USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 784 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 81 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.44) USER MOD Set 2.1: A 51 THR OG1 : rot -9:sc= -4.69! USER MOD Set 2.2: A 89 MET CE :methyl -156:sc= -3.8! (180deg=-6.94!) USER MOD Single : A 42 SER OG : rot 175:sc= 0 USER MOD Single : A 43 SER OG : rot -100:sc= -1.56! USER MOD Single : A 47 HIS : no HD1:sc= -0.354 K(o=-0.35,f=-1.5) USER MOD Single : A 63 LYS NZ :NH3+ 142:sc= -1.18 (180deg=-2.25!) USER MOD Single : A 64 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.37) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 68 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.27) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.03 F(o=-3.6!,f=-1) USER MOD Single : A 73 CYS SG : rot 67:sc= -1.55 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 108 GLN : amide:sc= -1.98! C(o=-2!,f=-2.4!) USER MOD Single : A 111 LYS NZ :NH3+ 147:sc= -0.318 (180deg=-1.48!) USER MOD Single : A 112 SER OG : rot 27:sc= -0.585 USER MOD Single : A 116 SER OG : rot -45:sc= 0.954 USER MOD Single : A 118 CYS SG : rot 40:sc= 0.601 USER MOD Single : A 120 GLN :FLIP amide:sc= -0.326 F(o=-1.4,f=-0.33) USER MOD Single : A 131 SER OG : rot 54:sc= 0.171 USER MOD ----------------------------------------------------------------- ATOM 108 N GLU A 39 2.624 8.275 -4.562 1.00 1.00 N ATOM 109 CA GLU A 39 3.475 8.949 -3.591 1.00 1.00 C ATOM 110 C GLU A 39 2.688 9.261 -2.325 1.00 1.00 C ATOM 111 O GLU A 39 1.540 9.696 -2.391 1.00 1.00 O ATOM 112 CB GLU A 39 4.017 10.249 -4.185 1.00 1.00 C ATOM 113 CG GLU A 39 5.002 9.928 -5.309 1.00 1.00 C ATOM 114 CD GLU A 39 5.466 11.215 -5.982 1.00 1.00 C ATOM 115 OE1 GLU A 39 5.008 12.270 -5.576 1.00 1.00 O ATOM 116 OE2 GLU A 39 6.275 11.126 -6.891 1.00 1.00 O ATOM 0 HA GLU A 39 4.306 8.289 -3.342 1.00 1.00 H new ATOM 0 HB2 GLU A 39 3.196 10.855 -4.569 1.00 1.00 H new ATOM 0 HB3 GLU A 39 4.512 10.836 -3.411 1.00 1.00 H new ATOM 0 HG2 GLU A 39 5.860 9.388 -4.908 1.00 1.00 H new ATOM 0 HG3 GLU A 39 4.529 9.275 -6.042 1.00 1.00 H new ATOM 123 N TRP A 40 3.312 9.026 -1.173 1.00 1.00 N ATOM 124 CA TRP A 40 2.669 9.278 0.119 1.00 1.00 C ATOM 125 C TRP A 40 3.509 10.234 0.957 1.00 1.00 C ATOM 126 O TRP A 40 3.002 11.225 1.481 1.00 1.00 