0.00 H new ATOM 0 HA ASN A 111 1.414 2.520 8.745 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.206 3.264 9.708 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.825 3.226 10.787 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.779 -0.100 10.623 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.332 1.577 10.686 1.00 0.00 H new ATOM 1787 N LEU A 112 2.600 5.498 8.149 1.00 0.00 N ATOM 1788 CA LEU A 112 2.280 6.924 8.175 1.00 0.00 C ATOM 1789 C LEU A 112 0.957 7.175 7.447 1.00 0.00 C ATOM 1790 O LEU A 112 -0.007 7.666 8.042 1.00 0.00 O ATOM 1791 CB LEU A 112 3.428 7.736 7.537 1.00 0.00 C ATOM 1792 CG LEU A 112 3.461 9.252 7.848 1.00 0.00 C ATOM 1793 CD1 LEU A 112 4.799 9.854 7.424 1.00 0.00 C ATOM 1794 CD2 LEU A 112 2.311 9.995 7.166 1.00 0.00 C ATOM 0 H LEU A 112 3.431 5.264 7.606 1.00 0.00 H new ATOM 0 HA LEU A 112 2.168 7.250 9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.374 7.301 7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.373 7.611 6.456 1.00 0.00 H new ATOM 0 HG LEU A 112 3.341 9.368 8.925 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.806 10.920 7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.607 9.363 7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.940 9.709 6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.369 11.056 7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.383 9.865 6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.360 9.594 7.517 1.00 0.00 H new ATOM 1806 N MET A 113 0.909 6.809 6.167 1.00 0.00 N ATOM 1807 CA MET A 113 -0.273 7.059 5.339 1.00 0.00 C ATOM 1808 C MET A 113 -1.426 6.152 5.771 1.00 0.00 C ATOM 1809 O MET A 113 -2.598 6.479 5.559 1.00 0.00 O ATOM 1810 CB MET A 113 0.035 6.822 3.851 1.00 0.00 C ATOM 1811 CG MET A 113 1.413 7.310 3.409 1.00 0.00 C ATOM 1812 SD MET A 113 1.633 9.091 3.598 1.00 0.00 S ATOM 1813 CE MET A 113 0.542 9.718 2.325 1.00 0.00 C ATOM 0 H MET A 113 1.672 6.339 5.680 1.00 0.00 H new ATOM 0 HA MET A 113 -0.561 8.102 5.475 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.044 5.755 3.641 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.725 7.323 3.251 1.00 0.00 H new ATOM 0 HG2 MET A 113 2.177 6.793 3.989 1.00 0.00 H new ATOM 0 HG3 MET A 113 1.569 7.040 2.364 1.00 0.00 H new ATOM 0 HE1 MET A 113 1.135 10.120 1.503 1.00 0.00 H new ATOM 0 HE2 MET A 113 -0.089 8.909 1.956 1.00 0.00 H new ATOM 0 HE3 MET A 113 -0.085 10.507 2.740 1.00 0.00 H new ATOM 1823 N LYS A 114 -1.065 5.018 6.384 1.00 0.00 N ATOM 1824 CA LYS A 114 -2.020 4.001 6.836 1.00 0.00 C ATOM 1825 C LYS A 114 -3.176 4.639 7.605 1.00 0.00 C ATOM 1826 O LYS A 114 -4.340 4.342 7.354 1.00 0.00 O ATOM 1827 CB LYS A 114 -1.293 2.973 7.717 1.00 0.00 C ATOM 1828 CG LYS A 114 -2.112 1.736 8.072 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.269 0.707 8.829 1.00 0.00 C ATOM 1830 CE LYS A 114 -0.801 1.229 10.186 1.00 0.00 C ATOM 1831 NZ LYS A 114 0.000 0.218 10.927 1.00 0.00 N ATOM 0 H LYS A 114 -0.093 4.779 6.582 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.438 3.499 5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.385 2.655 7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.983 3.462 8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.968 2.027 8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.507 1.286 7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.852 -0.202 8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.401 0.437 8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.204 2.129 10.042 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.667 1.513 10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.031 0.428 11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.394 -0.729 10.