USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=25 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 40 ASN : amide:sc= -1.89! X(o=-1.9!,f=-2) USER MOD Set 1.2: A 113 MET CE :methyl -151:sc= 0 (180deg=-0.00497) USER MOD Set 2.1: A 33 LYS NZ :NH3+ -119:sc= 0.836 (180deg=-1.6!) USER MOD Set 2.2: A 34 LYS NZ :NH3+ 152:sc= -0.151 (180deg=-0.467) USER MOD Set 3.1: A 27 TYR OH : rot -152:sc= 0.452 USER MOD Set 3.2: A 130 CYS SG : rot -23:sc= -0.261 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.155 USER MOD Single : A 20 GLN : amide:sc= -1.8! X(o=-1.8!,f=-1.7) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -158:sc= -0.359 USER MOD Single : A 42 THR OG1 : rot 92:sc= 1.29 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 57:sc= 1.07 USER MOD Single : A 51 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.38) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.039 F(o=-1.2!,f=-0.039) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0627 X(o=-0.063,f=-0.063) USER MOD Single : A 60 GLN : amide:sc= -0.723 K(o=-0.72,f=-5.1!) USER MOD Single : A 63 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.14) USER MOD Single : A 67 ASN : amide:sc= 0.607 K(o=0.61,f=-0.31) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.4) USER MOD Single : A 74 SER OG : rot 180:sc= -2.72! USER MOD Single : A 75 SER OG : rot 164:sc= 0.936 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 86 GLN : amide:sc=-0.000214 X(o=-0.00021,f=-0.00021) USER MOD Single : A 101 MET CE :methyl 168:sc= -0.104 (180deg=-0.388) USER MOD Single : A 105 GLN : amide:sc= -3.63! C(o=-3.6!,f=-4.9!) USER MOD Single : A 106 GLN : amide:sc= -0.45 X(o=-0.45,f=0) USER MOD Single : A 108 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.9!) USER MOD Single : A 111 ASN : amide:sc= -0.477 K(o=-0.48,f=-1.1) USER MOD Single : A 114 LYS NZ :NH3+ 169:sc= -0.0363 (180deg=-0.201) USER MOD Single : A 117 SER OG : rot -111:sc= 0.321 USER MOD Single : A 118 TYR OH : rot 14:sc= 0.196 USER MOD Single : A 123 LYS NZ :NH3+ -172:sc=-0.00277 (180deg=-0.0659) USER MOD Single : A 124 SER OG : rot -140:sc= 1.37 USER MOD Single : A 127 TYR OH : rot -40:sc= -1.27 USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 8 -15.062 -2.520 -4.639 1.00 0.00 N ATOM 107 CA VAL A 8 -14.099 -1.451 -4.360 1.00 0.00 C ATOM 108 C VAL A 8 -14.029 -1.148 -2.862 1.00 0.00 C ATOM 109 O VAL A 8 -12.990 -0.734 -2.353 1.00 0.00 O ATOM 110 CB VAL A 8 -14.445 -0.153 -5.134 1.00 0.00 C ATOM 111 CG1 VAL A 8 -14.313 -0.368 -6.640 1.00 0.00 C ATOM 112 CG2 VAL A 8 -15.847 0.336 -4.776 1.00 0.00 C ATOM 0 HA VAL A 8 -13.126 -1.808 -4.698 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.733 0.617 -4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.561 0.556 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.289 -0.656 -6.878 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.995 -1.157 -6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.067 1.248 -5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.577 -0.431 -5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.899 0.541 -3.707 1.00 0.00 H new ATOM 122 N ALA A 9 -15.135 -1.386 -2.158 1.00 0.00 N ATOM 123 CA ALA A 9 -15.203 -1.157 -0.713 1.00 0.00 C ATOM 124 C ALA A 9 -14.132 -1.963 0.031 1.00 0.00 C ATOM 125 O ALA A 9 -13.738 -1.616 1.148 1.00 0.00 O ATOM 126 CB ALA A 9 -16.593 -1.512 -0.191 1.00 0.00 C ATOM 0 H ALA A 9 -16.001 -1.739 -2.566 1.00 0.00 H new ATOM 0 HA ALA A 9 -15.012 -0.100 -0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.633 -1.338 0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.338 -0.890 -0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.802 -2.562 -0.397 1.00 0.00 H new ATOM 132 N SER A 10 -13.649 -3.029 -0.609 1.00 0.00 N ATOM 133 CA SER A 10 -12.652 -3.915 -0.010 1.00 0.00 C ATOM 134 C SER A 10 -11.324 -3.188 0.229 1.00 0.00 C ATOM 135 O SER A 10 -10.462 -3.685 0.957 1.00 0.00 O ATOM 136 CB SER A 10 -12.431 -5.142 -0.902 1.00 0.00 C ATOM 137 OG SER A 10 -13.656 -5.805 -1.171 1.00 0.00 O ATOM 0 H SER A 10 -13.936 -3.300 -1.550 1.00 0.00 H new ATOM 0 HA SER A 10 -13.033 -4.239 0.958 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.966 -4.835 -1.839 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.741 -5.830 -0.414 1.00 0.00 H new ATOM 0 HG SER A 10 -13.488 -6.583 -1.743 1.00 0.00 H new ATOM 143 N TRP A 11 -11.153 -2.014 -0.388 1.00 0.00 N ATOM 144 CA TRP A 11 -9.948 -1.212 -0.175 1.00 0.00 C ATOM 145 C TRP A 11 -9.882 -0.746 1.276 1.00 0.00 C ATOM 146 O TRP A 11 -8.810 -0.700 1.877 1.00 0.00 O ATOM 147 CB TRP A 11 -9.922 0.026 -1.081 1.00 0.00 C ATOM 148 CG TRP A 11 -10.042 -0.249 -2.552 1.00 0.00 C ATOM 149 CD1 TRP A 11 -9.824 -1.427 -3.209 1.00 0.00 C ATOM 150 CD2 TRP A 11 -10.399 0.707 -3.552 1.00 0.00 C ATOM 151 NE1 TRP A 11 -10.044 -1.257 -4.557 1.00 0.00 N ATOM 152 CE2 TRP A 11 -10.393 0.047 -4.789 1.00 0.00 C ATOM 153 CE3 TRP A 11 -10.726 2.064 -3.509 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -10.708 0.698 -5.979 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -11.037 2.712 -4.685 1.00 0.00 C ATOM 156 CH2 TRP A 11 -11.026 2.030 -5.908 1.00 0.00 C ATOM 0 H TRP A 11 -11.828 -1.603 -1.033 1.00 0.00 H new ATOM 0 HA TRP A 11 -9.093 -1.844 -0.416 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.735 0.689 -0.785 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.991 0.565 -0.904 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -9.524 -2.353 -2.741 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -9.961 -1.984 -5.268 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.735 2.597 -2.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.702 0.173 -6.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -11.293 3.761 -4.663 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -11.273 2.564 -6.814 1.00 0.00 H new ATOM 167 N ALA A 12 -11.053 -0.433 1.836 1.00 0.00 N ATOM 168 CA ALA A 12 -11.150 0.168 3.166 1.00 0.00 C ATOM 169 C ALA A 12 -10.805 -0.834 4.267 1.00 0.00 C ATOM 170 O ALA A 12 -10.764 -0.479 5.448 1.00 0.00 O ATOM 171 CB ALA A 12 -12.551 0.735 3.382 1.00 0.00 C ATOM 0 H ALA A 12 -11.954 -0.588 1.383 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.422 0.977 3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.614 1.180 4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.756 1.496 2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.285 -0.066 3.297 1.00 0.00 H new ATOM 177 N LEU A 13 -10.556 -2.082 3.875 1.00 0.00 N ATOM 178 CA LEU A 13 -10.197 -3.130 4.824 1.00 0.00 C ATOM 179 C LEU A 13 -8.714 -3.043 5.186 1.00 0.00 C ATOM 180 O LEU A 13 -8.328 -3.281 6.332 1.00 0.00 O ATOM 181 CB LEU A 13 -10.521 -4.516 4.244 1.00 0.00 C ATOM 182 CG LEU A 13 -11.997 -4.745 3.870 1.00 0.00 C ATOM 183 CD1 LEU A 13 -12.196 -6.146 3.296 1.00 0.00 C ATOM 184 CD2 LEU A 13 -12.905 -4.518 5.080 1.00 0.00 C ATOM 0 H LEU A 13 -10.597 -2.391 2.904 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.785 -2.985 5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.910 -4.671 3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.226 -5.273 4.970 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.271 -4.021 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.246 -6.288 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.584 -6.263 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.901 -6.888 4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.943 -4.685 4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.632 -5.212 5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.788 -3.495 5.436 1.00 0.00 H new ATOM 196 N SER A 14 -7.883 -2.687 4.208 1.00 0.00 N ATOM 197 CA SER A 14 -6.437 -2.621 4.412 1.00 0.00 C ATOM 198 C SER A 14 -5.790 -1.675 3.404 1.00 0.00 C ATOM 199 O SER A 14 -6.049 -1.770 2.199 1.00 0.00 O ATOM 200 CB SER A 14 -5.805 -4.012 4.261 1.00 0.00 C ATOM 201 OG SER A 14 -6.458 -4.981 5.068 1.00 0.00 O ATOM 0 H SER A 14 -8.186 -2.440 3.266 1.00 0.00 H new ATOM 0 HA SER A 14 -6.264 -2.249 5.422 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.850 -4.320 3.216 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.751 -3.963 4.534 1.00 0.00 H new ATOM 0 HG SER A 14 -6.029 -5.853 4.944 1.00 0.00 H new ATOM 207 N PHE A 15 -4.930 -0.788 3.900 1.00 0.00 N ATOM 208 CA PHE A 15 -4.145 0.096 3.038 1.00 0.00 C ATOM 209 C PHE A 15 -3.296 -0.751 2.096 1.00 0.00 C ATOM 210 O PHE A 15 -3.096 -0.406 0.935 1.00 0.00 O ATOM 211 CB PHE A 15 -3.255 1.015 3.891 1.00 0.00 C ATOM 212 CG PHE A 15 -2.380 1.954 3.092 1.00 0.00 C ATOM 213 CD1 PHE A 15 -2.915 2.722 2.067 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.024 2.070 3.371 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.118 3.585 1.340 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.224 2.931 2.646 1.00 0.00 C ATOM 217 CZ PHE A 15 -0.771 3.690 1.629 1.00 0.00 C ATOM 0 H PHE A 15 -4.758 -0.661 4.897 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.814 0.724 2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.890 1.604 4.552 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.620 0.398 4.526 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.967 2.644 1.835 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.590 1.480 4.165 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.548 4.177 0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.829 3.011 2.874 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.147 4.364 1.061 1.00 0.00 H new ATOM 227 N GLU A 16 -2.820 -1.872 2.630 1.00 0.00 N ATOM 228 CA GLU A 16 -2.087 -2.883 1.875 1.00 0.00 C ATOM 229 C GLU A 16 -2.779 -3.197 0.551 1.00 0.00 C ATOM 230 O GLU A 16 -2.181 -3.072 -0.516 1.00 0.00 O ATOM 231 CB GLU A 16 -1.993 -4.160 2.720 1.00 0.00 C ATOM 232 CG GLU A 16 -1.268 -5.318 2.046 1.00 0.00 C ATOM 233 CD GLU A 16 -1.497 -6.632 2.775 1.00 0.00 C ATOM 234 OE1 GLU A 16 -0.899 -6.836 3.851 1.00 0.00 O ATOM 235 OE2 GLU A 16 -2.294 -7.460 2.285 1.00 0.00 O ATOM 0 H GLU A 16 -2.935 -2.107 3.616 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.092 -2.499 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.483 -3.924 3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.001 -4.482 2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.611 -5.410 1.015 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.200 -5.105 2.009 1.00 0.00 H new ATOM 242 N ARG A 17 -4.049 -3.590 0.632 1.00 0.00 N ATOM 243 CA ARG A 17 -4.787 -4.023 -0.550 1.00 0.00 C ATOM 244 C ARG A 17 -4.970 -2.867 -1.526 1.00 0.00 C ATOM 245 O ARG A 17 -4.782 -3.031 -2.725 1.00 0.00 O ATOM 246 CB ARG A 17 -6.155 -4.608 -0.173 1.00 0.00 C ATOM 247 CG ARG A 17 -6.840 -5.306 -1.345 1.00 0.00 C ATOM 248 CD ARG A 17 -8.231 -5.820 -0.992 1.00 0.00 C ATOM 249 NE ARG A 17 -8.788 -6.632 -2.078 1.00 0.00 N ATOM 250 CZ ARG A 17 -9.436 -6.139 -3.138 1.00 0.00 C ATOM 251 NH1 ARG A 17 -9.667 -4.833 -3.242 1.00 0.00 N ATOM 252 NH2 ARG A 17 -9.855 -6.952 -4.097 1.00 0.00 N ATOM 0 H ARG A 17 -4.585 -3.617 1.499 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.200 -4.805 -1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.029 -5.318 0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.798 -3.809 0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.915 -4.612 -2.182 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.222 -6.140 -1.677 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.181 -6.414 -0.079 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.892 -4.978 -0.789 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.673 -7.644 -2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.349 -4.199 -2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.162 -4.466 -4.055 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.683 -7.955 -4.027 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.349 -6.575 -4.905 1.00 0.00 H new ATOM 266 N LEU A 18 -5.327 -1.699 -0.999 1.00 0.00 N ATOM 267 CA LEU A 18 -5.525 -0.506 -1.825 1.00 0.00 C ATOM 268 C LEU A 18 -4.215 -0.114 -2.511 1.00 0.00 C ATOM 269 O LEU A 18 -4.205 0.355 -3.649 1.00 0.00 O ATOM 270 CB LEU A 18 -6.064 0.648 -0.952 1.00 0.00 C ATOM 271 CG LEU A 18 -6.300 2.001 -1.667 1.00 0.00 C ATOM 272 CD1 LEU A 18 -7.400 2.795 -0.968 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.017 2.836 -1.718 1.00 0.00 C ATOM 0 H LEU A 18 -5.486 -1.551 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.258 -0.722 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.006 0.328 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.364 0.812 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.610 1.780 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.550 3.742 -1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.327 2.222 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.109 2.988 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.217 3.779 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.673 3.036 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.247 2.287 -2.261 1.00 0.00 H new ATOM 285 N LEU A 19 -3.117 -0.331 -1.803 1.00 0.00 N ATOM 286 CA LEU A 19 -1.790 0.043 -2.275 1.00 0.00 C ATOM 287 C LEU A 19 -1.255 -0.994 -3.269 1.00 0.00 C ATOM 288 O LEU A 19 -0.459 -0.671 -4.154 1.00 0.00 O ATOM 289 CB LEU A 19 -0.854 0.197 -1.064 1.00 0.00 C ATOM 290 CG LEU A 19 0.573 0.673 -1.362 1.00 0.00 C ATOM 291 CD1 LEU A 19 0.562 1.967 -2.177 1.00 0.00 C ATOM 292 CD2 LEU A 19 1.349 0.867 -0.061 1.00 0.00 C ATOM 0 H LEU A 19 -3.120 -0.772 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.844 0.995 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.310 0.900 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.794 -0.764 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 19 1.070 -0.094 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.587 2.282 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.047 1.797 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.045 2.746 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.360 1.205 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.846 1.613 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.395 -0.078 0.480 1.00 0.00 H new ATOM 304 N GLN A 20 -1.700 -2.238 -3.119 1.00 0.00 N ATOM 305 CA GLN A 20 -1.332 -3.309 -4.046 1.00 0.00 C ATOM 306 C GLN A 20 -2.231 -3.284 -5.288 1.00 0.00 C ATOM 307 O GLN A 20 -1.789 -3.615 -6.391 1.00 0.00 O ATOM 308 CB GLN A 20 -1.430 -4.679 -3.353 1.00 0.00 C ATOM 309 CG GLN A 20 -0.255 -4.997 -2.428 1.00 0.00 C ATOM 310 CD GLN A 20 1.041 -5.251 -3.187 1.00 0.00 C ATOM 311 OE1 GLN A 20 1.026 -5.733 -4.322 1.00 0.00 O ATOM 312 NE2 GLN A 20 2.169 -4.946 -2.563 1.00 0.00 N ATOM 0 H GLN A 20 -2.318 -2.532 -2.363 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.301 -3.146 -4.359 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.354 -4.717 -2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.499 -5.455 -4.115 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.109 -4.168 -1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.498 -5.874 -1.828 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.141 -4.549 -1.624 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.066 -5.108 -3.022 1.00 0.00 H new ATOM 321 N ASP A 21 -3.483 -2.870 -5.102 1.00 0.00 N ATOM 322 CA ASP A 21 -4.479 -2.883 -6.178 1.00 0.00 C ATOM 323 C ASP A 21 -4.263 -1.701 -7.129 