O ATOM 127 CB TRP A 40 2.481 7.951 0.865 1.00 1.00 C ATOM 128 CG TRP A 40 3.674 7.078 0.643 1.00 1.00 C ATOM 129 CD1 TRP A 40 3.978 6.452 -0.519 1.00 1.00 C ATOM 130 CD2 TRP A 40 4.724 6.721 1.586 1.00 1.00 C ATOM 131 NE1 TRP A 40 5.145 5.733 -0.348 1.00 1.00 N ATOM 132 CE2 TRP A 40 5.643 5.865 0.933 1.00 1.00 C ATOM 133 CE3 TRP A 40 4.968 7.050 2.932 1.00 1.00 C ATOM 134 CZ2 TRP A 40 6.761 5.354 1.591 1.00 1.00 C ATOM 135 CZ3 TRP A 40 6.094 6.539 3.596 1.00 1.00 C ATOM 136 CH2 TRP A 40 6.984 5.691 2.926 1.00 1.00 C ATOM 0 H TRP A 40 4.262 8.661 -1.105 1.00 1.00 H new ATOM 0 HA TRP A 40 1.696 9.738 -0.054 1.00 1.00 H new ATOM 0 HB2 TRP A 40 2.347 8.137 1.931 1.00 1.00 H new ATOM 0 HB3 TRP A 40 1.580 7.449 0.513 1.00 1.00 H new ATOM 0 HD1 TRP A 40 3.402 6.506 -1.431 1.00 1.00 H new ATOM 0 HE1 TRP A 40 5.585 5.173 -1.078 1.00 1.00 H new ATOM 0 HE3 TRP A 40 4.284 7.700 3.458 1.00 1.00 H new ATOM 0 HZ2 TRP A 40 7.448 4.703 1.071 1.00 1.00 H new ATOM 0 HZ3 TRP A 40 6.275 6.801 4.628 1.00 1.00 H new ATOM 0 HH2 TRP A 40 7.846 5.297 3.444 1.00 1.00 H new ATOM 147 N LEU A 41 4.789 9.928 1.088 1.00 1.00 N ATOM 148 CA LEU A 41 5.677 10.765 1.878 1.00 1.00 C ATOM 149 C LEU A 41 5.864 12.127 1.219 1.00 1.00 C ATOM 150 O LEU A 41 6.238 13.099 1.874 1.00 1.00 O ATOM 151 CB LEU A 41 7.044 10.056 2.052 1.00 1.00 C ATOM 152 CG LEU A 41 7.232 9.597 3.506 1.00 1.00 C ATOM 153 CD1 LEU A 41 8.365 8.568 3.591 1.00 1.00 C ATOM 154 CD2 LEU A 41 7.580 10.813 4.385 1.00 1.00 C ATOM 0 H LEU A 41 5.233 9.115 0.662 1.00 1.00 H new ATOM 0 HA LEU A 41 5.229 10.924 2.859 1.00 1.00 H new ATOM 0 HB2 LEU A 41 7.102 9.197 1.383 1.00 1.00 H new ATOM 0 HB3 LEU A 41 7.850 10.734 1.772 1.00 1.00 H new ATOM 0 HG LEU A 41 6.307 9.139 3.858 1.00 1.00 H new ATOM 0 HD11 LEU A 41 8.490 8.249 4.626 1.00 1.00 H new ATOM 0 HD12 LEU A 41 8.120 7.705 2.972 1.00 1.00 H new ATOM 0 HD13 LEU A 41 9.292 9.017 3.235 1.00 1.00 H new ATOM 0 HD21 LEU A 41 7.714 10.489 5.417 1.00 1.00 H new ATOM 0 HD22 LEU A 41 8.502 11.270 4.026 1.00 1.00 H new ATOM 0 HD23 LEU A 41 6.771 11.541 4.335 1.00 1.00 H new ATOM 166 N SER A 42 5.612 12.181 -0.071 1.00 1.00 N ATOM 167 CA SER A 42 5.768 13.421 -0.808 1.00 1.00 C ATOM 168 C SER A 42 4.828 14.486 -0.257 1.00 1.00 C ATOM 169 O SER A 42 5.021 15.680 -0.488 1.00 1.00 O ATOM 170 CB SER