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.986 0.247 10.598 1.00 0.00 H new ATOM 1845 N PHE A 115 -2.842 5.523 8.539 1.00 0.00 N ATOM 1846 CA PHE A 115 -3.848 6.268 9.293 1.00 0.00 C ATOM 1847 C PHE A 115 -3.634 7.765 9.109 1.00 0.00 C ATOM 1848 O PHE A 115 -3.453 8.512 10.072 1.00 0.00 O ATOM 1849 CB PHE A 115 -3.825 5.881 10.781 1.00 0.00 C ATOM 1850 CG PHE A 115 -4.416 4.519 11.053 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -5.788 4.366 11.221 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -3.610 3.394 11.133 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -6.339 3.122 11.463 1.00 0.00 C ATOM 1854 CE2 PHE A 115 -4.158 2.147 11.376 1.00 0.00 C ATOM 1855 CZ PHE A 115 -5.522 2.012 11.541 1.00 0.00 C ATOM 0 H PHE A 115 -1.879 5.743 8.794 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.834 6.010 8.906 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.795 5.901 11.138 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -4.375 6.629 11.352 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -6.432 5.231 11.162 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.542 3.492 11.004 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -7.406 3.018 11.591 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.518 1.279 11.437 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.950 1.039 11.731 1.00 0.00 H new ATOM 1865 N ASP A 116 -3.622 8.184 7.848 1.00 0.00 N ATOM 1866 CA ASP A 116 -3.544 9.599 7.494 1.00 0.00 C ATOM 1867 C ASP A 116 -4.252 9.841 6.164 1.00 0.00 C ATOM 1868 O ASP A 116 -5.428 10.208 6.134 1.00 0.00 O ATOM 1869 CB ASP A 116 -2.081 10.067 7.416 1.00 0.00 C ATOM 1870 CG ASP A 116 -1.949 11.523 6.987 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -2.016 12.416 7.860 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -1.771 11.780 5.778 1.00 0.00 O ATOM 0 H ASP A 116 -3.666 7.557 7.045 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.041 10.178 8.272 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.610 9.936 8.390 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.539 9.435 6.712 1.00 0.00 H new ATOM 1877 N SER A 117 -3.542 9.600 5.067 1.00 0.00 N ATOM 1878 CA SER A 117 -4.095 9.798 3.735 1.00 0.00 C ATOM 1879 C SER A 117 -5.097 8.691 3.407 1.00 0.00 C ATOM 1880 O SER A 117 -6.190 8.965 2.913 1.00 0.00 O ATOM 1881 CB SER A 117 -2.966 9.841 2.699 1.00 0.00 C ATOM 1882 OG SER A 117 -3.458 10.117 1.399 1.00 0.00 O ATOM 0 H SER A 117 -2.578 9.266 5.076 1.00 0.00 H new ATOM 0 HA SER A 117 -4.623 10.751 3.707 1.00 0.00 H new ATOM 0 HB2 SER A 117 -2.240 10.603 2.983 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.440 8.886 2.694 1.00 0.00 H new ATOM 0 HG SER A 117 -3.443 9.297 0.863 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.725 7.442 3.702 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.615 6.298 3.483 1.00 0.00 C ATOM 1890 C TYR A 118 -6.964 6.512 4.172 1.00 0.00 C ATOM 1891 O TYR A 118 -8.022 6.374 3.550 1.00 0.00 O ATOM 1892 CB TYR A 118 -4.955 5.010 3.994 1.00 0.00 C ATOM 1893 CG TYR A 118 -5.892 3.814 4.079 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.369 3.187 2.931 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.301 3.315 5.312 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.220 2.100 3.014 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -7.150 2.231 5.401 1.00 0.00 C ATOM 1898 CZ TYR A 118 -7.607 1.628 4.252 1.00 0.00 C ATOM 1899 OH TYR A 118 -8.454 0.548 4.343 1.00 0.00 O ATOM 0 H TYR A 118 -3.815 7.197 4.093 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.793 6.205 2.412 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.122 4.758 3.337 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.536 5.199 4.982 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -6.070 3.555 1.961 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.947 3.786 6.217 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -7.580 1.623 2.115 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -7.454 1.858 6.368 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.411 0.028 3.514 1.00 0.00 H new ATOM 1909 N ALA A 119 -6.912 6.864 5.454 1.00 0.00 N ATOM 1910 CA ALA A 119 -8.118 7.074 6.252 1.00 0.00 C ATOM 1911 C ALA A 119 -9.022 8.129 5.617 1.00 0.00 C ATOM 1912 O ALA A 119 -10.246 7.996 5.613 1.00 0.00 O ATOM 1913 CB ALA A 119 -7.740 7.482 7.672 1.00 0.00 C ATOM 0 H ALA A 119 -6.042 7.011 5.966 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.672 6.136 6.287 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -8.645 7.636 8.259 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.140 6.695 