1.00 0.00 C ATOM 324 O ASP A 21 -4.221 -0.549 -6.692 1.00 0.00 O ATOM 325 CB ASP A 21 -5.902 -2.832 -5.593 1.00 0.00 C ATOM 326 CG ASP A 21 -6.984 -3.032 -6.648 1.00 0.00 C ATOM 327 OD1 ASP A 21 -7.244 -2.100 -7.435 1.00 0.00 O ATOM 328 OD2 ASP A 21 -7.593 -4.124 -6.690 1.00 0.00 O ATOM 0 H ASP A 21 -3.836 -2.519 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.360 -3.809 -6.740 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.002 -3.601 -4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.053 -1.871 -5.102 1.00 0.00 H new ATOM 333 N PRO A 22 -4.129 -1.970 -8.446 1.00 0.00 N ATOM 334 CA PRO A 22 -3.881 -0.925 -9.451 1.00 0.00 C ATOM 335 C PRO A 22 -4.990 0.131 -9.496 1.00 0.00 C ATOM 336 O PRO A 22 -4.715 1.325 -9.622 1.00 0.00 O ATOM 337 CB PRO A 22 -3.820 -1.702 -10.780 1.00 0.00 C ATOM 338 CG PRO A 22 -3.529 -3.112 -10.389 1.00 0.00 C ATOM 339 CD PRO A 22 -4.199 -3.312 -9.057 1.00 0.00 C ATOM 0 HA PRO A 22 -2.973 -0.365 -9.229 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.762 -1.629 -11.323 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.043 -1.305 -11.434 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.915 -3.811 -11.130 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.455 -3.285 -10.317 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.229 -3.651 -9.170 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.682 -4.058 -8.453 1.00 0.00 H new ATOM 347 N LEU A 23 -6.239 -0.316 -9.381 1.00 0.00 N ATOM 348 CA LEU A 23 -7.393 0.579 -9.467 1.00 0.00 C ATOM 349 C LEU A 23 -7.443 1.462 -8.217 1.00 0.00 C ATOM 350 O LEU A 23 -7.667 2.674 -8.300 1.00 0.00 O ATOM 351 CB LEU A 23 -8.690 -0.249 -9.618 1.00 0.00 C ATOM 352 CG LEU A 23 -9.879 0.446 -10.316 1.00 0.00 C ATOM 353 CD1 LEU A 23 -11.014 -0.549 -10.548 1.00 0.00 C ATOM 354 CD2 LEU A 23 -10.384 1.643 -9.513 1.00 0.00 C ATOM 0 H LEU A 23 -6.479 -1.295 -9.228 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.300 1.222 -10.342 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.452 -1.156 -10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -9.013 -0.560 -8.624 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.525 0.816 -11.278 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.845 -0.044 -11.041 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.660 -1.365 -11.178 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.349 -0.949 -9.591 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.221 2.106 -10.037 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.712 1.309 -8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.580 2.370 -9.400 1.00 0.00 H new ATOM 366 N GLY A 24 -7.205 0.838 -7.064 1.00 0.00 N ATOM 367 CA GLY A 24 -7.169 1.562 -5.806 1.00 0.00 C ATOM 368 C GLY A 24 -6.085 2.619 -5.793 1.00 0.00 C ATOM 369 O GLY A 24 -6.339 3.787 -5.481 1.00 0.00 O ATOM 0 H GLY A 24 -7.035 -0.164 -6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.136 2.032 -5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.002 0.861 -4.988 1.00 0.00 H new ATOM 373 N LEU A 25 -4.874 2.206 -6.154 1.00 0.00 N ATOM 374 CA LEU A 25 -3.728 3.107 -6.202 1.00 0.00 C ATOM 375 C LEU A 25 -3.951 4.189 -7.264 1.00 0.00 C ATOM 376 O LEU A 25 -3.432 5.296 -7.143 1.00 0.00 O ATOM 377 CB LEU A 25 -2.435 2.315 -6.494 1.00 0.00 C ATOM 378 CG LEU A 25 -1.190 2.735 -5.684 1.00 0.00 C ATOM 379 CD1 LEU A 25 0.025 1.908 -6.094 1.00 0.00 C ATOM 380 CD2 LEU A 25 -0.894 4.226 -5.837 1.00 0.00 C ATOM 0 H LEU A 25 -4.660 1.245 -6.420 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.621 3.592 -5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.628 1.259 -6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.204 2.412 -7.555 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.406 2.545 -4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.891 2.220 -5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.175 0.852 -5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.227 2.060 -7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.011 4.483 -5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.713 4.455 -6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.746 4.805 -5.481 1.00 0.00 H new ATOM 392 N ALA A 26 -4.727 3.866 -8.299 1.00 0.00 N ATOM 393 CA ALA A 26 -5.028 4.823 -9.367 1.00 0.00 C ATOM 394 C ALA A 26 -5.769 6.041 -8.811 1.00 0.00 C ATOM 395 O ALA A 26 -5.364 7.187 -9.032 1.00 0.00 O ATOM 396 CB ALA A 26 -5.843 4.159 -10.472 1.00 0.00 C ATOM 0 H ALA A 26 -5.159 2.950 -8.422 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.084 5.163 -9.794 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.056 4.887 -11.255 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.276 3.328 -10.893 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.780 3.786 -10.059 1.00 0.00 H new ATOM 402 N TYR A 27 -6.851 5.785 -8.084 1.00 0.00 N ATOM 403 CA TYR A 27 -7.617 6.853 -7.446 1.00 0.00 C ATOM 404 C TYR A 27 -6.778 7.535 -6.366 1.00 0.00 C ATOM 405 O TYR A 27 -6.766 8.765 -6.252 1.00 0.00 O ATOM 406 CB TYR A 27 -8.915 6.301 -6.835 1.00 0.00 C ATOM 407 CG TYR A 27 -10.081 6.201 -7.805 1.00 0.00 C ATOM 408 CD1 TYR A 27 -10.105 5.243 -8.814 1.00 0.00 C ATOM 409 CD2 TYR A 27 -11.163 7.072 -7.703 1.00 0.00 C ATOM 410 CE1 TYR A 27 -11.173 5.157 -9.689 1.00 0.00 C ATOM 411 CE2 TYR A 27 -12.232 6.988 -8.572 1.00 0.00 C ATOM 412 CZ TYR A 27 -12.233 6.032 -9.562 1.00 0.00 C ATOM 413 OH TYR A 27 -13.304 5.949 -10.429 1.00 0.00 O ATOM 0 H TYR A 27 -7.219 4.848 -7.921 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.878 7.588 -8.208 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.715 5.311 -6.425 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.208 6.938 -6.001 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.278 4.556 -8.915 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.166 7.826 -6.930 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.177 4.409 -10.468 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.064 7.670 -8.475 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.720 6.832 -10.521 1.00 0.00 H new ATOM 423 N PHE A 28 -6.063 6.722 -5.589 1.00 0.00 N ATOM 424 CA PHE A 28 -5.248 7.217 -4.482 1.00 0.00 C ATOM 425 C PHE A 28 -4.176 8.186 -4.983 1.00 0.00 C ATOM 426 O PHE A 28 -4.021 9.281 -4.443 1.00 0.00 O ATOM 427 CB PHE A 28 -4.599 6.038 -3.738 1.00 0.00 C ATOM 428 CG PHE A 28 -3.821 6.438 -2.507 1.00 0.00 C ATOM 429 CD1 PHE A 28 -4.477 6.710 -1.314 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.437 6.538 -2.543 1.00 0.00 C ATOM 431 CE1 PHE A 28 -3.767 7.071 -0.184 1.00 0.00 C ATOM 432 CE2 PHE A 28 -1.725 6.900 -1.416 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.390 7.166 -0.235 1.00 0.00 C ATOM 0 H PHE A 28 -6.033 5.709 -5.708 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.896 7.758 -3.792 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.378 5.332 -3.449 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.932 5.514 -4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.554 6.639 -1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.911 6.330 -3.463 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.289 7.279 0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.648 6.975 -1.458 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.834 7.448 0.647 1.00 0.00 H new ATOM 443 N THR A 29 -3.461 7.790 -6.032 1.00 0.00 N ATOM 444 CA THR A 29 -2.361 8.590 -6.560 1.00 0.00 C ATOM 445 C THR A 29 -2.888 9.880 -7.190 1.00 0.00 C ATOM 446 O THR A 29 -2.186 10.894 -7.221 1.00 0.00 O ATOM 447 CB THR A 29 -1.510 7.796 -7.590 1.00 0.00 C ATOM 448 OG1 THR A 29 -0.274 8.479 -7.852 1.00 0.00 O ATOM 449 CG2 THR A 29 -2.259 7.598 -8.905 1.00 0.00 C ATOM 0 H THR A 29 -3.625 6.917 -6.534 1.00 0.00 H new ATOM 0 HA THR A 29 -1.713 8.844 -5.721 1.00 0.00 H new ATOM 0 HB THR A 29 -1.307 6.818 -7.155 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.252 7.966 -8.501 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.632 7.039 -9.600 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.179 7.044 -8.720 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.501 8.570 -9.336 1.00 0.00 H new ATOM 457 N GLU A 30 -4.124 9.839 -7.690 1.00 0.00 N ATOM 458 CA GLU A 30 -4.770 11.030 -8.230 1.00 0.00 C ATOM 459 C GLU A 30 -4.988 12.035 -7.094 1.00 0.00 C ATOM 460 O GLU A 30 -4.557 13.192 -7.170 1.00 0.00 O ATOM 461 CB GLU A 30 -6.115 10.659 -8.891 1.00 0.00 C ATOM 462 CG GLU A 30 -6.577 11.624 -9.987 1.00 0.00 C ATOM 463 CD GLU A 30 -6.635 13.079 -9.539 1.00 0.00 C ATOM 464 OE1 GLU A 30 -7.587 13.457 -8.825 1.00 0.00 O ATOM 465 OE2 GLU A 30 -5.713 13.849 -9.881 1.00 0.00 O ATOM 0 H GLU A 30 -4.694 8.994 -7.731 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.133 11.478 -8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.031 9.659 -9.318 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.883 10.613 -8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.902 11.542 -10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.565 11.320 -10.333 1.00 0.00 H new ATOM 472 N PHE A 31 -5.636 11.570 -6.028 1.00 0.00 N ATOM 473 CA PHE A 31 -5.927 12.409 -4.869 1.00 0.00 C ATOM 474 C PHE A 31 -4.635 12.833 -4.170 1.00 0.00 C ATOM 475 O PHE A 31 -4.560 13.909 -3.577 1.00 0.00 O ATOM 476 CB PHE A 31 -6.844 11.665 -3.888 1.00 0.00 C ATOM 477 CG PHE A 31 -7.314 12.519 -2.735 1.00 0.00 C ATOM 478 CD1 PHE A 31 -8.198 13.567 -2.949 1.00 0.00 C ATOM 479 CD2 PHE A 31 -6.868 12.281 -1.442 1.00 0.00 C ATOM 480 CE1 PHE A 31 -8.626 14.358 -1.901 1.00 0.00 C ATOM 481 CE2 PHE A 31 -7.295 13.068 -0.391 1.00 0.00 C ATOM 482 CZ PHE A 31 -8.173 14.108 -0.621 1.00 0.00 C ATOM 0 H PHE A 31 -5.971 10.610 -5.944 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.440 13.306 -5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.713 11.289 -4.429 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.314 10.798 -3.495 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.556 13.767 -3.948 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.179 11.471 -1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.314 15.171 -2.082 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.942 12.870 0.610 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.505 14.726 0.200 1.00 0.00 H new ATOM 492 N LEU A 32 -3.617 11.987 -4.272 1.00 0.00 N ATOM 493 CA LEU A 32 -2.317 12.244 -3.653 1.00 0.00 C ATOM 494 C LEU A 32 -1.658 13.476 -4.282 1.00 0.00 C ATOM 495 O LEU A 32 -0.747 14.076 -3.705 1.00 0.00 O ATOM 496 CB LEU A 32 -1.420 11.005 -3.814 1.00 0.00 C ATOM 497 CG LEU A 32 -0.250 10.877 -2.828 1.00 0.00 C ATOM 498 CD1 LEU A 32 -0.744 10.926 -1.386 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.511 9.578 -3.083 1.00 0.00 C ATOM 0 H LEU A 32 -3.666 11.106 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.458 12.445 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.044 10.117 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.015 11.005 -4.826 1.00 0.00 H new ATOM 0 HG LEU A 32 0.423 11.720 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.104 10.833 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.250 11.875 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.440 10.105 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.339 9.497 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.162 8.730 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.900 9.578 -4.101 1.00 0.00 H new ATOM 511 N LYS A 33 -2.139 13.857 -5.470 1.00 0.00 N ATOM 512 CA LYS A 33 -1.619 15.029 -6.175 1.00 0.00 C ATOM 513 C LYS A 33 -2.275 16.319 -5.673 1.00 0.00 C ATOM 514 O LYS A 33 -1.904 17.410 -6.099 1.00 0.00 O ATOM 515 CB LYS A 33 -1.803 14.881 -7.699 1.00 0.00 C ATOM 516 CG LYS A 33 -1.006 13.721 -8.294 1.00 0.00 C ATOM 517 CD LYS A 33 -1.002 13.710 -9.829 1.00 0.00 C ATOM 518 CE LYS A 33 -2.365 13.370 -10.436 1.00 0.00 C ATOM 519 NZ LYS A 33 -3.288 14.536 -10.468 1.00 0.00 N ATOM 0 H LYS A 33 -2.888 13.369 -5.962 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.552 15.094 -5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.861 14.736 -7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.501 15.808 -8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.022 13.774 -7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.422 12.781 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.684 14.688 -10.191 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.266 12.986 -10.178 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.223 12.997 -11.450 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.823 12.565 -9.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.132 14.326 -9.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.806 15.371 -10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.572 14.727 -11.450 1.00 0.00 H new ATOM 533 N LYS A 34 -3.251 16.193 -4.770 1.00 0.00 N ATOM 534 CA LYS A 34 -3.861 17.364 -4.130 1.00 0.00 C ATOM 535 C LYS A 34 -2.901 17.944 -3.088 1.00 0.00 C ATOM 536 O LYS A 34 -2.464 19.092 -3.196 1.00 0.00 O ATOM 537 CB LYS A 34 -5.204 17.010 -3.456 1.00 0.00 C ATOM 538 CG LYS A 34 -6.451 17.116 -4.347 1.00 0.00 C ATOM 539 CD LYS A 34 -6.535 16.023 -5.418 1.00 0.00 C ATOM 540 CE LYS A 34 -5.902 16.446 -6.740 1.00 0.00 C ATOM 541 NZ LYS A 34 -6.087 15.414 -7.794 1.00 0.00 N ATOM 0 H LYS A 34 -3.635 15.298 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.058 18.103 -4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.139 15.991 -3.075 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.340 17.664 -2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.341 17.067 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.458 18.091 -4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.039 15.124 -5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.580 15.764 -5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.343 17.386 -7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.838 16.628 -6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.096 15.870 -8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.305 14.729 -7.