A 42 5.471 13.186 -2.286 1.00 1.00 C ATOM 171 OG SER A 42 5.765 14.368 -3.019 1.00 1.00 O ATOM 0 H SER A 42 5.300 11.387 -0.630 1.00 1.00 H new ATOM 0 HA SER A 42 6.796 13.767 -0.697 1.00 1.00 H new ATOM 0 HB2 SER A 42 6.068 12.354 -2.661 1.00 1.00 H new ATOM 0 HB3 SER A 42 4.424 12.913 -2.419 1.00 1.00 H new ATOM 0 HG SER A 42 5.658 14.194 -3.977 1.00 1.00 H new ATOM 177 N SER A 43 3.811 14.044 0.474 1.00 1.00 N ATOM 178 CA SER A 43 2.841 14.965 1.056 1.00 1.00 C ATOM 179 C SER A 43 3.512 15.852 2.098 1.00 1.00 C ATOM 180 O SER A 43 2.959 16.872 2.507 1.00 1.00 O ATOM 181 CB SER A 43 1.692 14.187 1.702 1.00 1.00 C ATOM 182 OG SER A 43 2.103 13.697 2.971 1.00 1.00 O ATOM 0 H SER A 43 3.637 13.060 0.677 1.00 1.00 H new ATOM 0 HA SER A 43 2.442 15.593 0.260 1.00 1.00 H new ATOM 0 HB2 SER A 43 0.821 14.832 1.815 1.00 1.00 H new ATOM 0 HB3 SER A 43 1.394 13.358 1.060 1.00 1.00 H new ATOM 0 HG SER A 43 2.357 12.754 2.891 1.00 1.00 H new ATOM 188 N LEU A 44 4.712 15.460 2.522 1.00 1.00 N ATOM 189 CA LEU A 44 5.465 16.226 3.514 1.00 1.00 C ATOM 190 C LEU A 44 6.938 16.283 3.131 1.00 1.00 C ATOM 191 O LEU A 44 7.385 15.558 2.243 1.00 1.00 O ATOM 192 CB LEU A 44 5.318 15.590 4.892 1.00 1.00 C ATOM 193 CG LEU A 44 5.738 14.095 4.840 1.00 1.00 C ATOM 194 CD1 LEU A 44 6.294 13.674 6.193 1.00 1.00 C ATOM 195 CD2 LEU A 44 4.539 13.199 4.477 1.00 1.00 C ATOM 0 H LEU A 44 5.184 14.617 2.195 1.00 1.00 H new ATOM 0 HA LEU A 44 5.066 17.240 3.543 1.00 1.00 H new ATOM 0 HB2 LEU A 44 5.935 16.124 5.615 1.00 1.00 H new ATOM 0 HB3 LEU A 44 4.285 15.674 5.231 1.00 1.00 H new ATOM 0 HG LEU A 44 6.503 13.979 4.072 1.00 1.00 H new ATOM 0 HD11 LEU A 44 6.588 12.625 6.155 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.163 14.286 6.436 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.530 13.809 6.958 1.00 1.00 H new ATOM 0 HD21 LEU A 44 4.859 12.157 4.447 1.00 1.00 H new ATOM 0 HD22 LEU A 44 3.757 13.317 5.227 1.00 1.00 H new ATOM 0 HD23 LEU A 44 4.152 13.488 3.500 1.00 1.00 H new ATOM 207 N ARG A 45 7.691 17.142 3.810 1.00 1.00 N ATOM 208 CA ARG A 45 9.123 17.290 3.546 1.00 1.00 C ATOM 209 C ARG A 45 9.935 16.956 4.791 1.00 1.00 C ATOM 210 O ARG A 45 9.845 17.646 5.807 1.00 1.00 O ATOM 211 CB ARG A 45 9.412 18.723 3.125 1.00 1.00 C ATOM 212 CG ARG A 45 8.829 18.971 1.732 1.00 