8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.164 8.407 7.644 1.00 0.00 H new ATOM 1919 N ARG A 120 -8.406 9.174 5.077 1.00 0.00 N ATOM 1920 CA ARG A 120 -9.142 10.264 4.447 1.00 0.00 C ATOM 1921 C ARG A 120 -9.734 9.818 3.112 1.00 0.00 C ATOM 1922 O ARG A 120 -10.909 10.058 2.832 1.00 0.00 O ATOM 1923 CB ARG A 120 -8.216 11.471 4.240 1.00 0.00 C ATOM 1924 CG ARG A 120 -8.904 12.685 3.622 1.00 0.00 C ATOM 1925 CD ARG A 120 -7.948 13.866 3.488 1.00 0.00 C ATOM 1926 NE ARG A 120 -8.617 15.052 2.953 1.00 0.00 N ATOM 1927 CZ ARG A 120 -8.131 16.292 3.036 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -6.962 16.515 3.628 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -8.821 17.304 2.524 1.00 0.00 N ATOM 0 H ARG A 120 -7.393 9.290 5.063 1.00 0.00 H new ATOM 0 HA ARG A 120 -9.962 10.553 5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -7.791 11.758 5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -7.385 11.173 3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.296 12.421 2.640 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -9.756 12.974 4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.520 14.099 4.463 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.120 13.591 2.835 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.514 14.922 2.486 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -6.433 15.737 4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -6.594 17.464 3.689 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -9.718 17.132 2.070 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -8.454 18.254 2.585 1.00 0.00 H new ATOM 1943 N PHE A 121 -8.919 9.138 2.315 1.00 0.00 N ATOM 1944 CA PHE A 121 -9.289 8.762 0.952 1.00 0.00 C ATOM 1945 C PHE A 121 -10.564 7.919 0.929 1.00 0.00 C ATOM 1946 O PHE A 121 -11.484 8.197 0.159 1.00 0.00 O ATOM 1947 CB PHE A 121 -8.135 8.000 0.283 1.00 0.00 C ATOM 1948 CG PHE A 121 -8.437 7.556 -1.128 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -8.473 8.477 -2.168 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.686 6.220 -1.417 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -8.755 8.076 -3.459 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -8.967 5.814 -2.707 1.00 0.00 C ATOM 1953 CZ PHE A 121 -9.001 6.743 -3.728 1.00 0.00 C ATOM 0 H PHE A 121 -7.986 8.832 2.592 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.486 9.677 0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -7.250 8.636 0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.892 7.125 0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.278 9.519 -1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.659 5.489 -0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.783 8.803 -4.257 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -9.160 4.772 -2.917 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.220 6.428 -4.737 1.00 0.00 H new ATOM 1963 N VAL A 122 -10.622 6.904 1.785 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.771 5.999 1.821 1.00 0.00 C ATOM 1965 C VAL A 122 -13.047 6.725 2.259 1.00 0.00 C ATOM 1966 O VAL A 122 -14.156 6.245 2.019 1.00 0.00 O ATOM 1967 CB VAL A 122 -11.518 4.787 2.754 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -10.370 3.929 2.226 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -11.241 5.247 4.184 1.00 0.00 C ATOM 0 H VAL A 122 -9.891 6.686 2.462 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.907 5.633 0.803 1.00 0.00 H new ATOM 0 HB VAL A 122 -12.421 4.176 2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.209 3.084 2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.619 3.561 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.461 4.529 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -11.067 4.378 4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -10.359 5.887 4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -12.099 5.804 4.560 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.884 7.884 2.900 1.00 0.00 N ATOM 1980 CA LYS A 123 -14.025 8.675 3.359 1.00 0.00 C ATOM 1981 C LYS A 123 -14.302 9.849 2.415 1.00 0.00 C ATOM 1982 O LYS A 123 -15.340 10.508 2.523 1.00 0.00 O ATOM 1983 CB LYS A 123 -13.787 