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.989 14.920 -7.641 1.00 0.00 H new ATOM 555 N GLU A 35 -2.580 17.131 -2.082 1.00 0.00 N ATOM 556 CA GLU A 35 -1.662 17.529 -1.013 1.00 0.00 C ATOM 557 C GLU A 35 -0.208 17.468 -1.489 1.00 0.00 C ATOM 558 O GLU A 35 0.685 18.032 -0.854 1.00 0.00 O ATOM 559 CB GLU A 35 -1.858 16.619 0.207 1.00 0.00 C ATOM 560 CG GLU A 35 -1.631 15.139 -0.088 1.00 0.00 C ATOM 561 CD GLU A 35 -2.038 14.241 1.069 1.00 0.00 C ATOM 562 OE1 GLU A 35 -3.238 13.893 1.159 1.00 0.00 O ATOM 563 OE2 GLU A 35 -1.169 13.887 1.895 1.00 0.00 O ATOM 0 H GLU A 35 -2.946 16.184 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.884 18.559 -0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.174 16.932 0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.870 16.753 0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.197 14.859 -0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.578 14.976 -0.316 1.00 0.00 H new ATOM 570 N PHE A 36 0.007 16.774 -2.608 1.00 0.00 N ATOM 571 CA PHE A 36 1.337 16.592 -3.191 1.00 0.00 C ATOM 572 C PHE A 36 2.235 15.804 -2.237 1.00 0.00 C ATOM 573 O PHE A 36 3.076 16.367 -1.535 1.00 0.00 O ATOM 574 CB PHE A 36 1.983 17.941 -3.568 1.00 0.00 C ATOM 575 CG PHE A 36 3.292 17.801 -4.317 1.00 0.00 C ATOM 576 CD1 PHE A 36 3.302 17.509 -5.675 1.00 0.00 C ATOM 577 CD2 PHE A 36 4.512 17.958 -3.665 1.00 0.00 C ATOM 578 CE1 PHE A 36 4.494 17.376 -6.363 1.00 0.00 C ATOM 579 CE2 PHE A 36 5.705 17.825 -4.351 1.00 0.00 C ATOM 580 CZ PHE A 36 5.696 17.534 -5.701 1.00 0.00 C ATOM 0 H PHE A 36 -0.739 16.321 -3.137 1.00 0.00 H new ATOM 0 HA PHE A 36 1.222 16.020 -4.112 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.283 18.510 -4.180 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.154 18.518 -2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.367 17.384 -6.200 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.527 18.187 -2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.485 17.148 -7.419 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.644 17.949 -3.831 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.627 17.430 -6.238 1.00 0.00 H new ATOM 590 N SER A 37 2.007 14.500 -2.187 1.00 0.00 N ATOM 591 CA SER A 37 2.822 13.598 -1.382 1.00 0.00 C ATOM 592 C SER A 37 2.977 12.260 -2.102 1.00 0.00 C ATOM 593 O SER A 37 2.907 11.194 -1.501 1.00 0.00 O ATOM 594 CB SER A 37 2.184 13.420 0.002 1.00 0.00 C ATOM 595 OG SER A 37 0.808 13.108 -0.109 1.00 0.00 O ATOM 0 H SER A 37 1.256 14.038 -2.700 1.00 0.00 H new ATOM 0 HA SER A 37 3.816 14.023 -1.244 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.698 12.626 0.544 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.307 14.334 0.583 1.00 0.00 H new ATOM 0 HG SER A 37 0.353 13.332 0.730 1.00 0.00 H new ATOM 601 N ALA A 38 3.202 12.334 -3.408 1.00 0.00 N ATOM 602 CA ALA A 38 3.368 11.144 -4.238 1.00 0.00 C ATOM 603 C ALA A 38 4.772 10.542 -4.121 1.00 0.00 C ATOM 604 O ALA A 38 5.137 9.664 -4.904 1.00 0.00 O ATOM 605 CB ALA A 38 3.051 11.478 -5.692 1.00 0.00 C ATOM 0 H ALA A 38 3.274 13.213 -3.920 1.00 0.00 H new ATOM 0 HA ALA A 38 2.669 10.391 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.177 10.586 -6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.022 11.829 -5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.727 12.258 -6.042 1.00 0.00 H new ATOM 611 N GLU A 39 5.554 10.982 -3.134 1.00 0.00 N ATOM 612 CA GLU A 39 6.928 10.490 -2.988 1.00 0.00 C ATOM 613 C GLU A 39 6.954 9.185 -2.196 1.00 0.00 C ATOM 614 O GLU A 39 7.701 8.265 -2.529 1.00 0.00 O ATOM 615 CB GLU A 39 7.853 11.534 -2.323 1.00 0.00 C ATOM 616 CG GLU A 39 7.629 11.754 -0.826 1.00 0.00 C ATOM 617 CD GLU A 39 6.276 12.352 -0.495 1.00 0.00 C ATOM 618 OE1 GLU A 39 6.129 13.585 -0.594 1.00 0.00 O ATOM 619 OE2 GLU A 39 5.361 11.588 -0.129 1.00 0.00 O ATOM 0 H GLU A 39 5.268 11.666 -2.434 1.00 0.00 H new ATOM 0 HA GLU A 39 7.308 10.305 -3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.888 11.227 -2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.724 12.487 -2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.732 10.800 -0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.410 12.411 -0.443 1.00 0.00 H new ATOM 626 N ASN A 40 6.118 9.103 -1.163 1.00 0.00 N ATOM 627 CA ASN A 40 6.113 7.951 -0.260 1.00 0.00 C ATOM 628 C ASN A 40 5.693 6.680 -0.995 1.00 0.00 C ATOM 629 O ASN A 40 6.309 5.629 -0.824 1.00 0.00 O ATOM 630 CB ASN A 40 5.200 8.203 0.954 1.00 0.00 C ATOM 631 CG ASN A 40 3.731 8.329 0.590 1.00 0.00 C ATOM 632 OD1 ASN A 40 2.995 7.343 0.568 1.00 0.00 O ATOM 633 ND2 ASN A 40 3.293 9.542 0.305 1.00 0.00 N ATOM 0 H ASN A 40 5.433 9.822 -0.929 1.00 0.00 H new ATOM 0 HA ASN A 40 7.131 7.812 0.105 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.321 7.386 1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.521 9.115 1.457 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.314 9.685 0.056 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.933 10.335 0.334 1.00 0.00 H new ATOM 640 N VAL A 41 4.662 6.785 -1.830 1.00 0.00 N ATOM 641 CA VAL A 41 4.183 5.638 -2.596 1.00 0.00 C ATOM 642 C VAL A 41 5.241 5.176 -3.599 1.00 0.00 C ATOM 643 O VAL A 41 5.479 3.980 -3.748 1.00 0.00 O ATOM 644 CB VAL A 41 2.852 5.942 -3.334 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.729 6.198 -2.332 1.00 0.00 C ATOM 646 CG2 VAL A 41 3.006 7.126 -4.290 1.00 0.00 C ATOM 0 H VAL A 41 4.144 7.649 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 41 3.992 4.838 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 41 2.591 5.067 -3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.804 6.409 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.592 5.316 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.988 7.051 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.057 7.314 -4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.301 8.012 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.770 6.897 -5.033 1.00 0.00 H new ATOM 656 N THR A 42 5.889 6.130 -4.265 1.00 0.00 N ATOM 657 CA THR A 42 6.929 5.816 -5.237 1.00 0.00 C ATOM 658 C THR A 42 8.129 5.174 -4.538 1.00 0.00 C ATOM 659 O THR A 42 8.729 4.223 -5.046 1.00 0.00 O ATOM 660 CB THR A 42 7.374 7.087 -5.993 1.00 0.00 C ATOM 661 OG1 THR A 42 6.217 7.779 -6.482 1.00 0.00 O ATOM 662 CG2 THR A 42 8.295 6.744 -7.162 1.00 0.00 C ATOM 0 H THR A 42 5.710 7.127 -4.148 1.00 0.00 H new ATOM 0 HA THR A 42 6.520 5.110 -5.960 1.00 0.00 H new ATOM 0 HB THR A 42 7.926 7.722 -5.300 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.932 8.446 -5.823 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.590 7.660 -7.673 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.183 6.235 -6.788 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.770 6.092 -7.860 1.00 0.00 H new ATOM 670 N PHE A 43 8.448 5.694 -3.357 1.00 0.00 N ATOM 671 CA PHE A 43 9.515 5.150 -2.524 1.00 0.00 C ATOM 672 C PHE A 43 9.182 3.719 -2.112 1.00 0.00 C ATOM 673 O PHE A 43 10.028 2.827 -2.181 1.00 0.00 O ATOM 674 CB PHE A 43 9.709 6.037 -1.286 1.00 0.00 C ATOM 675 CG PHE A 43 10.681 5.489 -0.269 1.00 0.00 C ATOM 676 CD1 PHE A 43 12.045 5.486 -0.522 1.00 0.00 C ATOM 677 CD2 PHE A 43 10.227 4.974 0.939 1.00 0.00 C ATOM 678 CE1 PHE A 43 12.934 4.984 0.408 1.00 0.00 C ATOM 679 CE2 PHE A 43 11.114 4.471 1.869 1.00 0.00 C ATOM 680 CZ PHE A 43 12.469 4.476 1.604 1.00 0.00 C ATOM 0 H PHE A 43 7.976 6.502 -2.951 1.00 0.00 H new ATOM 0 HA PHE A 43 10.444 5.136 -3.094 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.056 7.019 -1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.742 6.183 -0.804 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.416 5.881 -1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.168 4.967 1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.994 4.989 0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.748 4.073 2.804 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.164 4.083 2.331 1.00 0.00 H new ATOM 690 N TRP A 44 7.935 3.513 -1.700 1.00 0.00 N ATOM 691 CA TRP A 44 7.460 2.201 -1.273 1.00 0.00 C ATOM 692 C TRP A 44 7.554 1.205 -2.431 1.00 0.00 C ATOM 693 O TRP A 44 7.976 0.059 -2.246 1.00 0.00 O ATOM 694 CB TRP A 44 6.017 2.308 -0.760 1.00 0.00 C ATOM 695 CG TRP A 44 5.498 1.050 -0.125 1.00 0.00 C ATOM 696 CD1 TRP A 44 5.640 0.670 1.182 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.750 0.011 -0.765 1.00 0.00 C ATOM 698 NE1 TRP A 44 5.025 -0.541 1.391 1.00 0.00 N ATOM 699 CE2 TRP A 44 4.470 -0.967 0.209 1.00 0.00 C ATOM 700 CE3 TRP A 44 4.290 -0.182 -2.070 1.00 0.00 C ATOM 701 CZ2 TRP A 44 3.749 -2.122 -0.085 1.00 0.00 C ATOM 702 CZ3 TRP A 44 3.576 -1.328 -2.360 1.00 0.00 C ATOM 703 CH2 TRP A 44 3.309 -2.285 -1.372 1.00 0.00 C ATOM 0 H TRP A 44 7.228 4.247 -1.653 1.00 0.00 H new ATOM 0 HA TRP A 44 8.089 1.839 -0.460 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.960 3.119 -0.034 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.366 2.578 -1.592 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.160 1.239 1.939 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.987 -1.042 2.279 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.489 0.551 -2.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.544 -2.862 0.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 3.217 -1.489 -3.366 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.745 -3.169 -1.630 1.00 0.00 H new ATOM 714 N LYS A 45 7.173 1.658 -3.629 1.00 0.00 N ATOM 715 CA LYS A 45 7.315 0.852 -4.843 1.00 0.00 C ATOM 716 C LYS A 45 8.771 0.434 -5.018 1.00 0.00 C ATOM 717 O LYS A 45 9.074 -0.739 -5.235 1.00 0.00 O ATOM 718 CB LYS A 45 6.865 1.637 -6.085 1.00 0.00 C ATOM 719 CG LYS A 45 5.394 2.039 -6.089 1.00 0.00 C ATOM 720 CD LYS A 45 5.079 2.946 -7.278 1.00 0.00 C ATOM 721 CE LYS A 45 3.643 3.452 -7.260 1.00 0.00 C ATOM 722 NZ LYS A 45 3.388 4.404 -8.374 1.00 0.00 N ATOM 0 H LYS A 45 6.764 2.579 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 45 6.682 -0.029 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.473 2.537 -6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.065 1.034 -6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.769 1.147 -6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.151 2.554 -5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.761 3.796 -7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.257 2.400 -8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.957 2.608 -7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.440 3.942 -6.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.401 4.730 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.026 5.220 -8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.558 3.928 -9.283 1.00 0.00 H new ATOM 736 N ALA A 46 9.667 1.414 -4.902 1.00 0.00 N ATOM 737 CA ALA A 46 11.102 1.182 -5.040 1.00 0.00 C ATOM 738 C ALA A 46 11.594 0.202 -3.978 1.00 0.00 C ATOM 739 O ALA A 46 12.489 -0.605 -4.231 1.00 0.00 O ATOM 740 CB ALA A 46 11.861 2.503 -4.946 1.00 0.00 C ATOM 0 H ALA A 46 9.419 2.385 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 46 11.290 0.742 -6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.930 2.317 -5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.530 3.170 -5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.666 2.967 -3.979 1.00 0.00 H new ATOM 746 N CYS A 47 10.990 0.268 -2.794 1.00 0.00 N ATOM 747 CA CYS A 47 11.344 -0.629 -1.700 1.00 0.00 C ATOM 748 C CYS A 47 11.007 -2.075 -2.064 1.00 0.00 C ATOM 749 O CYS A 47 11.870 -2.948 -2.007 1.00 0.00 O ATOM 750 CB CYS A 47 10.620 -0.215 -0.415 1.00 0.00 C ATOM 751 SG CYS A 47 11.037 1.446 0.165 1.00 0.00 S ATOM 0 H CYS A 47 10.252 0.935 -2.569 1.00 0.00 H new ATOM 0 HA CYS A 47 12.418 -0.559 -1.528 1.00 0.00 H new ATOM 0 HB2 CYS A 47 9.544 -0.270 -0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 47 10.857 -0.933 0.370 1.00 0.00 H new ATOM 0 HG CYS A 47 10.781 2.310 -0.772 1.00 0.00 H new ATOM 757 N GLU A 48 9.755 -2.323 -2.459 1.00 0.00 N ATOM 758 CA GLU A 48 9.331 -3.667 -2.860 1.00 0.00 C ATOM 759 C GLU A 48 10.139 -4.131 -4.074 1.00 0.00 C ATOM 760 O GLU A 48 10.503 -5.303 -4.191 1.00 0.00 O ATOM 761 CB GLU A 48 7.823 -3.699 -3.170 1.00 0.00 C ATOM 762 CG GLU A 48 7.322 -5.072 -3.616 1.00 0.00 C ATOM 763 CD GLU A 48 5.817 -5.123 -3.847 1.00 0.00 C ATOM 764 OE1 GLU A 48 5.372 -4.816 -4.973 1.00 0.00 O ATOM 765 OE2 GLU A 48 5.078 -5.500 -2.907 1.00 0.00 O ATOM 0 H GLU A 48 9.022 -1.616 -2.510 1.00 0.00 H new ATOM 0 HA GLU A 48 9.517 -4.349 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.271 -3.390 -2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.605 -2.970 -3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.833 -5.355 -4.536 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.591 -5.811 -2.862 1.00 0.00 H new ATOM 772 N ARG A 49 10.428 -3.187 -4.963 1.00 0.00 N ATOM 773 CA ARG A 49 11.259 -3.442 -6.135 1.00 0.00 C ATOM 774 C ARG A 49 12.655 -3.902 -5.709 1.00 0.00 C ATOM 775 O ARG A 49 13.245 -4.795 -6.322 1.00 0.00 O ATOM 776 CB ARG A 49 11.357 -2.167 -6.989 1.00 0.00 C ATOM 777 CG ARG A 49 12.288 -2.282 -8.192 1.00 0.00 C ATOM 778 CD ARG A 49 11.814 -3.334 -9.188 1.00 0.00 C ATOM 779 NE ARG A 49 12.738 -3.461 -10.309 1.00 0.00 N ATOM 780 CZ ARG A 49 12.516 -4.199 -11.393 1.00 0.00 C ATOM 781 NH1 ARG A 49 11.383 -4.882 -11.527 1.00 0.00 N ATOM 782 NH2 ARG A 49 13.435 -4.245 -12.345 1.00 0.00 N ATOM 0 H ARG A 49 10.094 -2.226 -4.892 1.00 0.00 H new ATOM 0 HA ARG A 49 10.801 -4.234 -6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.360 -1.903 -7.341 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.699 -1.347 -6.357 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.355 -1.315 -8.691 1.00 0.00 H new ATOM 0 HG3 ARG A 49 13.292 -2.534 -7.850 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.716 -4.296 -8.685 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.825 -3.066 -9.559 1.00 0.00 H new ATOM 0 HE ARG A 49 13.618 -2.947 -10.258 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.674 -4.843 -10.794 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.223 -5.445 -12.362 1.00 0.00 H new ATOM 0 HH21 ARG A 49 14.302 -3.718 -12.243 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.276 -4.808 -13.181 1.00 0.00 H new ATOM 796 N PHE A 50 13.162 -3.293 -4.645 1.00 0.00 N ATOM 797 CA PHE A 50 14.486 -3.611 -4.121 1.00 0.00 C ATOM 798 C PHE A 50 14.469 -4.993 -3.459 1.00 0.00 C ATOM 799 O PHE A 50 15.428 -5.761 -3.573 1.00 0.00 O ATOM 800 CB PHE A 50 14.919 -2.527 -3.123 1.00 0.00 C ATOM 801 CG PHE A 50 16.401 -2.497 -2.845 1.00 0.00 C ATOM 802 CD1 PHE A 50 17.283 -1.993 -3.791 1.00 0.00 C ATOM 803 CD2 PHE A 50 16.911 -2.962 -1.643 1.00 0.00 C ATOM 804 CE1 PHE A 50 18.641 -1.955 -3.542 1.00 0.00 C ATOM 805 CE2 PHE A 50 18.269 -2.923 -1.390 1.00 0.00 C ATOM 806 CZ PHE A 50 19.134 -2.420 -2.340 1.00 0.00 C ATOM 0 H PHE A 50 12.671 -2.568 -4.122 1.00 0.00 H new ATOM 0 HA PHE A 50 15.206 -3.636 -4.939 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.613 -1.554 -3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 50 14.388 -2.681 -2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 50 16.903 -1.626 -4.733 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.240 -3.359 -0.896 1.00 0.00 H new ATOM 0 HE1 PHE A 50 19.316 -1.562 -4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 50 18.653 -3.286 -0.448 1.00 0.00 H new ATOM 0 HZ PHE A 50 20.195 -2.390 -2.143 1.00 0.00 H new ATOM 816 N GLN A 51 13.358 -5.303 -2.786 1.00 0.00 N ATOM 817 CA GLN A 51 13.157 -6.618 -2.162 1.00 0.00 C ATOM 818 C GLN A 51 13.194 -7.719 -3.225 1.00 0.00 C ATOM 819 O GLN A 51 13.572 -8.861 -2.951 1.00 0.00 O ATOM 820 CB GLN A 51 11.794 -6.674 -1.446 1.00 0.00 C ATOM 821 CG GLN A 51 11.564 -5.582 -0.403 1.00 0.00 C ATOM 822 CD GLN A 51 12.426 -5.736 0.835 1.00 0.00 C ATOM 823 OE1 GLN A 51 13.522 -5.196 0.915 1.00 0.00 O ATOM 824 NE2 GLN A 51 11.933 -6.481 1.809 1.00 0.00 N ATOM 0 H GLN A 51 12.578 -4.658 -2.658 1.00 0.00 H new ATOM 0 HA GLN A 51 13.957 -6.772 -1.438 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.005 -6.611 -2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.696 -7.645 -0.960 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.763 -4.611 -0.856 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.515 -5.588 -0.108 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.016 -6.915 1.705 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.470 -6.622 2.665 1.00 0.00 H new ATOM 833 N GLN A 52 12.791 -7.350 -4.436 1.00 0.00 N ATOM 834 CA GLN A 52 12.639 -8.286 -5.548 1.00 0.00 