1.00 C ATOM 213 CD ARG A 45 8.919 20.461 1.402 1.00 1.00 C ATOM 214 NE ARG A 45 8.398 20.712 0.061 1.00 1.00 N ATOM 215 CZ ARG A 45 7.880 21.893 -0.271 1.00 1.00 C ATOM 216 NH1 ARG A 45 7.827 22.853 0.613 1.00 1.00 N ATOM 217 NH2 ARG A 45 7.426 22.092 -1.477 1.00 1.00 N ATOM 0 H ARG A 45 7.335 17.748 4.549 1.00 1.00 H new ATOM 0 HA ARG A 45 9.405 16.602 2.749 1.00 1.00 H new ATOM 0 HB2 ARG A 45 8.977 19.419 3.842 1.00 1.00 H new ATOM 0 HB3 ARG A 45 10.487 18.902 3.118 1.00 1.00 H new ATOM 0 HG2 ARG A 45 9.374 18.389 0.989 1.00 1.00 H new ATOM 0 HG3 ARG A 45 7.791 18.641 1.696 1.00 1.00 H new ATOM 0 HD2 ARG A 45 8.354 21.038 2.134 1.00 1.00 H new ATOM 0 HD3 ARG A 45 9.955 20.793 1.466 1.00 1.00 H new ATOM 0 HE ARG A 45 8.432 19.968 -0.635 1.00 1.00 H new ATOM 0 HH11 ARG A 45 8.182 22.698 1.556 1.00 1.00 H new ATOM 0 HH12 ARG A 45 7.430 23.758 0.360 1.00 1.00 H new ATOM 0 HH21 ARG A 45 7.467 21.343 -2.168 1.00 1.00 H new ATOM 0 HH22 ARG A 45 7.030 22.997 -1.730 1.00 1.00 H new ATOM 231 N ALA A 46 10.732 15.895 4.702 1.00 1.00 N ATOM 232 CA ALA A 46 11.569 15.470 5.824 1.00 1.00 C ATOM 233 C ALA A 46 12.974 16.044 5.677 1.00 1.00 C ATOM 234 O ALA A 46 13.336 16.560 4.619 1.00 1.00 O ATOM 235 CB ALA A 46 11.646 13.931 5.876 1.00 1.00 C ATOM 0 H ALA A 46 10.817 15.314 3.868 1.00 1.00 H new ATOM 0 HA ALA A 46 11.124 15.839 6.748 1.00 1.00 H new ATOM 0 HB1 ALA A 46 12.272 13.626 6.715 1.00 1.00 H new ATOM 0 HB2 ALA A 46 10.644 13.521 6.002 1.00 1.00 H new ATOM 0 HB3 ALA A 46 12.077 13.557 4.947 1.00 1.00 H new ATOM 241 N HIS A 47 13.759 15.939 6.741 1.00 1.00 N ATOM 242 CA HIS A 47 15.128 16.437 6.718 1.00 1.00 C ATOM 243 C HIS A 47 15.991 15.680 7.718 1.00 1.00 C ATOM 244 O HIS A 47 15.730 15.705 8.915 1.00 1.00 O ATOM 245 CB HIS A 47 15.145 17.926 7.054 1.00 1.00 C ATOM 246 CG HIS A 47 16.472 18.521 6.669 1.00 1.00 C ATOM 247 ND1 HIS A 47 17.632 18.252 7.375 1.00 1.00 N ATOM 248 CD2 HIS A 47 16.835 19.374 5.658 1.00 1.00 C ATOM 249 CE1 HIS A 47 18.632 18.930 6.783 1.00 1.00 C ATOM 250 NE2 HIS A 47 18.199 19.631 5.731 1.00 1.00 N ATOM 0 H HIS A 47 13.474 15.517 7.625 1.00 1.00 H new ATOM 0 HA HIS A 47 15.533 16.284 5.718 1.00 1.00 H new ATOM 0 HB2 HIS A 47 14.340 18.437 6.525 1.00 1.00 H new ATOM 0 HB3 HIS A 47 14.967 18.070 8.120 1.00 1.00 H new ATOM 0 HD2 HIS A 47 