9.188 4.789 1.00 0.00 C ATOM 1984 CG LYS A 123 -13.685 8.077 5.838 1.00 0.00 C ATOM 1985 CD LYS A 123 -13.877 8.606 7.260 1.00 0.00 C ATOM 1986 CE LYS A 123 -12.816 9.628 7.655 1.00 0.00 C ATOM 1987 NZ LYS A 123 -11.466 9.021 7.767 1.00 0.00 N ATOM 0 H LYS A 123 -11.975 8.294 3.112 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.901 8.026 3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -12.869 9.775 4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -14.600 9.860 5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.436 7.314 5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -12.711 7.594 5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -14.864 9.062 7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -13.851 7.771 7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -12.792 10.429 6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -13.088 10.082 8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -10.843 9.658 8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -11.536 8.108 8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -11.073 8.872 6.816 1.00 0.00 H new ATOM 2001 N SER A 124 -13.382 10.100 1.485 1.00 0.00 N ATOM 2002 CA SER A 124 -13.529 11.196 0.530 1.00 0.00 C ATOM 2003 C SER A 124 -14.481 10.803 -0.604 1.00 0.00 C ATOM 2004 O SER A 124 -14.547 9.629 -0.986 1.00 0.00 O ATOM 2005 CB SER A 124 -12.159 11.590 -0.037 1.00 0.00 C ATOM 2006 OG SER A 124 -11.297 12.042 0.995 1.00 0.00 O ATOM 0 H SER A 124 -12.525 9.558 1.373 1.00 0.00 H new ATOM 0 HA SER A 124 -13.954 12.053 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.710 10.735 -0.543 1.00 0.00 H new ATOM 0 HB3 SER A 124 -12.282 12.374 -0.784 1.00 0.00 H new ATOM 0 HG SER A 124 -11.114 11.305 1.615 1.00 0.00 H new ATOM 2012 N PRO A 125 -15.248 11.779 -1.144 1.00 0.00 N ATOM 2013 CA PRO A 125 -16.175 11.537 -2.257 1.00 0.00 C ATOM 2014 C PRO A 125 -15.464 10.951 -3.480 1.00 0.00 C ATOM 2015 O PRO A 125 -14.917 11.684 -4.314 1.00 0.00 O ATOM 2016 CB PRO A 125 -16.755 12.928 -2.565 1.00 0.00 C ATOM 2017 CG PRO A 125 -16.562 13.704 -1.306 1.00 0.00 C ATOM 2018 CD PRO A 125 -15.283 13.188 -0.702 1.00 0.00 C ATOM 0 HA PRO A 125 -16.941 10.805 -2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -16.238 13.396 -3.402 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -17.809 12.867 -2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -16.495 14.772 -1.511 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -17.402 13.562 -0.626 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -14.416 13.744 -1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -15.289 13.269 0.385 1.00 0.00 H new ATOM 2026 N LEU A 126 -15.457 9.624 -3.544 1.00 0.00 N ATOM 2027 CA LEU A 126 -14.821 8.876 -4.619 1.00 0.00 C ATOM 2028 C LEU A 126 -14.977 7.385 -4.338 1.00 0.00 C ATOM 2029 O LEU A 126 -15.467 6.628 -5.177 1.00 0.00 O ATOM 2030 CB LEU A 126 -13.328 9.256 -4.751 1.00 0.00 C ATOM 2031 CG LEU A 126 -12.592 8.710 -6.000 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -11.397 9.594 -6.346 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -12.125 7.268 -5.795 1.00 0.00 C ATOM 0 H LEU A 126 -15.899 9.031 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 126 -15.303 9.122 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -13.250 10.343 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.804 8.902 -3.863 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.302 8.723 -6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.892 9.195 -7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.742 10.607 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.702 9.612 -5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -11.613 6.920 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.441 7.224 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -12.987 6.631 -5.599 1.00 0.00 H new ATOM 2045 N TYR A 127 -14.580 6.975 -3.136 1.00 0.00 N ATOM 2046 CA TYR A 127 -14.604 5.565 -2.758 1.00 0.00 C ATOM 2047 C TYR A 127 -16.037 5.071 -2.578 1.00 0.00 C ATOM 2048 O TYR A 127 -16.451 4.091 -3.199 1.00 0.00 O ATOM 2049 CB TYR A 127 -13.803 5.339 -1.470 1.00 0.00 C ATOM 2050 CG