C ATOM 835 C GLN A 52 13.992 -8.777 -6.076 1.00 0.00 C ATOM 836 O GLN A 52 14.079 -9.857 -6.667 1.00 0.00 O ATOM 837 CB GLN A 52 11.833 -7.605 -6.663 1.00 0.00 C ATOM 838 CG GLN A 52 11.619 -8.450 -7.914 1.00 0.00 C ATOM 839 CD GLN A 52 10.709 -7.772 -8.929 1.00 0.00 C ATOM 840 OE1 GLN A 52 9.745 -7.001 -8.446 1.00 0.00 O flip ATOM 841 NE2 GLN A 52 10.864 -7.949 -10.137 1.00 0.00 N flip ATOM 0 H GLN A 52 12.559 -6.387 -4.677 1.00 0.00 H new ATOM 0 HA GLN A 52 12.107 -9.167 -5.191 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.859 -7.321 -6.264 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.342 -6.684 -6.948 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.584 -8.657 -8.378 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.189 -9.410 -7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.617 -8.550 -10.472 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.239 -7.495 -10.803 1.00 0.00 H new ATOM 850 N ILE A 53 15.044 -7.990 -5.858 1.00 0.00 N ATOM 851 CA ILE A 53 16.376 -8.333 -6.354 1.00 0.00 C ATOM 852 C ILE A 53 16.903 -9.596 -5.652 1.00 0.00 C ATOM 853 O ILE A 53 16.908 -9.669 -4.421 1.00 0.00 O ATOM 854 CB ILE A 53 17.371 -7.157 -6.155 1.00 0.00 C ATOM 855 CG1 ILE A 53 16.831 -5.885 -6.843 1.00 0.00 C ATOM 856 CG2 ILE A 53 18.758 -7.518 -6.698 1.00 0.00 C ATOM 857 CD1 ILE A 53 17.713 -4.663 -6.672 1.00 0.00 C ATOM 0 H ILE A 53 15.000 -7.111 -5.342 1.00 0.00 H new ATOM 0 HA ILE A 53 16.292 -8.530 -7.423 1.00 0.00 H new ATOM 0 HB ILE A 53 17.469 -6.963 -5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.709 -6.085 -7.908 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.841 -5.663 -6.445 1.00 0.00 H new ATOM 0 HG21 ILE A 53 19.437 -6.679 -6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 53 19.139 -8.393 -6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 53 18.686 -7.740 -7.763 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.262 -3.814 -7.185 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.815 -4.433 -5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.697 -4.862 -7.096 1.00 0.00 H new ATOM 869 N PRO A 54 17.365 -10.605 -6.429 1.00 0.00 N ATOM 870 CA PRO A 54 17.775 -11.919 -5.889 1.00 0.00 C ATOM 871 C PRO A 54 19.083 -11.887 -5.083 1.00 0.00 C ATOM 872 O PRO A 54 19.680 -12.936 -4.836 1.00 0.00 O ATOM 873 CB PRO A 54 17.942 -12.777 -7.153 1.00 0.00 C ATOM 874 CG PRO A 54 18.286 -11.801 -8.224 1.00 0.00 C ATOM 875 CD PRO A 54 17.504 -10.555 -7.902 1.00 0.00 C ATOM 0 HA PRO A 54 17.042 -12.296 -5.176 1.00 0.00 H new ATOM 0 HB2 PRO A 54 18.729 -13.521 -7.027 1.00 0.00 H new ATOM 0 HB3 PRO A 54 17.026 -13.319 -7.389 1.00 0.00 H new ATOM 0 HG2 PRO A 54 19.357 -11.598 -8.241 1.00 0.00 H new ATOM 0 HG3 PRO A 54 18.019 -12.188 -9.208 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.030 -9.657 -8.225 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.533 -10.552 -8.397 1.00 0.00 H new ATOM 883 N ALA A 55 19.535 -10.686 -4.703 1.00 0.00 N ATOM 884 CA ALA A 55 20.697 -10.505 -3.811 1.00 0.00 C ATOM 885 C ALA A 55 22.040 -10.771 -4.502 1.00 0.00 C ATOM 886 O ALA A 55 23.009 -10.042 -4.276 1.00 0.00 O ATOM 887 CB ALA A 55 20.569 -11.379 -2.564 1.00 0.00 C ATOM 0 H ALA A 55 19.109 -9.809 -5.003 1.00 0.00 H new ATOM 0 HA ALA A 55 20.691 -9.454 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 55 21.437 -11.228 -1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 55 19.664 -11.107 -2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 55 20.514 -12.427 -2.858 1.00 0.00 H new ATOM 893 N SER A 56 22.094 -11.812 -5.330 1.00 0.00 N ATOM 894 CA SER A 56 23.335 -12.242 -5.969 1.00 0.00 C ATOM 895 C SER A 56 23.985 -11.107 -6.770 1.00 0.00 C ATOM 896 O SER A 56 25.211 -11.041 -6.886 1.00 0.00 O ATOM 897 CB SER A 56 23.063 -13.452 -6.875 1.00 0.00 C ATOM 898 OG SER A 56 24.268 -14.027 -7.356 1.00 0.00 O ATOM 0 H SER A 56 21.282 -12.379 -5.576 1.00 0.00 H new ATOM 0 HA SER A 56 24.036 -12.529 -5.185 1.00 0.00 H new ATOM 0 HB2 SER A 56 22.497 -14.202 -6.322 1.00 0.00 H new ATOM 0 HB3 SER A 56 22.444 -13.144 -7.718 1.00 0.00 H new ATOM 0 HG SER A 56 24.059 -14.795 -7.928 1.00 0.00 H new ATOM 904 N ASP A 57 23.165 -10.213 -7.316 1.00 0.00 N ATOM 905 CA ASP A 57 23.675 -9.095 -8.106 1.00 0.00 C ATOM 906 C ASP A 57 23.837 -7.864 -7.217 1.00 0.00 C ATOM 907 O ASP A 57 22.910 -7.063 -7.067 1.00 0.00 O ATOM 908 CB ASP A 57 22.740 -8.787 -9.287 1.00 0.00 C ATOM 909 CG ASP A 57 23.459 -8.081 -10.432 1.00 0.00 C ATOM 910 OD1 ASP A 57 23.928 -6.941 -10.244 1.00 0.00 O ATOM 911 OD2 ASP A 57 23.555 -8.675 -11.532 1.00 0.00 O ATOM 0 H ASP A 57 22.149 -10.240 -7.227 1.00 0.00 H new ATOM 0 HA ASP A 57 24.648 -9.371 -8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 57 22.305 -9.717 -9.654 1.00 0.00 H new ATOM 0 HB3 ASP A 57 21.916 -8.164 -8.941 1.00 0.00 H new ATOM 916 N THR A 58 25.007 -7.745 -6.600 1.00 0.00 N ATOM 917 CA THR A 58 25.293 -6.649 -5.679 1.00 0.00 C ATOM 918 C THR A 58 25.362 -5.314 -6.421 1.00 0.00 C ATOM 919 O THR A 58 25.045 -4.262 -5.860 1.00 0.00 O ATOM 920 CB THR A 58 26.619 -6.901 -4.924 1.00 0.00 C ATOM 921 OG1 THR A 58 26.598 -8.212 -4.337 1.00 0.00 O ATOM 922 CG2 THR A 58 26.849 -5.859 -3.832 1.00 0.00 C ATOM 0 H THR A 58 25.780 -8.400 -6.722 1.00 0.00 H new ATOM 0 HA THR A 58 24.479 -6.602 -4.956 1.00 0.00 H new ATOM 0 HB THR A 58 27.435 -6.825 -5.643 1.00 0.00 H new ATOM 0 HG1 THR A 58 27.440 -8.371 -3.861 1.00 0.00 H new ATOM 0 HG21 THR A 58 27.790 -6.067 -3.323 1.00 0.00 H new ATOM 0 HG22 THR A 58 26.891 -4.866 -4.280 1.00 0.00 H new ATOM 0 HG23 THR A 58 26.031 -5.899 -3.113 1.00 0.00 H new ATOM 930 N GLN A 59 25.752 -5.370 -7.692 1.00 0.00 N ATOM 931 CA GLN A 59 25.889 -4.168 -8.507 1.00 0.00 C ATOM 932 C GLN A 59 24.521 -3.525 -8.728 1.00 0.00 C ATOM 933 O GLN A 59 24.357 -2.317 -8.549 1.00 0.00 O ATOM 934 CB GLN A 59 26.553 -4.500 -9.850 1.00 0.00 C ATOM 935 CG GLN A 59 27.885 -5.233 -9.715 1.00 0.00 C ATOM 936 CD GLN A 59 28.896 -4.484 -8.861 1.00 0.00 C ATOM 937 OE1 GLN A 59 28.957 -4.667 -7.645 1.00 0.00 O ATOM 938 NE2 GLN A 59 29.703 -3.645 -9.491 1.00 0.00 N ATOM 0 H GLN A 59 25.979 -6.237 -8.180 1.00 0.00 H new ATOM 0 HA GLN A 59 26.526 -3.459 -7.979 1.00 0.00 H new ATOM 0 HB2 GLN A 59 25.871 -5.112 -10.440 1.00 0.00 H new ATOM 0 HB3 GLN A 59 26.713 -3.575 -10.404 1.00 0.00 H new ATOM 0 HG2 GLN A 59 27.709 -6.217 -9.280 1.00 0.00 H new ATOM 0 HG3 GLN A 59 28.306 -5.395 -10.707 1.00 0.00 H new ATOM 0 HE21 GLN A 59 29.622 -3.520 -10.500 1.00 0.00 H new ATOM 0 HE22 GLN A 59 30.406 -3.123 -8.967 1.00 0.00 H new ATOM 947 N GLN A 60 23.541 -4.348 -9.100 1.00 0.00 N ATOM 948 CA GLN A 60 22.165 -3.886 -9.284 1.00 0.00 C ATOM 949 C GLN A 60 21.646 -3.264 -7.989 1.00 0.00 C ATOM 950 O GLN A 60 21.004 -2.213 -8.005 1.00 0.00 O ATOM 951 CB GLN A 60 21.260 -5.055 -9.707 1.00 0.00 C ATOM 952 CG GLN A 60 19.787 -4.682 -9.881 1.00 0.00 C ATOM 953 CD GLN A 60 19.520 -3.787 -11.085 1.00 0.00 C ATOM 954 OE1 GLN A 60 20.371 -3.000 -11.504 1.00 0.00 O ATOM 955 NE2 GLN A 60 18.328 -3.903 -11.647 1.00 0.00 N ATOM 0 H GLN A 60 23.675 -5.343 -9.281 1.00 0.00 H new ATOM 0 HA GLN A 60 22.151 -3.132 -10.071 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.632 -5.465 -10.646 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.336 -5.846 -8.961 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.200 -5.595 -9.981 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.440 -4.177 -8.980 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.650 -4.566 -11.272 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.087 -3.330 -12.456 1.00 0.00 H new ATOM 964 N LEU A 61 21.949 -3.922 -6.871 1.00 0.00 N ATOM 965 CA LEU A 61 21.566 -3.429 -5.550 1.00 0.00 C ATOM 966 C LEU A 61 22.111 -2.021 -5.324 1.00 0.00 C ATOM 967 O LEU A 61 21.383 -1.118 -4.917 1.00 0.00 O ATOM 968 CB LEU A 61 22.082 -4.379 -4.457 1.00 0.00 C ATOM 969 CG LEU A 61 21.401 -5.757 -4.402 1.00 0.00 C ATOM 970 CD1 LEU A 61 22.151 -6.693 -3.459 1.00 0.00 C ATOM 971 CD2 LEU A 61 19.945 -5.614 -3.965 1.00 0.00 C ATOM 0 H LEU A 61 22.462 -4.803 -6.855 1.00 0.00 H new ATOM 0 HA LEU A 61 20.478 -3.391 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 61 23.152 -4.527 -4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.958 -3.893 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 61 21.423 -6.190 -5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 61 21.652 -7.662 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 61 23.175 -6.820 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 61 22.163 -6.266 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.477 -6.598 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.905 -5.159 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 61 19.412 -4.983 -4.676 1.00 0.00 H new ATOM 983 N ALA A 62 23.397 -1.842 -5.610 1.00 0.00 N ATOM 984 CA ALA A 62 24.063 -0.556 -5.416 1.00 0.00 C ATOM 985 C ALA A 62 23.459 0.516 -6.320 1.00 0.00 C ATOM 986 O ALA A 62 23.163 1.629 -5.874 1.00 0.00 O ATOM 987 CB ALA A 62 25.560 -0.691 -5.677 1.00 0.00 C ATOM 0 H ALA A 62 24.003 -2.575 -5.979 1.00 0.00 H new ATOM 0 HA ALA A 62 23.913 -0.248 -4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 62 26.044 0.275 -5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.985 -1.420 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 62 25.722 -1.024 -6.702 1.00 0.00 H new ATOM 993 N GLN A 63 23.266 0.167 -7.588 1.00 0.00 N ATOM 994 CA GLN A 63 22.756 1.107 -8.581 1.00 0.00 C ATOM 995 C GLN A 63 21.327 1.537 -8.252 1.00 0.00 C ATOM 996 O GLN A 63 20.977 2.714 -8.389 1.00 0.00 O ATOM 997 CB GLN A 63 22.810 0.489 -9.986 1.00 0.00 C ATOM 998 CG GLN A 63 24.222 0.162 -10.468 1.00 0.00 C ATOM 999 CD GLN A 63 25.142 1.372 -10.465 1.00 0.00 C ATOM 1000 OE1 GLN A 63 25.828 1.644 -9.479 1.00 0.00 O ATOM 1001 NE2 GLN A 63 25.152 2.112 -11.563 1.00 0.00 N ATOM 0 H GLN A 63 23.456 -0.766 -7.954 1.00 0.00 H new ATOM 0 HA GLN A 63 23.392 1.992 -8.559 1.00 0.00 H new ATOM 0 HB2 GLN A 63 22.214 -0.424 -9.993 1.00 0.00 H new ATOM 0 HB3 GLN A 63 22.347 1.178 -10.692 1.00 0.00 H new ATOM 0 HG2 GLN A 63 24.648 -0.614 -9.831 1.00 0.00 H new ATOM 0 HG3 GLN A 63 24.171 -0.247 -11.477 1.00 0.00 H new ATOM 0 HE21 GLN A 63 24.569 1.852 -12.358 1.00 0.00 H new ATOM 0 HE22 GLN A 63 25.743 2.942 -11.613 1.00 0.00 H new ATOM 1010 N GLU A 64 20.507 0.583 -7.818 1.00 0.00 N ATOM 1011 CA GLU A 64 19.110 0.858 -7.501 1.00 0.00 C ATOM 1012 C GLU A 64 19.009 1.646 -6.196 1.00 0.00 C ATOM 1013 O GLU A 64 18.263 2.622 -6.103 1.00 0.00 O ATOM 1014 CB GLU A 64 18.307 -0.450 -7.409 1.00 0.00 C ATOM 1015 CG GLU A 64 16.793 -0.244 -7.433 1.00 0.00 C ATOM 1016 CD GLU A 64 16.313 0.406 -8.727 1.00 0.00 C ATOM 1017 OE1 GLU A 64 16.092 -0.323 -9.719 1.00 0.00 O ATOM 1018 OE2 GLU A 64 16.169 1.650 -8.762 1.00 0.00 O ATOM 0 H GLU A 64 20.787 -0.388 -7.678 1.00 0.00 H new ATOM 0 HA GLU A 64 18.685 1.461 -8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 64 18.590 -1.099 -8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 64 18.580 -0.970 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.296 -1.206 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.501 0.378 -6.587 1.00 0.00 H new ATOM 1025 N ALA A 65 19.786 1.231 -5.195 1.00 0.00 N ATOM 1026 CA ALA A 65 19.833 1.931 -3.911 1.00 0.00 C ATOM 1027 C ALA A 65 20.247 3.387 -4.118 1.00 0.00 C ATOM 1028 O ALA A 65 19.766 4.287 -3.432 1.00 0.00 O ATOM 1029 CB ALA A 65 20.792 1.230 -2.956 1.00 0.00 C ATOM 0 H ALA A 65 20.392 0.412 -5.249 1.00 0.00 H new ATOM 0 HA ALA A 65 18.837 1.914 -3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 65 20.815 1.764 -2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.456 0.207 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.792 1.217 -3.389 1.00 0.00 H new ATOM 1035 N ARG A 66 21.141 3.596 -5.079 1.00 0.00 N ATOM 1036 CA ARG A 66 21.575 4.933 -5.478 1.00 0.00 C ATOM 1037 C ARG A 66 20.383 5.736 -6.002 1.00 0.00 C ATOM 1038 O ARG A 66 20.203 6.904 -5.645 1.00 0.00 O ATOM 1039 CB ARG A 66 22.689 4.796 -6.542 1.00 0.00 C ATOM 1040 CG ARG A 66 23.195 6.101 -7.177 1.00 0.00 C ATOM 1041 CD ARG A 66 22.250 6.641 -8.254 1.00 0.00 C ATOM 1042 NE ARG A 66 21.758 5.585 -9.147 1.00 0.00 N ATOM 1043 CZ ARG A 66 20.846 5.777 -10.107 1.00 0.00 C ATOM 1044 NH1 ARG A 66 20.372 6.994 -10.346 1.00 0.00 N ATOM 1045 NH2 ARG A 66 20.414 4.748 -10.828 1.00 0.00 N ATOM 0 H ARG A 66 21.586 2.844 -5.604 1.00 0.00 H new ATOM 0 HA ARG A 66 21.977 5.474 -4.622 1.00 0.00 H new ATOM 0 HB2 ARG A 66 23.538 4.288 -6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 66 22.322 4.149 -7.339 1.00 0.00 H new ATOM 0 HG2 ARG A 66 23.320 6.854 -6.399 1.00 0.00 H new ATOM 0 HG3 ARG A 66 24.178 5.929 -7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 66 21.403 7.133 -7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 66 22.769 7.398 -8.842 1.00 0.00 H new ATOM 0 HE ARG A 66 22.135 4.645 -9.028 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.703 7.787 -9.797 1.00 0.00 H new ATOM 0 HH12 ARG A 66 19.677 7.136 -11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 66 20.778 3.812 -10.650 1.00 0.00 H new ATOM 0 HH22 ARG A 66 19.719 4.894 -11.560 1.00 0.00 H new ATOM 1059 N ASN A 67 19.574 5.095 -6.844 1.00 0.00 N ATOM 1060 CA ASN A 67 18.391 5.731 -7.432 1.00 0.00 C ATOM 1061 C ASN A 67 17.428 6.162 -6.332 1.00 0.00 C ATOM 1062 O ASN A 67 16.930 7.291 -6.323 1.00 0.00 O ATOM 1063 CB ASN A 67 17.693 4.755 -8.391 1.00 0.00 C ATOM 1064 CG ASN A 67 16.445 5.336 -9.042 1.00 0.00 C ATOM 1065 OD1 ASN A 67 16.369 6.535 -9.321 1.00 0.00 O ATOM 1066 ND2 ASN A 67 15.455 4.489 -9.282 1.00 0.00 N ATOM 0 H ASN A 67 19.716 4.128 -7.137 1.00 0.00 H new ATOM 0 HA ASN A 67 18.704 6.613 -7.991 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.395 4.458 -9.170 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.422 3.852 -7.845 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.592 4.822 -9.712 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.556 3.504 -9.037 1.00 0.00 H new ATOM 1073 N ILE A 68 17.185 5.250 -5.397 1.00 0.00 N ATOM 1074 CA ILE A 68 16.321 5.517 -4.254 1.00 0.00 C ATOM 1075 C ILE A 68 16.922 6.616 -3.377 1.00 0.00 C ATOM 1076 O ILE A 68 16.215 7.503 -2.888 1.00 0.00 O ATOM 1077 CB ILE A 68 16.121 4.235 -3.400 1.00 0.00 C ATOM 1078 CG1 ILE A 68 15.584 3.085 -4.272 1.00 0.00 C ATOM 1079 CG2 ILE A 68 15.177 4.508 -2.229 1.00 0.00 C ATOM 1080 CD1 ILE A 68 15.453 1.765 -3.536 1.00 0.00 C ATOM 0 H ILE A 68 17.579 4.309 -5.410 1.00 0.00 H new ATOM 0 HA ILE A 68 15.354 5.844 -4.637 1.00 0.00 H new ATOM 0 HB ILE A 68 17.089 3.938 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.608 3.367 -4.668 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.248 2.949 -5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.050 3.597 -1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.598 5.290 -1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.209 4.832 -2.610 1.00 0.00 H new ATOM 0 HD11 ILE A 68 15.069 1.005 -4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 68 16.430 1.458 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.766 1.882 -2.698 1.00 0.00 H new ATOM 1092 N TYR A 69 18.241 6.559 -3.203 1.00 0.00 N ATOM 1093 CA TYR A 69 18.949 7.486 -2.328 1.00 0.00 C ATOM 1094 C TYR A 69 18.795 8.928 -2.807 1.00 0.00 C ATOM 1095 O TYR A 69 18.215 9.765 -2.120 1.00 0.00 O ATOM 1096 CB TYR A 69 20.444 7.132 -2.241 1.00 0.00 C ATOM 1097 CG TYR A 69 21.205 7.995 -1.244 1.00 0.00 C ATOM 1098 CD1 TYR A 69 21.307 7.631 0.096 1.00 0.00 C ATOM 1099 CD2 TYR A 69 21.802 9.187 -1.642 1.00 0.00 C ATOM 1100 CE1 TYR A 69 21.978 8.430 1.005 1.00 0.00 C ATOM 1101 CE2 TYR A 69 22.477 9.988 -0.743 1.00 0.00 C ATOM 1102 CZ TYR A 69 22.561 9.607 0.582 1.00 0.00 C ATOM 1103 OH TYR A 69 23.219 10.412 1.488 1.00 0.00 O ATOM 0 H TYR A 69 18.843 5.875 -3.661 1.00 0.00 H new ATOM 0 HA TYR A 69 18.504 7.395 -1.337 1.00 0.00 H new ATOM 0 HB2 TYR A 69 20.547 6.084 -1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.895 7.242 -3.227 1.00 0.00 H new ATOM 0 HD1 TYR A 69 20.855 6.709 0.432 1.00 0.00 H new ATOM 0 HD2 TYR A 69 21.736 9.492 -2.676 1.00 0.00 H new ATOM 0 HE1 TYR A 69 22.045 8.134 2.041 1.00 0.00 H new ATOM 0 HE2 TYR A 69 22.937 10.907 -1.074 1.00 0.00 H new ATOM 0 HH TYR A 69 23.573 11.201 1.028 1.00 0.00 H new ATOM 1113 N GLN A 70 19.285 9.199 -4.008 1.00 0.00 N ATOM 1114 CA GLN A 70 19.444 10.572 -4.491 1.00 0.00 C ATOM 1115 C GLN A 70 18.118 11.230 -4.885 1.00 0.00 C ATOM 1116 O GLN A 70 18.116 12.330 -5.442 1.00 0.00 O ATOM 1117 CB GLN A 70 20.431 10.598 -5.666 1.00 0.00 C ATOM 1118 CG GLN A 70 21.865 10.275 -5.256 1.00 0.00 C ATOM 1119 CD GLN A 70 22.806 10.153 -6.442 1.00 0.00 C ATOM 1120 OE1 GLN A 70 22.614 10.796 -7.477 1.00 0.00 O ATOM 1121 NE2 GLN A 70 23.832 9.330 -6.302 1.00 0.00 N ATOM 0 H GLN A 70 19.582 8.485 -4.673 1.00 0.00 H new ATOM 0 HA GLN A 70 19.840 11.159 -3.663 1.00 0.00 H new ATOM 0 HB2 GLN A 70 20.106 9.882 -6.421 1.00 0.00 H new ATOM 0 HB3 GLN A 70 20.406 11.584 -6.131 1.00 0.00 H new ATOM 0 HG2 GLN A 70 22.231 11.054 -4.587 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.875 9.342 -4.693 1.00 0.00 H new ATOM 0 HE21 GLN A 70 23.958 8.815 -5.430 1.00 0.00 H new ATOM 0 HE22 GLN A 70 24.498 9.210 -7.066 1.00 0.00 H new ATOM 1130 N GLU A 71 16.993 10.585 -4.579 1.00 0.00 N ATOM 1131 CA GLU A 71 15.688 11.171 -4.882 1.00 0.00 C ATOM 1132 C GLU A 71 14.752 11.128 -3.673 1.00 0.00 C ATOM 1133 O GLU A 71 13.887 11.990 -3.519 1.00 0.00 O ATOM 1134 CB GLU A 71 15.042 10.462 -6.076 1.00 0.00 C ATOM 1135 CG GLU A 71 13.836 11.210 -6.631 1.00 0.00 C ATOM 1136 CD GLU A 71 14.174 12.651 -6.992 1.00 0.00 C ATOM 1137 OE1 GLU A 71 14.693 12.879 -8.108 1.00 0.00 O ATOM 1138 OE2 GLU A 71 13.945 13.553 -6.157 1.00 0.00 O ATOM 0 H GLU A 71 16.957 9.671 -4.128 1.00 0.00 H new ATOM 0 HA GLU A 71 15.854 12.217 -5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 71 15.784 10.343 -6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.734 9.461 -5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.464 10.693 -7.515 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.033 11.200 -5.894 1.00 0.00 H new ATOM 1145 N PHE A 72 14.915 10.135 -2.810 1.00 0.00 N ATOM 1146 CA PHE A 72 14.031 9.990 -1.654 1.00 0.00 C ATOM 1147 C PHE A 72 14.794 10.110 -0.340 1.00 0.00 C ATOM 1148 O PHE A 72 14.216 10.466 0.688 1.00 0.00 O ATOM 1149 CB PHE A 72 13.299 8.643 -1.707 1.00 0.00 C ATOM 1150 CG PHE A 72 12.471 8.460 -2.954 1.00 0.00 C ATOM 1151 CD1 PHE A 72 11.271 9.139 -3.113 1.00 0.00 C ATOM 1152 CD2 PHE A 72 12.897 7.612 -3.968 1.00 0.00 C ATOM 1153 CE1 PHE A 72 10.514 8.976 -4.256 1.00 0.00 C ATOM 1154 CE2 PHE A 72 12.141 7.447 -5.113 1.00 0.00 C ATOM 1155 CZ PHE A 72 10.950 8.130 -5.257 1.00 0.00 C ATOM 0 H PHE A 72 15.642 9.423 -2.883 1.00 0.00 H new ATOM 0 HA PHE A 72 13.304 10.801 -1.697 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.031 7.838 -1.644 1.00 0.00 H new ATOM 0 HB3 PHE A 72 12.652 8.555 -0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 72 10.926 9.802 -2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.828 7.076 -3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.582 9.510 -4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.482 6.784 -5.895 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.359 8.003 -6.152 1.00 0.00 H new ATOM 1165 N LEU A 73 16.094 9.832 -0.375 1.00 0.00 N ATOM 1166 CA LEU A 73 16.894 9.728 0.846 1.00 0.00 C ATOM 1167 C LEU A 73 18.112 10.653 0.804 1.00 0.00 C ATOM 1168 O LEU A 73 19.056 10.474 1.569 1.00 0.00 O ATOM 1169 CB LEU A 73 17.343 8.272 1.032 1.00 0.00 C ATOM 1170 CG LEU A 73 16.205 7.235 1.023 1.00 0.00 C ATOM 1171 CD1 LEU A 73 16.759 5.819 0.921 1.00 0.00 C ATOM 1172 CD2 LEU A 73 15.330 7.384 2.267 1.00 0.00 C ATOM 0 H LEU A 73 16.618 9.674 -1.236 1.00 0.00 H new ATOM 0 HA LEU A 73 16.277 10.039 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 73 18.049 8.021 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.881 8.191 1.977 1.00 0.00 H new ATOM 0 HG LEU A 73 15.587 7.419 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.935 5.105 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.332 5.718 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.407 5.620 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.532 6.642 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 73 15.937 7.233 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.896 8.384 2.289 1.00 0.00 H new ATOM 1184 N SER A 74 18.086 11.640 -0.086 1.00 0.00 N ATOM 1185 CA SER A 74 19.170 12.618 -0.181 1.00 0.00 C ATOM 1186 C SER A 74 18.841 13.875 0.629 1.00 0.00 C ATOM 1187 O SER A 74 19.591 14.853 0.606 1.00 0.00 O ATOM 1188 CB SER A 74 19.423 12.972 -1.650 1.00 0.00 C ATOM 1189 OG SER A 74 18.211 13.295 -2.308 1.00 0.00 O ATOM 0 H SER A 74 17.328 11.786 -0.752 1.00 0.00 H new ATOM 0 HA SER A 74 20.076 12.179 0.237 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.111 13.815 -1.712 1.00 0.00 H new ATOM 0 HB3 SER A 74 19.902 12.132 -2.153 1.00 0.00 H new ATOM 0 HG SER A 74 18.396 13.519 -3.244 1.00 0.00 H new ATOM 1195 N SER A 75 17.714 13.823 1.351 1.00 0.00 N ATOM 1196 CA SER A 75 17.238 14.933 2.184 1.00 0.00 C ATOM 1197 C SER A 75 16.739 16.106 1.328 1.00 0.00 C ATOM 1198 O SER A 75 15.545 16.401 1.308 1.00 0.00 O ATOM 1199 CB SER A 75 18.332 15.397 3.162 1.00 0.00 C ATOM 1200 OG SER A 75 18.775 14.327 3.986 1.00 0.00 O ATOM 0 H SER A 75 17.105 13.005 1.373 1.00 0.00 H new ATOM 0 HA SER A 75 16.393 14.566 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 75 19.176 15.801 2.602 1.00 0.00 H new ATOM 0 HB3 SER A 75 17.947 16.204 3.786 1.00 0.00 H new ATOM 0 HG SER A 75 19.626 14.569 4.407 1.00 0.00 H new ATOM 1206 N GLN A 76 17.647 16.749 0.598 1.00 0.00 N ATOM 1207 CA GLN A 76 17.311 17.927 -0.206 1.00 0.00 C ATOM 1208 C GLN A 76 16.962 17.519 -1.637 1.00 0.00 C ATOM 1209 O GLN A 76 17.322 18.197 -2.604 1.00 0.00 O ATOM 1210 CB GLN A 76 18.485 18.914 -0.197 1.00 0.00 C ATOM 1211 CG GLN A 76 18.888 19.364 1.203 1.00 0.00 C ATOM 1212 CD GLN A 76 19.991 20.406 1.194 1.00 0.00 C ATOM 1213 OE1 GLN A 76 20.828 20.442 0.290 1.00 0.00 O ATOM 1214 NE2 GLN A 76 20.006 21.259 2.204 1.00 0.00 N ATOM 0 H GLN A 76 18.628 16.474 0.545 1.00 0.00 H new ATOM 0 HA GLN A 76 16.438 18.414 0.229 1.00 0.00 H new ATOM 0 HB2 GLN A 76 19.344 18.450 -0.683 1.00 0.00 H new ATOM 0 HB3 GLN A 76 18.218 19.789 -0.789 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.015 19.771 1.714 1.00 0.00 H new ATOM 0 HG3 GLN A 76 19.218 18.498 1.777 1.00 0.00 H new ATOM 0 HE21 GLN A 76 19.296 21.198 2.934 1.00 0.00 H new ATOM 0 HE22 GLN A 76 20.727 21.978 2.253 1.00 0.00 H new ATOM 1223 N ALA A 77 16.241 16.412 -1.753 1.00 0.00 N ATOM 1224 CA ALA A 77 15.833 15.873 -3.049 1.00 0.00 C ATOM 1225 C ALA A 77 14.668 16.666 -3.642 1.00 0.00 C ATOM 1226 O ALA A 77 14.201 17.642 -3.048 1.00 0.00 O ATOM 1227 CB ALA A 77 15.452 14.410 -2.895 1.00 0.00 C ATOM 0 H ALA A 77 15.922 15.862 -0.956 1.00 0.00 H new ATOM 0 HA ALA A 77 16.674 15.959 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.148 14.009 -3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.309 13.848 -2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.626 14.322 -2.190 1.00 0.00 H new ATOM 1233 N LEU A 78 14.195 16.232 -4.811 1.00 0.00 N ATOM 1234 CA LEU A 78 13.076 16.885 -5.488 1.00 0.00 C ATOM 1235 C LEU A 78 11.783 16.576 -4.739 1.00 0.00 C ATOM 1236 O LEU A 78 10.949 17.459 -4.516 1.00 0.00 O ATOM 1237 CB LEU A 78 12.963 16.415 -6.952 1.00 0.00 C ATOM 1238 CG LEU A 78 14.077 16.884 -7.913 1.00 0.00 C ATOM 1239 CD1 LEU A 78 15.467 16.506 -7.402 1.00 0.00 C ATOM 1240 CD2 LEU A 78 13.849 16.297 -9.302 1.00 0.00 C ATOM 0 H LEU A 78 14.573 15.427 -5.310 1.00 0.00 H new ATOM 0 HA LEU A 78 13.251 17.961 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.942 15.325 -6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 78 12.006 16.755 -7.347 1.00 0.00 H new ATOM 0 HG LEU A 78 14.032 17.972 -7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 78 16.221 16.854 -8.108 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.636 16.971 -6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 78 15.536 15.423 -7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.639 16.633 -9.973 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.861 15.209 -9.244 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.883 16.629 -9.683 1.00 0.00 H new ATOM 1252 N SER A 79 11.627 15.314 -4.355 1.00 0.00 N ATOM 1253 CA SER A 79 10.503 14.876 -3.534 1.00 0.00 C ATOM 1254 C SER A 79 10.962 13.770 -2.576 1.00 0.00 C ATOM 1255 O SER A 79 10.773 12.581 -2.840 1.00 0.00 O ATOM 1256 CB SER A 79 9.343 14.391 -4.419 1.00 0.00 C ATOM 1257 OG SER A 79 8.928 15.409 -5.317 1.00 0.00 O ATOM 0 H SER A 79 12.275 14.566 -4.603 1.00 0.00 H new ATOM 0 HA SER A 79 10.142 15.720 -2.946 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.653 13.510 -4.981 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.504 14.090 -3.792 1.00 0.00 H new ATOM 0 HG SER A 79 8.191 15.077 -5.870 1.00 0.00 H new ATOM 1263 N PRO A 80 11.612 14.157 -1.461 1.00 0.00 N ATOM 1264 CA PRO A 80 12.143 13.208 -0.484 1.00 0.00 C ATOM 1265 C PRO A 80 11.083 12.735 0.511 1.00 0.00 C ATOM 1266 O PRO A 80 10.126 13.458 0.814 1.00 0.00 O ATOM 1267 CB PRO A 80 13.225 14.029 0.221 1.00 0.00 C ATOM 1268 CG PRO A 80 12.700 15.427 0.200 1.00 0.00 C ATOM 1269 CD PRO A 80 11.883 15.557 -1.066 1.00 0.00 C ATOM 0 HA PRO A 80 12.508 12.292 -0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 80 13.387 13.680 1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.181 13.955 -0.297 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.087 15.625 1.080 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.517 16.149 0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.959 16.108 -0.890 1.00 0.00 H new ATOM 0 HD3 PRO A 80 12.431 16.092 -1.842 1.00 0.00 H new ATOM 1277 N VAL A 81 11.263 11.521 1.018 1.00 0.00 N ATOM 1278 CA VAL A 81 10.358 10.950 2.011 1.00 0.00 C ATOM 1279 C VAL A 81 10.848 11.260 3.424 1.00 0.00 C ATOM 1280 O VAL A 81 12.053 11.400 3.657 1.00 0.00 O ATOM 1281 CB VAL A 81 10.214 9.416 1.833 1.00 0.00 C ATOM 1282 CG1 VAL A 81 9.473 9.091 0.541 1.00 0.00 C ATOM 1283 CG2 VAL A 81 11.581 8.736 1.843 1.00 0.00 C ATOM 0 H VAL A 81 12.034 10.908 0.755 1.00 0.00 H new ATOM 0 HA VAL A 81 9.379 11.406 1.861 1.00 0.00 H new ATOM 0 HB VAL A 81 9.633 9.034 2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.383 8.010 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.479 9.537 0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.027 9.493 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.454 7.661 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.188 9.128 1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.079 8.933 2.793 1.00 0.00 H new ATOM 1293 N ASN A 82 9.912 11.373 4.361 1.00 0.00 N ATOM 1294 CA ASN A 82 10.239 11.698 5.748 1.00 0.00 C ATOM 1295 C ASN A 82 10.315 10.434 6.602 1.00 0.00 C ATOM 1296 O ASN A 82 9.291 9.863 6.980 1.00 0.00 O ATOM 1297 CB ASN A 82 9.202 12.667 6.337 1.00 0.00 C ATOM 1298 CG ASN A 82 9.507 13.050 7.780 1.00 0.00 C ATOM 1299 OD1 ASN A 82 10.668 13.118 8.187 1.00 0.00 O ATOM 1300 ND2 ASN A 82 8.466 13.299 8.563 1.00 0.00 N ATOM 0 H ASN A 82 8.916 11.244 4.185 1.00 0.00 H new ATOM 0 HA ASN A 82 11.216 12.181 5.755 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.166 13.569 5.726 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.214 12.209 6.288 1.00 0.00 H new ATOM 0 HD21 ASN A 82 8.612 13.557 9.539 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.519 13.232 8.189 1.00 0.00 H new ATOM 1307 N ILE A 83 11.536 9.997 6.878 1.00 0.00 N ATOM 1308 CA ILE A 83 11.789 8.872 7.775 1.00 0.00 C ATOM 1309 C ILE A 83 12.795 9.299 8.841 1.00 0.00 C ATOM 1310 O ILE A 83 13.090 10.489 8.972 1.00 0.00 O ATOM 1311 CB ILE A 83 12.318 7.607 7.031 1.00 0.00 C ATOM 1312 CG1 ILE A 83 13.634 7.894 6.275 1.00 0.00 C ATOM 1313 CG2 ILE A 83 11.260 7.056 6.079 1.00 0.00 C ATOM 1314 CD1 ILE A 83 13.466 8.722 5.017 1.00 0.00 C ATOM 0 H ILE A 83 12.382 10.412 6.487 1.00 0.00 H new ATOM 0 HA ILE A 83 10.837 8.596 8.228 1.00 0.00 H new ATOM 0 HB ILE A 83 12.532 6.852 7.787 1.00 0.00 H new ATOM 0 HG12 ILE A 83 14.319 8.411 6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 83 14.101 6.945 6.011 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.651 6.174 5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 83 10.369 6.784 6.644 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.004 7.816 5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.439 8.876 4.550 1.00 0.00 H new ATOM 0 HD12 ILE A 83 12.808 8.199 4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 83 13.030 9.688 5.273 1.00 0.00 H new ATOM 1326 N ASP A 84 13.319 8.339 9.594 1.00 0.00 N ATOM 1327 CA ASP A 84 14.285 8.627 10.653 1.00 0.00 C ATOM 1328 C ASP A 84 15.657 8.948 10.049 1.00 0.00 C ATOM 1329 O ASP A 84 16.618 8.196 10.221 1.00 0.00 O ATOM 1330 CB ASP A 84 14.398 7.436 11.626 1.00 0.00 C ATOM 1331 CG ASP A 84 13.044 6.956 12.133 1.00 0.00 C ATOM 1332 OD1 ASP A 84 12.340 6.246 11.379 1.00 0.00 O ATOM 1333 OD2 ASP A 84 12.674 7.285 13.280 1.00 0.00 O ATOM 0 H ASP A 84 13.091 7.350 9.492 1.00 0.00 H new ATOM 0 HA ASP A 84 13.934 9.496 11.210 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.906 6.612 11.126 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.017 7.724 12.475 1.00 0.00 H new ATOM 1338 N ARG A 85 15.735 10.068 9.328 1.00 0.00 N ATOM 1339 CA ARG A 85 16.978 10.498 8.684 1.00 0.00 C ATOM 1340 C ARG A 85 18.013 10.880 9.734 1.00 0.00 C ATOM 1341 O ARG A 85 19.218 10.797 9.493 1.00 0.00 O ATOM 1342 CB ARG A 85 16.712 11.683 7.741 1.00 0.00 C ATOM 1343 CG ARG A 85 15.921 11.313 6.486 1.00 0.00 C ATOM 1344 CD ARG A 85 16.782 10.559 5.476 1.00 0.00 C ATOM 1345 NE ARG A 85 17.823 11.418 4.896 1.00 0.00 N ATOM 1346 CZ ARG A 85 19.042 11.002 4.541 1.00 0.00 C ATOM 1347 NH1 ARG A 85 19.405 9.739 4.723 1.00 0.00 N ATOM 1348 NH2 ARG A 85 19.898 11.854 3.994 1.00 0.00 N ATOM 0 H ARG A 85 14.947 10.697 9.175 1.00 0.00 H new ATOM 0 HA ARG A 85 17.368 9.668 8.096 1.00 0.00 H new ATOM 0 HB2 ARG A 85 16.168 12.454 8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 85 17.666 12.117 7.442 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.065 10.699 6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.527 12.218 6.024 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.248 9.703 5.963 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.149 10.167 4.680 1.00 0.00 H new ATOM 0 HE ARG