TYR A 127 -13.668 3.873 -1.088 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -13.037 2.980 -1.942 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -14.169 3.382 0.116 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -12.905 1.645 -1.616 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -14.039 2.045 0.449 1.00 0.00 C ATOM 2055 CZ TYR A 127 -13.405 1.182 -0.423 1.00 0.00 C ATOM 2056 OH TYR A 127 -13.268 -0.150 -0.099 1.00 0.00 O ATOM 0 H TYR A 127 -14.237 7.600 -2.406 1.00 0.00 H new ATOM 0 HA TYR A 127 -14.143 4.994 -3.564 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -12.808 5.768 -1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -14.285 5.876 -0.653 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -12.641 3.337 -2.881 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -14.666 4.055 0.799 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -12.411 0.967 -2.296 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -14.431 1.678 1.386 1.00 0.00 H new ATOM 0 HH TYR A 127 -14.090 -0.469 0.328 1.00 0.00 H new ATOM 2066 N ARG A 128 -16.795 5.766 -1.730 1.00 0.00 N ATOM 2067 CA ARG A 128 -18.180 5.388 -1.445 1.00 0.00 C ATOM 2068 C ARG A 128 -19.001 5.399 -2.729 1.00 0.00 C ATOM 2069 O ARG A 128 -19.929 4.607 -2.897 1.00 0.00 O ATOM 2070 CB ARG A 128 -18.804 6.352 -0.425 1.00 0.00 C ATOM 2071 CG ARG A 128 -18.008 6.494 0.870 1.00 0.00 C ATOM 2072 CD ARG A 128 -17.834 5.161 1.588 1.00 0.00 C ATOM 2073 NE ARG A 128 -19.118 4.538 1.924 1.00 0.00 N ATOM 2074 CZ ARG A 128 -19.340 3.824 3.027 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -18.394 3.705 3.952 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -20.520 3.255 3.216 1.00 0.00 N ATOM 0 H ARG A 128 -16.474 6.594 -1.228 1.00 0.00 H new ATOM 0 HA ARG A 128 -18.181 4.382 -1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -18.905 7.335 -0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -19.810 6.007 -0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -17.028 6.916 0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -18.515 7.197 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -17.258 4.484 0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -17.258 5.315 2.500 1.00 0.00 H new ATOM 0 HE ARG A 128 -19.892 4.659 1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -17.491 4.162 3.820 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -18.570 3.157 4.794 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -21.256 3.364 2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -20.693 2.708 4.059 1.00 0.00 H new ATOM 2090 N GLU A 129 -18.629 6.299 -3.628 1.00 0.00 N ATOM 2091 CA GLU A 129 -19.298 6.464 -4.909 1.00 0.00 C ATOM 2092 C GLU A 129 -19.012 5.271 -5.822 1.00 0.00 C ATOM 2093 O GLU A 129 -19.931 4.686 -6.393 1.00 0.00 O ATOM 2094 CB GLU A 129 -18.841 7.776 -5.572 1.00 0.00 C ATOM 2095 CG GLU A 129 -19.367 9.049 -4.898 1.00 0.00 C ATOM 2096 CD GLU A 129 -19.045 9.152 -3.406 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -17.917 8.786 -3.001 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -19.923 9.600 -2.635 1.00 0.00 O ATOM 0 H GLU A 129 -17.848 6.940 -3.487 1.00 0.00 H new ATOM 0 HA GLU A 129 -20.374 6.511 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -17.751 7.806 -5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -19.163 7.773 -6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -18.948 9.916 -5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -20.448 9.094 -5.028 1.00 0.00 H new ATOM 2105 N CYS A 130 -17.737 4.899 -5.939 1.00 0.00 N ATOM 2106 CA CYS A 130 -17.344 3.758 -6.766 1.00 0.00 C ATOM 2107 C CYS A 130 -17.962 2.460 -6.238 1.00 0.00 C ATOM 2108 O CYS A 130 -18.185 1.514 -6.995 1.00 0.00 O ATOM 2109 CB CYS A 130 -15.817 3.633 -6.825 1.00 0.00 C ATOM 2110 SG CYS A 130 -14.998 5.001 -7.679 1.00 0.00 S ATOM 0 H CYS A 130 -16.961 5.369 -5.473 1.00 0.00 H new ATOM 0 HA CYS A 130 -17.719 3.931 -7.775 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -15.429 3.569 -5.809 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -15.558 2.700 -7.325 1.00 0.00 H new ATOM 0 HG CYS A 130 -14.964 6.041 -6.900 1.00 0.00 H new