A 85 17.599 12.403 4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 85 18.751 9.075 5.138 1.00 0.00 H new ATOM 0 HH12 ARG A 85 20.338 9.432 4.448 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.626 12.826 3.845 1.00 0.00 H new ATOM 0 HH22 ARG A 85 20.829 11.538 3.722 1.00 0.00 H new ATOM 1362 N GLN A 86 17.526 11.284 10.905 1.00 0.00 N ATOM 1363 CA GLN A 86 18.386 11.662 12.026 1.00 0.00 C ATOM 1364 C GLN A 86 19.344 10.525 12.391 1.00 0.00 C ATOM 1365 O GLN A 86 20.444 10.763 12.897 1.00 0.00 O ATOM 1366 CB GLN A 86 17.534 12.018 13.254 1.00 0.00 C ATOM 1367 CG GLN A 86 16.494 13.104 13.006 1.00 0.00 C ATOM 1368 CD GLN A 86 17.100 14.433 12.587 1.00 0.00 C ATOM 1369 OE1 GLN A 86 17.449 15.261 13.429 1.00 0.00 O ATOM 1370 NE2 GLN A 86 17.193 14.662 11.285 1.00 0.00 N ATOM 0 H GLN A 86 16.528 11.359 11.104 1.00 0.00 H new ATOM 0 HA GLN A 86 18.969 12.530 11.720 1.00 0.00 H new ATOM 0 HB2 GLN A 86 17.026 11.118 13.602 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.195 12.342 14.058 1.00 0.00 H new ATOM 0 HG2 GLN A 86 15.805 12.767 12.232 1.00 0.00 H new ATOM 0 HG3 GLN A 86 15.908 13.250 13.913 1.00 0.00 H new ATOM 0 HE21 GLN A 86 16.893 13.950 10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 86 17.565 15.550 10.949 1.00 0.00 H new ATOM 1379 N ALA A 87 18.915 9.295 12.124 1.00 0.00 N ATOM 1380 CA ALA A 87 19.675 8.106 12.494 1.00 0.00 C ATOM 1381 C ALA A 87 19.548 7.032 11.416 1.00 0.00 C ATOM 1382 O ALA A 87 19.505 5.836 11.717 1.00 0.00 O ATOM 1383 CB ALA A 87 19.176 7.579 13.836 1.00 0.00 C ATOM 0 H ALA A 87 18.035 9.095 11.648 1.00 0.00 H new ATOM 0 HA ALA A 87 20.729 8.370 12.584 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.744 6.691 14.112 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.308 8.346 14.600 1.00 0.00 H new ATOM 0 HB3 ALA A 87 18.119 7.324 13.756 1.00 0.00 H new ATOM 1389 N TRP A 88 19.508 7.463 10.159 1.00 0.00 N ATOM 1390 CA TRP A 88 19.294 6.548 9.042 1.00 0.00 C ATOM 1391 C TRP A 88 20.509 5.628 8.824 1.00 0.00 C ATOM 1392 O TRP A 88 21.579 5.845 9.396 1.00 0.00 O ATOM 1393 CB TRP A 88 18.960 7.331 7.757 1.00 0.00 C ATOM 1394 CG TRP A 88 18.538 6.436 6.628 1.00 0.00 C ATOM 1395 CD1 TRP A 88 17.428 5.638 6.592 1.00 0.00 C ATOM 1396 CD2 TRP A 88 19.222 6.225 5.387 1.00 0.00 C ATOM 1397 NE1 TRP A 88 17.397 4.930 5.419 1.00 0.00 N ATOM 1398 CE2 TRP A 88 18.480 5.278 4.660 1.00 0.00 C ATOM 1399 CE3 TRP A 88 20.393 6.740 4.821 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 18.867 4.837 3.403 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 20.774 6.302 3.568 1.00 0.00 C ATOM 1402 CH2 TRP A 88 20.013 5.356 2.871 1.00 0.00 C ATOM 0 H TRP A 88 19.621 8.440 9.888 1.00 0.00 H new ATOM 0 HA TRP A 88 18.444 5.913 9.290 1.00 0.00 H new ATOM 0 HB2 TRP A 88 18.163 8.044 7.968 1.00 0.00 H new ATOM 0 HB3 TRP A 88 19.832 7.909 7.451 1.00 0.00 H new ATOM 0 HD1 TRP A 88 16.685 5.575 7.373 1.00 0.00 H new ATOM 0 HE1 TRP A 88 16.682 4.253 5.155 1.00 0.00 H new ATOM 0 HE3 TRP A 88 20.988 7.467 5.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 18.282 4.108 2.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 21.674 6.696 3.118 1.00 0.00 H new ATOM 0 HH2 TRP A 88 20.338 5.030 1.894 1.00 0.00 H new ATOM 1413 N LEU A 89 20.311 4.601 7.995 1.00 0.00 N ATOM 1414 CA LEU A 89 21.325 3.584 7.700 1.00 0.00 C ATOM 1415 C LEU A 89 22.672 4.210 7.317 1.00 0.00 C ATOM 1416 O LEU A 89 23.716 3.843 7.860 1.00 0.00 O ATOM 1417 CB LEU A 89 20.817 2.693 6.559 1.00 0.00 C ATOM 1418 CG LEU A 89 19.439 2.048 6.797 1.00 0.00 C ATOM 1419 CD1 LEU A 89 18.911 1.407 5.517 1.00 0.00 C ATOM 1420 CD2 LEU A 89 19.509 1.021 7.924 1.00 0.00 C ATOM 0 H LEU A 89 19.431 4.449 7.503 1.00 0.00 H new ATOM 0 HA LEU A 89 21.489 2.992 8.600 1.00 0.00 H new ATOM 0 HB2 LEU A 89 20.769 3.289 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 89 21.546 1.902 6.385 1.00 0.00 H new ATOM 0 HG LEU A 89 18.745 2.834 7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.937 0.958 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 89 18.813 2.168 4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 89 19.606 0.636 5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 89 18.524 0.578 8.075 1.00 0.00 H new ATOM 0 HD22 LEU A 89 20.222 0.240 7.660 1.00 0.00 H new ATOM 0 HD23 LEU A 89 19.831 1.511 8.843 1.00 0.00 H new ATOM 1432 N GLY A 90 22.636 5.138 6.363 1.00 0.00 N ATOM 1433 CA GLY A 90 23.834 5.859 5.960 1.00 0.00 C ATOM 1434 C GLY A 90 24.399 5.373 4.636 1.00 0.00 C ATOM 1435 O GLY A 90 23.789 4.544 3.955 1.00 0.00 O ATOM 0 H GLY A 90 21.791 5.405 5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.604 6.922 5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 90 24.594 5.753 6.734 1.00 0.00 H new ATOM 1439 N GLU A 91 25.579 5.886 4.284 1.00 0.00 N ATOM 1440 CA GLU A 91 26.275 5.523 3.042 1.00 0.00 C ATOM 1441 C GLU A 91 26.584 4.020 2.986 1.00 0.00 C ATOM 1442 O GLU A 91 26.937 3.485 1.932 1.00 0.00 O ATOM 1443 CB GLU A 91 27.579 6.328 2.928 1.00 0.00 C ATOM 1444 CG GLU A 91 28.376 6.058 1.655 1.00 0.00 C ATOM 1445 CD GLU A 91 29.699 6.802 1.621 1.00 0.00 C ATOM 1446 OE1 GLU A 91 30.695 6.286 2.176 1.00 0.00 O ATOM 1447 OE2 GLU A 91 29.753 7.911 1.048 1.00 0.00 O ATOM 0 H GLU A 91 26.083 6.567 4.852 1.00 0.00 H new ATOM 0 HA GLU A 91 25.618 5.760 2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.341 7.391 2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.207 6.104 3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 91 28.564 4.988 1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 91 27.779 6.347 0.790 1.00 0.00 H new ATOM 1454 N GLU A 92 26.421 3.343 4.121 1.00 0.00 N ATOM 1455 CA GLU A 92 26.690 1.915 4.230 1.00 0.00 C ATOM 1456 C GLU A 92 25.852 1.155 3.209 1.00 0.00 C ATOM 1457 O GLU A 92 26.250 0.099 2.712 1.00 0.00 O ATOM 1458 CB GLU A 92 26.368 1.449 5.656 1.00 0.00 C ATOM 1459 CG GLU A 92 26.609 -0.033 5.911 1.00 0.00 C ATOM 1460 CD GLU A 92 26.367 -0.408 7.364 1.00 0.00 C ATOM 1461 OE1 GLU A 92 25.205 -0.685 7.730 1.00 0.00 O ATOM 1462 OE2 GLU A 92 27.338 -0.399 8.154 1.00 0.00 O ATOM 0 H GLU A 92 26.099 3.771 4.989 1.00 0.00 H new ATOM 0 HA GLU A 92 27.742 1.717 4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 92 26.970 2.027 6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 92 25.324 1.676 5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.953 -0.622 5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 92 27.633 -0.286 5.637 1.00 0.00 H new ATOM 1469 N VAL A 93 24.700 1.735 2.881 1.00 0.00 N ATOM 1470 CA VAL A 93 23.795 1.163 1.902 1.00 0.00 C ATOM 1471 C VAL A 93 24.425 1.173 0.509 1.00 0.00 C ATOM 1472 O VAL A 93 24.245 0.247 -0.278 1.00 0.00 O ATOM 1473 CB VAL A 93 22.455 1.941 1.857 1.00 0.00 C ATOM 1474 CG1 VAL A 93 21.497 1.325 0.841 1.00 0.00 C ATOM 1475 CG2 VAL A 93 21.819 1.999 3.243 1.00 0.00 C ATOM 0 H VAL A 93 24.373 2.611 3.288 1.00 0.00 H new ATOM 0 HA VAL A 93 23.600 0.134 2.204 1.00 0.00 H new ATOM 0 HB VAL A 93 22.667 2.961 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 93 20.565 1.890 0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 93 21.950 1.353 -0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 93 21.291 0.291 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 93 20.880 2.549 3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 93 21.627 0.986 3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 93 22.496 2.503 3.933 1.00 0.00 H new ATOM 1485 N LEU A 94 25.169 2.236 0.222 1.00 0.00 N ATOM 1486 CA LEU A 94 25.795 2.416 -1.086 1.00 0.00 C ATOM 1487 C LEU A 94 27.142 1.698 -1.136 1.00 0.00 C ATOM 1488 O LEU A 94 27.658 1.396 -2.213 1.00 0.00 O ATOM 1489 CB LEU A 94 25.988 3.913 -1.396 1.00 0.00 C ATOM 1490 CG LEU A 94 24.701 4.760 -1.506 1.00 0.00 C ATOM 1491 CD1 LEU A 94 23.707 4.123 -2.473 1.00 0.00 C ATOM 1492 CD2 LEU A 94 24.064 4.985 -0.133 1.00 0.00 C ATOM 0 H LEU A 94 25.355 2.991 0.882 1.00 0.00 H new ATOM 0 HA LEU A 94 25.136 1.985 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 94 26.617 4.345 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 94 26.536 4.000 -2.334 1.00 0.00 H new ATOM 0 HG LEU A 94 24.980 5.735 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 94 22.810 4.740 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 94 24.160 4.046 -3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 94 23.440 3.128 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 94 23.160 5.584 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 94 23.809 4.023 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 94 24.769 5.508 0.514 1.00 0.00 H new ATOM 1504 N ALA A 95 27.715 1.455 0.038 1.00 0.00 N ATOM 1505 CA ALA A 95 28.988 0.752 0.150 1.00 0.00 C ATOM 1506 C ALA A 95 28.800 -0.742 -0.095 1.00 0.00 C ATOM 1507 O ALA A 95 29.367 -1.308 -1.034 1.00 0.00 O ATOM 1508 CB ALA A 95 29.606 0.995 1.522 1.00 0.00 C ATOM 0 H ALA A 95 27.314 1.737 0.932 1.00 0.00 H new ATOM 0 HA ALA A 95 29.666 1.140 -0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.556 0.465 1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 95 29.775 2.063 1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 95 28.929 0.632 2.295 1.00 0.00 H new ATOM 1514 N GLU A 96 27.993 -1.373 0.752 1.00 0.00 N ATOM 1515 CA GLU A 96 27.708 -2.799 0.642 1.00 0.00 C ATOM 1516 C GLU A 96 26.204 -3.049 0.803 1.00 0.00 C ATOM 1517 O GLU A 96 25.701 -3.238 1.914 1.00 0.00 O ATOM 1518 CB GLU A 96 28.523 -3.596 1.677 1.00 0.00 C ATOM 1519 CG GLU A 96 28.469 -3.027 3.093 1.00 0.00 C ATOM 1520 CD GLU A 96 29.219 -3.891 4.093 1.00 0.00 C ATOM 1521 OE1 GLU A 96 30.436 -3.682 4.282 1.00 0.00 O ATOM 1522 OE2 GLU A 96 28.596 -4.797 4.686 1.00 0.00 O ATOM 0 H GLU A 96 27.520 -0.913 1.530 1.00 0.00 H new ATOM 0 HA GLU A 96 28.006 -3.144 -0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 96 28.158 -4.623 1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 96 29.563 -3.633 1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 96 28.893 -2.023 3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 96 27.429 -2.934 3.405 1.00 0.00 H new ATOM 1529 N PRO A 97 25.460 -3.013 -0.316 1.00 0.00 N ATOM 1530 CA PRO A 97 24.006 -3.163 -0.306 1.00 0.00 C ATOM 1531 C PRO A 97 23.544 -4.620 -0.298 1.00 0.00 C ATOM 1532 O PRO A 97 24.272 -5.529 -0.699 1.00 0.00 O ATOM 1533 CB PRO A 97 23.594 -2.484 -1.613 1.00 0.00 C ATOM 1534 CG PRO A 97 24.733 -2.754 -2.541 1.00 0.00 C ATOM 1535 CD PRO A 97 25.978 -2.803 -1.685 1.00 0.00 C ATOM 0 HA PRO A 97 23.562 -2.736 0.593 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.661 -2.895 -1.998 1.00 0.00 H new ATOM 0 HB3 PRO A 97 23.438 -1.414 -1.474 1.00 0.00 H new ATOM 0 HG2 PRO A 97 24.588 -3.696 -3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 97 24.812 -1.973 -3.297 1.00 0.00 H new ATOM 0 HD2 PRO A 97 26.641 -3.613 -1.990 1.00 0.00 H new ATOM 0 HD3 PRO A 97 26.550 -1.878 -1.758 1.00 0.00 H new ATOM 1543 N ARG A 98 22.318 -4.814 0.167 1.00 0.00 N ATOM 1544 CA ARG A 98 21.646 -6.105 0.144 1.00 0.00 C ATOM 1545 C ARG A 98 20.149 -5.859 0.005 1.00 0.00 C ATOM 1546 O ARG A 98 19.668 -4.807 0.425 1.00 0.00 O ATOM 1547 CB ARG A 98 21.947 -6.924 1.413 1.00 0.00 C ATOM 1548 CG ARG A 98 21.814 -6.148 2.725 1.00 0.00 C ATOM 1549 CD ARG A 98 23.155 -5.588 3.190 1.00 0.00 C ATOM 1550 NE ARG A 98 24.134 -6.657 3.414 1.00 0.00 N ATOM 1551 CZ ARG A 98 25.432 -6.463 3.663 1.00 0.00 C ATOM 1552 NH1 ARG A 98 25.944 -5.238 3.687 1.00 0.00 N ATOM 1553 NH2 ARG A 98 26.224 -7.507 3.871 1.00 0.00 N ATOM 0 H ARG A 98 21.755 -4.069 0.576 1.00 0.00 H new ATOM 0 HA ARG A 98 22.013 -6.688 -0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 98 21.273 -7.780 1.444 1.00 0.00 H new ATOM 0 HB3 ARG A 98 22.961 -7.318 1.342 1.00 0.00 H new ATOM 0 HG2 ARG A 98 21.105 -5.331 2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 98 21.407 -6.803 3.495 1.00 0.00 H new ATOM 0 HD2 ARG A 98 23.539 -4.892 2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 98 23.015 -5.022 4.111 1.00 0.00 H new ATOM 0 HE ARG A 98 23.799 -7.620 3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 98 25.344 -4.431 3.514 1.00 0.00 H new ATOM 0 HH12 ARG A 98 26.937 -5.104 3.878 1.00 0.00 H new ATOM 0 HH21 ARG A 98 25.841 -8.452 3.840 1.00 0.00 H new ATOM 0 HH22 ARG A 98 27.216 -7.365 4.062 1.00 0.00 H new ATOM 1567 N PRO A 99 19.388 -6.808 -0.584 1.00 0.00 N ATOM 1568 CA PRO A 99 17.954 -6.618 -0.842 1.00 0.00 C ATOM 1569 C PRO A 99 17.194 -6.252 0.429 1.00 0.00 C ATOM 1570 O PRO A 99 16.213 -5.515 0.386 1.00 0.00 O ATOM 1571 CB PRO A 99 17.490 -7.977 -1.397 1.00 0.00 C ATOM 1572 CG PRO A 99 18.571 -8.937 -1.026 1.00 0.00 C ATOM 1573 CD PRO A 99 19.844 -8.137 -1.019 1.00 0.00 C ATOM 0 HA PRO A 99 17.766 -5.796 -1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.534 -8.274 -0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.353 -7.936 -2.478 1.00 0.00 H new ATOM 0 HG2 PRO A 99 18.382 -9.380 -0.048 1.00 0.00 H new ATOM 0 HG3 PRO A 99 18.628 -9.757 -1.742 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.582 -8.556 -0.335 1.00 0.00 H new ATOM 0 HD3 PRO A 99 20.307 -8.104 -2.005 1.00 0.00 H new ATOM 1581 N ASP A 100 17.673 -6.762 1.560 1.00 0.00 N ATOM 1582 CA ASP A 100 17.095 -6.440 2.862 1.00 0.00 C ATOM 1583 C ASP A 100 17.885 -5.301 3.503 1.00 0.00 C ATOM 1584 O ASP A 100 18.916 -5.521 4.142 1.00 0.00 O ATOM 1585 CB ASP A 100 17.087 -7.677 3.773 1.00 0.00 C ATOM 1586 CG ASP A 100 16.590 -7.372 5.179 1.00 0.00 C ATOM 1587 OD1 ASP A 100 15.421 -6.959 5.330 1.00 0.00 O ATOM 1588 OD2 ASP A 100 17.360 -7.567 6.146 1.00 0.00 O ATOM 0 H ASP A 100 18.465 -7.404 1.601 1.00 0.00 H new ATOM 0 HA ASP A 100 16.062 -6.121 2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 100 16.455 -8.446 3.328 1.00 0.00 H new ATOM 0 HB3 ASP A 100 18.095 -8.087 3.830 1.00 0.00 H new ATOM 1593 N MET A 101 17.415 -4.078 3.284 1.00 0.00 N ATOM 1594 CA MET A 101 18.093 -2.879 3.769 1.00 0.00 C ATOM 1595 C MET A 101 17.073 -1.834 4.218 1.00 0.00 C ATOM 1596 O MET A 101 17.074 -1.396 5.370 1.00 0.00 O ATOM 1597 CB MET A 101 18.986 -2.303 2.658 1.00 0.00 C ATOM 1598 CG MET A 101 19.675 -0.995 3.024 1.00 0.00 C ATOM 1599 SD MET A 101 20.802 -1.152 4.424 1.00 0.00 S ATOM 1600 CE MET A 101 22.065 -2.223 3.741 1.00 0.00 C ATOM 0 H MET A 101 16.556 -3.889 2.767 1.00 0.00 H new ATOM 0 HA MET A 101 18.713 -3.146 4.625 1.00 0.00 H new ATOM 0 HB2 MET A 101 19.746 -3.041 2.399 1.00 0.00 H new ATOM 0 HB3 MET A 101 18.380 -2.144 1.766 1.00 0.00 H new ATOM 0 HG2 MET A 101 20.229 -0.629 2.159 1.00 0.00 H new ATOM 0 HG3 MET A 101 18.918 -0.246 3.258 1.00 0.00 H new ATOM 0 HE1 MET A 101 22.928 -2.238 4.407 1.00 0.00 H new ATOM 0 HE2 MET A 101 21.669 -3.233 3.638 1.00 0.00 H new ATOM 0 HE3 MET A 101 22.368 -1.850 2.762 1.00 0.00 H new ATOM 1610 N PHE A 102 16.178 -1.467 3.304 1.00 0.00 N ATOM 1611 CA PHE A 102 15.194 -0.408 3.544 1.00 0.00 C ATOM 1612 C PHE A 102 13.929 -0.962 4.209 1.00 0.00 C ATOM 1613 O PHE A 102 12.866 -0.345 4.127 1.00 0.00 O ATOM 1614 CB PHE A 102 14.811 0.265 2.215 1.00 0.00 C ATOM 1615 CG PHE A 102 15.991 0.765 1.417 1.00 0.00 C ATOM 1616 CD1 PHE A 102 16.610 1.965 1.736 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.480 0.032 0.344 1.00 0.00 C ATOM 1618 CE1 PHE A 102 17.690 2.420 1.003 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.559 0.485 -0.390 1.00 0.00 C ATOM 1620 CZ PHE A 102 18.164 1.679 -0.060 1.00 0.00 C ATOM 0 H PHE A 102 16.112 -1.892 2.379 1.00 0.00 H new ATOM 0 HA PHE A 102 15.649 0.322 4.214 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.250 -0.446 1.608 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.145 1.102 2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 102 16.244 2.550 2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 102 16.011 -0.904 0.080 1.00 0.00 H new ATOM 0 HE1 PHE A 102 18.163 3.356 1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.928 -0.096 -1.222 1.00 0.00 H new ATOM 0 HZ PHE A 102 19.008 2.034 -0.633 1.00 0.00 H new ATOM 1630 N ARG A 103 14.056 -2.109 4.882 1.00 0.00 N ATOM 1631 CA ARG A 103 12.911 -2.797 5.491 1.00 0.00 C ATOM 1632 C ARG A 103 12.073 -1.835 6.339 1.00 0.00 C ATOM 1633 O ARG A 103 10.857 -1.713 6.153 1.00 0.00 O ATOM 1634 CB ARG A 103 13.391 -3.962 6.371 1.00 0.00 C ATOM 1635 CG ARG A 103 12.258 -4.841 6.902 1.00 0.00 C ATOM 1636 CD ARG A 103 12.713 -5.750 8.041 1.00 0.00 C ATOM 1637 NE ARG A 103 13.903 -6.530 7.694 1.00 0.00 N ATOM 1638 CZ ARG A 103 14.374 -7.544 8.422 1.00 0.00 C ATOM 1639 NH1 ARG A 103 13.714 -7.982 9.486 1.00 0.00 N ATOM 1640 NH2 ARG A 103 15.505 -8.135 8.075 1.00 0.00 N ATOM 0 H ARG A 103 14.947 -2.585 5.020 1.00 0.00 H new ATOM 0 HA ARG A 103 12.291 -3.182 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.079 -4.581 5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.953 -3.561 7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.442 -4.207 7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.863 -5.451 6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.923 -5.145 8.923 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.902 -6.429 8.306 1.00 0.00 H new ATOM 0 HE ARG A 103 14.404 -6.282 6.841 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.834 -7.543 9.757 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.086 -8.758 10.033 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.016 -7.815 7.252 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.867 -8.910 8.630 1.00 0.00 H new ATOM 1654 N ALA A 104 12.742 -1.147 7.260 1.00 0.00 N ATOM 1655 CA ALA A 104 12.074 -0.231 8.177 1.00 0.00 C ATOM 1656 C ALA A 104 11.420 0.918 7.420 1.00 0.00 C ATOM 1657 O ALA A 104 10.237 1.190 7.605 1.00 0.00 O ATOM 1658 CB ALA A 104 13.063 0.302 9.208 1.00 0.00 C ATOM 0 H ALA A 104 13.752 -1.208 7.391 1.00 0.00 H new ATOM 0 HA ALA A 104 11.290 -0.781 8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.550 0.984 9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.479 -0.529 9.777 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.868 0.833 8.700 1.00 0.00 H new ATOM 1664 N GLN A 105 12.192 1.572 6.552 1.00 0.00 N ATOM 1665 CA GLN A 105 11.706 2.737 5.807 1.00 0.00 C ATOM 1666 C GLN A 105 10.490 2.373 4.954 1.00 0.00 C ATOM 1667 O GLN A 105 9.553 3.166 4.822 1.00 0.00 O ATOM 1668 CB GLN A 105 12.811 3.330 4.919 1.00 0.00 C ATOM 1669 CG GLN A 105 13.953 3.997 5.684 1.00 0.00 C ATOM 1670 CD GLN A 105 14.849 3.006 6.408 1.00 0.00 C ATOM 1671 OE1 GLN A 105 15.825 2.517 5.844 1.00 0.00 O ATOM 1672 NE2 GLN A 105 14.533 2.710 7.660 1.00 0.00 N ATOM 0 H GLN A 105 13.158 1.316 6.346 1.00 0.00 H new ATOM 0 HA GLN A 105 11.409 3.490 6.537 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.223 2.536 4.296 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.365 4.063 4.247 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.556 4.580 4.988 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.536 4.697 6.409 1.00 0.00 H new ATOM 0 HE21 GLN A 105 13.714 3.137 8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 105 15.108 2.055 8.190 1.00 0.00 H new ATOM 1681 N GLN A 106 10.513 1.168 4.386 1.00 0.00 N ATOM 1682 CA GLN A 106 9.402 0.663 3.583 1.00 0.00 C ATOM 1683 C GLN A 106 8.109 0.704 4.391 1.00 0.00 C ATOM 1684 O GLN A 106 7.121 1.321 3.984 1.00 0.00 O ATOM 1685 CB GLN A 106 9.680 -0.780 3.126 1.00 0.00 C ATOM 1686 CG GLN A 106 8.498 -1.436 2.412 1.00 0.00 C ATOM 1687 CD GLN A 106 8.719 -2.912 2.130 1.00 0.00 C ATOM 1688 OE1 GLN A 106 8.410 -3.766 2.961 1.00 0.00 O ATOM 1689 NE2 GLN A 106 9.239 -3.225 0.953 1.00 0.00 N ATOM 0 H GLN A 106 11.296 0.519 4.469 1.00 0.00 H new ATOM 0 HA GLN A 106 9.297 1.298 2.703 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.542 -0.781 2.459 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.948 -1.382 3.994 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.602 -1.319 3.021 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.314 -0.916 1.472 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.482 -2.488 0.291 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.396 -4.203 0.709 1.00 0.00 H new ATOM 1698 N LEU A 107 8.131 0.058 5.551 1.00 0.00 N ATOM 1699 CA LEU A 107 6.939 -0.047 6.382 1.00 0.00 C ATOM 1700 C LEU A 107 6.705 1.252 7.159 1.00 0.00 C ATOM 1701 O LEU A 107 5.603 1.504 7.639 1.00 0.00 O ATOM 1702 CB LEU A 107 7.051 -1.237 7.344 1.00 0.00 C ATOM 1703 CG LEU A 107 5.718 -1.700 7.955 1.00 0.00 C ATOM 1704 CD1 LEU A 107 4.823 -2.334 6.892 1.00 0.00 C ATOM 1705 CD2 LEU A 107 5.953 -2.664 9.118 1.00 0.00 C ATOM 0 H LEU A 107 8.958 -0.399 5.936 1.00 0.00 H new ATOM 0 HA LEU A 107 6.083 -0.215 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.501 -2.075 6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 107 7.732 -0.970 8.152 1.00 0.00 H new ATOM 0 HG LEU A 107 5.205 -0.822 8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.886 -2.653 7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.615 -1.605 6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.328 -3.197 6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.994 -2.976 9.532 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.496 -3.539 8.761 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.537 -2.165 9.892 1.00 0.00 H new ATOM 1717 N GLN A 108 7.748 2.070 7.271 1.00 0.00 N ATOM 1718 CA GLN A 108 7.654 3.359 7.956 1.00 0.00 C ATOM 1719 C GLN A 108 6.740 4.288 7.159 1.00 0.00 C ATOM 1720 O GLN A 108 5.851 4.938 7.713 1.00 0.00 O ATOM 1721 CB GLN A 108 9.056 3.982 8.119 1.00 0.00 C ATOM 1722 CG GLN A 108 9.137 5.130 9.128 1.00 0.00 C ATOM 1723 CD GLN A 108 8.914 4.685 10.570 1.00 0.00 C ATOM 1724 OE1 GLN A 108 8.153 3.757 10.842 1.00 0.00 O ATOM 1725 NE2 GLN A 108 9.600 5.328 11.503 1.00 0.00 N ATOM 0 H GLN A 108 8.673 1.863 6.895 1.00 0.00 H new ATOM 0 HA GLN A 108 7.233 3.212 8.950 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.752 3.200 8.423 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.391 4.347 7.148 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.115 5.605 9.049 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.394 5.885 8.869 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.222 6.093 11.242 1.00 0.00 H new ATOM 0 HE22 GLN A 108 9.506 5.058 12.482 1.00 0.00 H new ATOM 1734 N ILE A 109 6.959 4.319 5.845 1.00 0.00 N ATOM 1735 CA ILE A 109 6.119 5.090 4.930 1.00 0.00 C ATOM 1736 C ILE A 109 4.713 4.491 4.872 1.00 0.00 C ATOM 1737 O ILE A 109 3.714 5.219 4.866 1.00 0.00 O ATOM 1738 CB ILE A 109 6.763 5.155 3.507 1.00 0.00 C ATOM 1739 CG1 ILE A 109 7.390 6.538 3.258 1.00 0.00 C ATOM 1740 CG2 ILE A 109 5.757 4.819 2.400 1.00 0.00 C ATOM 1741 CD1 ILE A 109 8.384 6.968 4.317 1.00 0.00 C ATOM 0 H ILE A 109 7.718 3.814 5.387 1.00 0.00 H new ATOM 0 HA ILE A 109 6.041 6.111 5.305 1.00 0.00 H new ATOM 0 HB ILE A 109 7.547 4.398 3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.889 6.529 2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.594 7.280 3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.251 4.877 1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.373 3.810 2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.932 5.530 2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.779 7.953 4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.887 7.012 5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.202 6.249 4.361 1.00 0.00 H new ATOM 1753 N PHE A 110 4.650 3.162 4.846 1.00 0.00 N ATOM 1754 CA PHE A 110 3.377 2.449 4.834 1.00 0.00 C ATOM 1755 C PHE A 110 2.535 2.854 6.045 1.00 0.00 C ATOM 1756 O PHE A 110 1.425 3.367 5.900 1.00 0.00 O ATOM 1757 CB PHE A 110 3.619 0.931 4.835 1.00 0.00 C ATOM 1758 CG PHE A 110 2.369 0.103 4.647 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.588 -0.277 5.734 1.00 0.00 C ATOM 1760 CD2 PHE A 110 1.976 -0.299 3.378 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.450 -1.036 5.554 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.837 -1.059 3.198 1.00 0.00 C ATOM 1763 CZ PHE A 110 0.075 -1.428 4.287 1.00 0.00 C ATOM 0 H PHE A 110 5.470 2.556 4.833 1.00 0.00 H new ATOM 0 HA PHE A 110 2.834 2.714 3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.325 0.687 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.089 0.650 5.778 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.876 0.026 6.730 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.568 -0.014 2.521 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.147 -1.323 6.407 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.543 -1.364 2.205 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.815 -2.024 4.147 1.00 0.00 H new ATOM 1773 N ASN A 111 3.095 2.645 7.235 1.00 0.00 N ATOM 1774 CA ASN A 111 2.404 2.941 8.490 1.00 0.00 C ATOM 1775 C ASN A 111 2.074 4.428 8.594 1.00 0.00 C ATOM 1776 O ASN A 111 1.064 4.805 9.194 1.00 0.00 O ATOM 1777 CB ASN A 111 3.257 2.507 9.695 1.00 0.00 C ATOM 1778 CG ASN A 111 3.415 0.997 9.803 1.00 0.00 C ATOM 1779 OD1 ASN A 111 2.521 0.234 9.427 1.00 0.00 O ATOM 1780 ND2 ASN A 111 4.551 0.553 10.319 1.00 0.00 N ATOM 0 H ASN A 111 4.035 2.268 7.357 1.00 0.00 H new ATOM 0 HA ASN A 111 1.471 2.377 8.498 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.243 2.965 9.618 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.801 2.885 10.610 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.709 -0.450 10.416 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.268 1.214 10.619 1.00 0.00 H new ATOM 1787 N LEU A 112 2.921 5.263 7.993 1.00 0.00 N ATOM 1788 CA LEU A 112 2.737 6.714 8.015 1.00 0.00 C ATOM 1789 C LEU A 112 1.370 7.080 7.429 1.00 0.00 C ATOM 1790 O LEU A 112 0.535 7.689 8.103 1.00 0.00 O ATOM 1791 CB LEU A 112 3.877 7.398 7.225 1.00 0.00 C ATOM 1792 CG LEU A 112 4.096 8.910 7.475 1.00 0.00 C ATOM 1793 CD1 LEU A 112 2.947 9.753 6.925 1.00 0.00 C ATOM 1794 CD2 LEU A 112 4.309 9.182 8.964 1.00 0.00 C ATOM 0 H LEU A 112 3.748 4.956 7.481 1.00 0.00 H new ATOM 0 HA LEU A 112 2.771 7.067 9.046 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.807 6.878 7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.686 7.255 6.162 1.00 0.00 H new ATOM 0 HG LEU A 112 4.996 9.205 6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.142 10.807 7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.862 9.595 5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.016 9.459 7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.461 10.250 9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.432 8.855 9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.186 8.636 9.312 1.00 0.00 H new ATOM 1806 N MET A 113 1.139 6.687 6.179 1.00 0.00 N ATOM 1807 CA MET A 113 -0.103 7.029 5.484 1.00 0.00 C ATOM 1808 C MET A 113 -1.231 6.075 5.864 1.00 0.00 C ATOM 1809 O MET A 113 -2.405 6.384 5.651 1.00 0.00 O ATOM 1810 CB MET A 113 0.098 7.017 3.963 1.00 0.00 C ATOM 1811 CG MET A 113 1.137 8.020 3.475 1.00 0.00 C ATOM 1812 SD MET A 113 0.720 9.717 3.928 1.00 0.00 S ATOM 1813 CE MET A 113 2.088 10.620 3.203 1.00 0.00 C ATOM 0 H MET A 113 1.793 6.133 5.626 1.00 0.00 H new ATOM 0 HA MET A 113 -0.382 8.036 5.795 1.00 0.00 H new ATOM 0 HB2 MET A 113 0.398 6.016 3.653 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.855 7.229 3.478 1.00 0.00 H new ATOM 0 HG2 MET A 113 2.110 7.764 3.894 1.00 0.00 H new ATOM 0 HG3 MET A 113 1.227 7.948 2.391 1.00 0.00 H new ATOM 0 HE1 MET A 113 2.275 11.524 3.782 1.00 0.00 H new ATOM 0 HE2 MET A 113 2.981 9.995 3.209 1.00 0.00 H new ATOM 0 HE3 MET A 113 1.842 10.891 2.176 1.00 0.00 H new ATOM 1823 N LYS A 114 -0.871 4.930 6.442 1.00 0.00 N ATOM 1824 CA LYS A 114 -1.838 3.885 6.800 1.00 0.00 C ATOM 1825 C LYS A 114 -2.927 4.415 7.743 1.00 0.00 C ATOM 1826 O LYS A 114 -4.022 3.857 7.820 1.00 0.00 O ATOM 1827 CB LYS A 114 -1.107 2.703 7.453 1.00 0.00 C ATOM 1828 CG LYS A 114 -1.977 1.469 7.679 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.197 0.341 8.354 1.00 0.00 C ATOM 1830 CE LYS A 114 -0.751 0.714 9.765 1.00 0.00 C ATOM 1831 NZ LYS A 114 -1.901 1.021 10.661 1.00 0.00 N ATOM 0 H LYS A 114 0.094 4.698 6.676 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.328 3.554 5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.260 2.425 6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.702 3.027 8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.835 1.737 8.295 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.368 1.120 6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.818 -0.554 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.323 0.095 7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.172 -0.107 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.090 1.579 9.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.568 1.085 11.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.328 1.927 10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.612 0.265 10.585 1.00 0.00 H new ATOM 1845 N PHE A 115 -2.617 5.490 8.462 1.00 0.00 N ATOM 1846 CA PHE A 115 -3.572 6.106 9.386 1.00 0.00 C ATOM 1847 C PHE A 115 -3.709 7.602 9.087 1.00 0.00 C ATOM 1848 O PHE A 115 -4.207 8.376 9.908 1.00 0.00 O ATOM 1849 CB PHE A 115 -3.110 5.870 10.837 1.00 0.00 C ATOM 1850 CG PHE A 115 -4.108 6.294 11.890 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -5.307 5.609 12.042 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -3.847 7.370 12.732 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -6.223 5.989 13.006 1.00 0.00 C ATOM 1854 CE2 PHE A 115 -4.760 7.752 13.696 1.00 0.00 C ATOM 1855 CZ PHE A 115 -5.948 7.061 13.834 1.00 0.00 C ATOM 0 H PHE A 115 -1.710 5.956 8.424 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.552 5.648 9.255 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.892 4.810 10.967 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -2.177 6.410 11.000 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -5.527 4.769 11.399 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.919 7.914 12.631 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -7.152 5.449 13.112 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.545 8.591 14.342 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.661 7.358 14.588 1.00 0.00 H new ATOM 1865 N ASP A 116 -3.303 8.004 7.884 1.00 0.00 N ATOM 1866 CA ASP A 116 -3.317 9.417 7.504 1.00 0.00 C ATOM 1867 C ASP A 116 -3.906 9.606 6.105 1.00 0.00 C ATOM 1868 O ASP A 116 -5.118 9.764 5.959 1.00 0.00 O ATOM 1869 CB ASP A 116 -1.905 10.014 7.587 1.00 0.00 C ATOM 1870 CG ASP A 116 -1.882 11.504 7.279 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -2.273 12.302 8.159 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -1.481 11.883 6.158 1.00 0.00 O ATOM 0 H ASP A 116 -2.961 7.375 7.158 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.956 9.949 8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.502 9.847 8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.252 9.492 6.888 1.00 0.00 H new ATOM 1877 N SER A 117 -3.057 9.560 5.079 1.00 0.00 N ATOM 1878 CA SER A 117 -3.504 9.761 3.702 1.00 0.00 C ATOM 1879 C SER A 117 -4.536 8.696 3.321 1.00 0.00 C ATOM 1880 O SER A 117 -5.543 8.994 2.679 1.00 0.00 O ATOM 1881 CB SER A 117 -2.306 9.733 2.740 1.00 0.00 C ATOM 1882 OG SER A 117 -2.679 10.136 1.432 1.00 0.00 O ATOM 0 H SER A 117 -2.057 9.385 5.176 1.00 0.00 H new ATOM 0 HA SER A 117 -3.977 10.740 3.625 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.522 10.391 3.115 1.00 0.00 H new ATOM 0 HB3 SER A 117 -1.889 8.727 2.706 1.00 0.00 H new ATOM 0 HG SER A 117 -2.640 9.365 0.828 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.290 7.457 3.745 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.245 6.365 3.546 1.00 0.00 C ATOM 1890 C TYR A 118 -6.599 6.710 4.175 1.00 0.00 C ATOM 1891 O TYR A 118 -7.653 6.489 3.574 1.00 0.00 O ATOM 1892 CB TYR A 118 -4.678 5.072 4.153 1.00 0.00 C ATOM 1893 CG TYR A 118 -5.656 3.910 4.235 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.218 3.353 3.089 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.002 3.360 5.466 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.095 2.286 3.173 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -6.872 2.292 5.554 1.00 0.00 C ATOM 1898 CZ TYR A 118 -7.416 1.759 4.408 1.00 0.00 C ATOM 1899 OH TYR A 118 -8.273 0.689 4.497 1.00 0.00 O ATOM 0 H TYR A 118 -3.435 7.183 4.230 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.401 6.218 2.477 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.817 4.760 3.562 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.314 5.290 5.157 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.966 3.760 2.121 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.582 3.777 6.369 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -7.527 1.867 2.276 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -7.125 1.876 6.518 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.387 0.286 3.611 1.00 0.00 H new ATOM 1909 N ALA A 119 -6.553 7.275 5.380 1.00 0.00 N ATOM 1910 CA ALA A 119 -7.767 7.628 6.117 1.00 0.00 C ATOM 1911 C ALA A 119 -8.500 8.792 5.447 1.00 0.00 C ATOM 1912 O ALA A 119 -9.732 8.858 5.464 1.00 0.00 O ATOM 1913 CB ALA A 119 -7.424 7.973 7.562 1.00 0.00 C ATOM 0 H ALA A 119 -5.686 7.499 5.869 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.433 6.765 6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -8.335 8.234 8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -6.954 7.113 8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -6.737 8.819 7.581 1.00 0.00 H new ATOM 1919 N ARG A 120 -7.732 9.705 4.859 1.00 0.00 N ATOM 1920 CA ARG A 120 -8.289 10.866 4.169 1.00 0.00 C ATOM 1921 C ARG A 120 -8.939 10.442 2.851 1.00 0.00 C ATOM 1922 O ARG A 120 -10.084 10.801 2.566 1.00 0.00 O ATOM 1923 CB ARG A 120 -7.179 11.904 3.920 1.00 0.00 C ATOM 1924 CG ARG A 120 -7.618 13.156 3.154 1.00 0.00 C ATOM 1925 CD ARG A 120 -8.747 13.907 3.857 1.00 0.00 C ATOM 1926 NE ARG A 120 -8.907 15.273 3.337 1.00 0.00 N ATOM 1927 CZ ARG A 120 -10.014 15.740 2.748 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -11.034 14.924 2.492 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -10.088 17.021 2.399 1.00 0.00 N ATOM 0 H ARG A 120 -6.713 9.662 4.847 1.00 0.00 H new ATOM 0 HA ARG A 120 -9.058 11.318 4.795 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.768 12.211 4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.372 11.424 3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -6.764 13.822 3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.944 12.870 2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -9.681 13.359 3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -8.544 13.948 4.927 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.117 15.911 3.432 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.974 13.938 2.745 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.876 15.285 2.043 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -9.302 17.645 2.580 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -10.931 17.379 1.950 1.00 0.00 H new ATOM 1943 N PHE A 121 -8.207 9.656 2.069 1.00 0.00 N ATOM 1944 CA PHE A 121 -8.666 9.219 0.753 1.00 0.00 C ATOM 1945 C PHE A 121 -10.030 8.530 0.824 1.00 0.00 C ATOM 1946 O PHE A 121 -10.956 8.909 0.107 1.00 0.00 O ATOM 1947 CB PHE A 121 -7.639 8.277 0.108 1.00 0.00 C ATOM 1948 CG PHE A 121 -8.145 7.630 -1.157 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -8.319 8.376 -2.313 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.467 6.278 -1.183 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -8.802 7.790 -3.466 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -8.947 5.689 -2.335 1.00 0.00 C ATOM 1953 CZ PHE A 121 -9.115 6.444 -3.476 1.00 0.00 C ATOM 0 H PHE A 121 -7.284 9.305 2.326 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.773 10.112 0.137 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -6.731 8.837 -0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.367 7.500 0.823 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.074 9.428 -2.311 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.340 5.682 -0.292 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.935 8.383 -4.359 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -9.191 4.637 -2.343 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.491 5.984 -4.378 1.00 0.00 H new ATOM 1963 N VAL A 122 -10.149 7.527 1.691 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.382 6.739 1.791 1.00 0.00 C ATOM 1965 C VAL A 122 -12.569 7.600 2.239 1.00 0.00 C ATOM 1966 O VAL A 122 -13.726 7.218 2.060 1.00 0.00 O ATOM 1967 CB VAL A 122 -11.220 5.535 2.758 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -10.137 4.579 2.257 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -10.912 6.010 4.178 1.00 0.00 C ATOM 0 H VAL A 122 -9.411 7.239 2.334 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.584 6.357 0.790 1.00 0.00 H new ATOM 0 HB VAL A 122 -12.166 4.994 2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.041 3.743 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.411 4.203 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.186 5.108 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -10.803 5.147 4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -9.985 6.584 4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -11.727 6.638 4.536 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.275 8.761 2.821 1.00 0.00 N ATOM 1980 CA LYS A 123 -13.311 9.690 3.273 1.00 0.00 C ATOM 1981 C LYS A 123 -13.592 10.744 2.195 1.00 0.00 C ATOM 1982 O LYS A 123 -14.599 11.456 2.247 1.00 0.00 O ATOM 1983 CB LYS A 123 -12.873 10.367 4.585 1.00 0.00 C ATOM 1984 CG LYS A 123 -13.944 11.253 5.224 1.00 0.00 C ATOM 1985 CD LYS A 123 -13.439 11.933 6.497 1.00 0.00 C ATOM 1986 CE LYS A 123 -13.066 10.925 7.580 1.00 0.00 C ATOM 1987 NZ LYS A 123 -14.238 10.138 8.047 1.00 0.00 N ATOM 0 H LYS A 123 -11.322 9.083 2.992 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.229 9.132 3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -12.583 9.596 5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -11.987 10.971 4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.261 12.012 4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -14.821 10.650 5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -12.570 12.546 6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -14.208 12.605 6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -12.306 10.246 7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -12.624 11.451 8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -13.966 9.566 8.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -15.007 10.785 8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -14.562 9.511 7.283 1.00 0.00 H new ATOM 2001 N SER A 124 -12.689 10.833 1.220 1.00 0.00 N ATOM 2002 CA SER A 124 -12.805 11.804 0.135 1.00 0.00 C ATOM 2003 C SER A 124 -13.780 11.318 -0.950 1.00 0.00 C ATOM 2004 O SER A 124 -13.921 10.112 -1.177 1.00 0.00 O ATOM 2005 CB SER A 124 -11.418 12.067 -0.463 1.00 0.00 C ATOM 2006 OG SER A 124 -10.536 12.568 0.527 1.00 0.00 O ATOM 0 H SER A 124 -11.862 10.238 1.160 1.00 0.00 H new ATOM 0 HA SER A 124 -13.207 12.733 0.540 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.016 11.145 -0.883 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.498 12.782 -1.282 1.00 0.00 H new ATOM 0 HG SER A 124 -9.977 13.274 0.140 1.00 0.00 H new ATOM 2012 N PRO A 125 -14.450 12.264 -1.649 1.00 0.00 N ATOM 2013 CA PRO A 125 -15.500 11.951 -2.638 1.00 0.00 C ATOM 2014 C PRO A 125 -15.035 11.020 -3.762 1.00 0.00 C ATOM 2015 O PRO A 125 -15.853 10.339 -4.374 1.00 0.00 O ATOM 2016 CB PRO A 125 -15.894 13.331 -3.206 1.00 0.00 C ATOM 2017 CG PRO A 125 -14.776 14.243 -2.829 1.00 0.00 C ATOM 2018 CD PRO A 125 -14.249 13.721 -1.523 1.00 0.00 C ATOM 0 HA PRO A 125 -16.323 11.411 -2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -16.021 13.290 -4.288 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -16.840 13.674 -2.787 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -13.998 14.245 -3.592 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -15.126 15.270 -2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.198 13.974 -1.381 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -14.794 14.133 -0.673 1.00 0.00 H new ATOM 2026 N LEU A 126 -13.730 10.982 -4.029 1.00 0.00 N ATOM 2027 CA LEU A 126 -13.193 10.137 -5.103 1.00 0.00 C ATOM 2028 C LEU A 126 -13.499 8.661 -4.844 1.00 0.00 C ATOM 2029 O LEU A 126 -13.846 7.918 -5.762 1.00 0.00 O ATOM 2030 CB LEU A 126 -11.683 10.353 -5.265 1.00 0.00 C ATOM 2031 CG LEU A 126 -11.277 11.741 -5.788 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -9.761 11.851 -5.918 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -11.953 12.031 -7.128 1.00 0.00 C ATOM 0 H LEU A 126 -13.027 11.521 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 126 -13.682 10.428 -6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.202 10.190 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.294 9.597 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 126 -11.611 12.486 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.499 12.842 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -9.300 11.695 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.400 11.095 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -11.653 13.018 -7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.653 11.278 -7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.035 12.004 -7.003 1.00 0.00 H new ATOM 2045 N TYR A 127 -13.386 8.247 -3.588 1.00 0.00 N ATOM 2046 CA TYR A 127 -13.744 6.887 -3.189 1.00 0.00 C ATOM 2047 C TYR A 127 -15.243 6.685 -3.419 1.00 0.00 C ATOM 2048 O TYR A 127 -15.704 5.651 -3.924 1.00 0.00 O ATOM 2049 CB TYR A 127 -13.388 6.683 -1.706 1.00 0.00 C ATOM 2050 CG TYR A 127 -13.421 5.241 -1.233 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -14.602 4.645 -0.799 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -12.258 4.479 -1.204 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -14.621 3.336 -0.352 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -12.270 3.171 -0.763 1.00 0.00 C ATOM 2055 CZ TYR A 127 -13.452 2.605 -0.337 1.00 0.00 C ATOM 2056 OH TYR A 127 -13.461 1.305 0.113 1.00 0.00 O ATOM 0 H TYR A 127 -13.049 8.834 -2.825 1.00 0.00 H new ATOM 0 HA TYR A 127 -13.192 6.157 -3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -12.391 7.086 -1.528 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -14.080 7.265 -1.098 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -15.519 5.215 -0.812 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -11.328 4.919 -1.533 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -15.546 2.889 -0.017 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -11.357 2.594 -0.752 1.00 0.00 H new ATOM 0 HH TYR A 127 -14.046 1.234 0.896 1.00 0.00 H new ATOM 2066 N ARG A 128 -15.992 7.727 -3.090 1.00 0.00 N ATOM 2067 CA ARG A 128 -17.438 7.713 -3.208 1.00 0.00 C ATOM 2068 C ARG A 128 -17.862 7.928 -4.663 1.00 0.00 C ATOM 2069 O ARG A 128 -19.045 7.890 -4.975 1.00 0.00 O ATOM 2070 CB ARG A 128 -18.036 8.783 -2.285 1.00 0.00 C ATOM 2071 CG ARG A 128 -19.543 8.657 -2.062 1.00 0.00 C ATOM 2072 CD ARG A 128 -19.988 9.484 -0.862 1.00 0.00 C ATOM 2073 NE ARG A 128 -19.252 9.099 0.347 1.00 0.00 N ATOM 2074 CZ ARG A 128 -18.739 9.960 1.229 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -18.943 11.266 1.097 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -18.020 9.515 2.249 1.00 0.00 N ATOM 0 H ARG A 128 -15.612 8.604 -2.734 1.00 0.00 H new ATOM 0 HA ARG A 128 -17.817 6.739 -2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -17.533 8.734 -1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -17.825 9.766 -2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -20.075 8.988 -2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -19.805 7.611 -1.904 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -19.829 10.543 -1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -21.057 9.348 -0.699 1.00 0.00 H new ATOM 0 HE ARG A 128 -19.123 8.103 0.527 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -19.496 11.619 0.316 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -18.547 11.915 1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -17.858 8.514 2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -17.628 10.173 2.923 1.00 0.00 H new ATOM 2090 N GLU A 129 -16.891 8.163 -5.551 1.00 0.00 N ATOM 2091 CA GLU A 129 -17.163 8.201 -6.989 1.00 0.00 C ATOM 2092 C GLU A 129 -17.303 6.775 -7.512 1.00 0.00 C ATOM 2093 O GLU A 129 -17.998 6.520 -8.500 1.00 0.00 O ATOM 2094 CB GLU A 129 -16.045 8.930 -7.754 1.00 0.00 C ATOM 2095 CG GLU A 129 -16.318 9.058 -9.254 1.00 0.00 C ATOM 2096 CD GLU A 129 -15.134 9.599 -10.040 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -14.266 8.793 -10.445 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -15.078 10.825 -10.283 1.00 0.00 O ATOM 0 H GLU A 129 -15.916 8.329 -5.301 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.090 8.751 -7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -15.914 9.926 -7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -15.106 8.395 -7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -16.591 8.080 -9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -17.175 9.714 -9.405 1.00 0.00 H new ATOM 2105 N CYS A 130 -16.625 5.848 -6.843 1.00 0.00 N ATOM 2106 CA CYS A 130 -16.719 4.434 -7.180 1.00 0.00 C ATOM 2107 C CYS A 130 -18.012 3.844 -6.621 1.00 0.00 C ATOM 2108 O CYS A 130 -18.661 3.015 -7.265 1.00 0.00 O ATOM 2109 CB CYS A 130 -15.504 3.678 -6.630 1.00 0.00 C ATOM 2110 SG CYS A 130 -13.918 4.323 -7.207 1.00 0.00 S ATOM 0 H CYS A 130 -16.002 6.053 -6.061 1.00 0.00 H new ATOM 0 HA CYS A 130 -16.731 4.330 -8.265 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -15.527 3.717 -5.541 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -15.583 2.628 -6.913 1.00 0.00 H new ATOM 0 HG CYS A 130 -14.092 4.968 -8.322 1.00 0.00 H new