16.163 19.784 4.918 1.00 1.00 H new ATOM 0 HE1 HIS A 47 19.659 18.910 7.117 1.00 1.00 H new ATOM 0 HE2 HIS A 47 18.751 20.227 5.114 1.00 1.00 H new ATOM 259 N VAL A 48 17.036 15.026 7.222 1.00 1.00 N ATOM 260 CA VAL A 48 17.955 14.283 8.080 1.00 1.00 C ATOM 261 C VAL A 48 19.216 15.104 8.340 1.00 1.00 C ATOM 262 O VAL A 48 19.781 15.707 7.428 1.00 1.00 O ATOM 263 CB VAL A 48 18.329 12.964 7.414 1.00 1.00 C ATOM 264 CG1 VAL A 48 19.332 12.220 8.288 1.00 1.00 C ATOM 265 CG2 VAL A 48 17.069 12.109 7.255 1.00 1.00 C ATOM 0 H VAL A 48 17.269 14.995 6.229 1.00 1.00 H new ATOM 0 HA VAL A 48 17.463 14.081 9.031 1.00 1.00 H new ATOM 0 HB VAL A 48 18.771 13.159 6.437 1.00 1.00 H new ATOM 0 HG11 VAL A 48 19.600 11.277 7.812 1.00 1.00 H new ATOM 0 HG12 VAL A 48 20.227 12.829 8.415 1.00 1.00 H new ATOM 0 HG13 VAL A 48 18.888 12.021 9.263 1.00 1.00 H new ATOM 0 HG21 VAL A 48 17.329 11.163 6.779 1.00 1.00 H new ATOM 0 HG22 VAL A 48 16.635 11.914 8.236 1.00 1.00 H new ATOM 0 HG23 VAL A 48 16.345 12.640 6.637 1.00 1.00 H new ATOM 275 N VAL A 49 19.652 15.115 9.595 1.00 1.00 N ATOM 276 CA VAL A 49 20.851 15.857 9.986 1.00 1.00 C ATOM 277 C VAL A 49 22.102 15.005 9.785 1.00 1.00 C ATOM 278 O VAL A 49 22.203 13.891 10.291 1.00 1.00 O ATOM 279 CB VAL A 49 20.751 16.269 11.451 1.00 1.00 C ATOM 280 CG1 VAL A 49 19.562 17.213 11.622 1.00 1.00 C ATOM 281 CG2 VAL A 49 20.568 15.024 12.332 1.00 1.00 C ATOM 0 H VAL A 49 19.195 14.620 10.361 1.00 1.00 H new ATOM 0 HA VAL A 49 20.924 16.745 9.358 1.00 1.00 H new ATOM 0 HB VAL A 49 21.666 16.778 11.754 1.00 1.00 H new ATOM 0 HG11 VAL A 49 19.483 17.513 12.667 1.00 1.00 H new ATOM 0 HG12 VAL A 49 19.707 18.097 11.001 1.00 1.00 H new ATOM 0 HG13 VAL A 49 18.647 16.704 11.320 1.00 1.00 H new ATOM 0 HG21 VAL A 49 20.497 15.325 13.377 1.00 1.00 H new ATOM 0 HG22 VAL A 49 19.655 14.504 12.042 1.00 1.00 H new ATOM 0 HG23 VAL A 49 21.422 14.358 12.203 1.00 1.00 H new ATOM 291 N ARG A 50 23.046 15.540 9.029 1.00 1.00 N ATOM 292 CA ARG A 50 24.291 14.829 8.744 1.00 1.00 C ATOM 293 C ARG A 50 25.216 14.826 9.957 1.00 1.00 C ATOM 294 O ARG A 50 25.888 13.834 10.241 1.00 1.00 O ATOM 295 CB ARG A 50 25.005 15.486 7.560 1.00 1.00 C ATOM 296 CG ARG A 50 24.049 15.589 6.356 1.00 1.00 C ATOM 297 CD ARG A 50 23.996 14.259 5.595 1.00 1.00 C ATOM 298 NE ARG A 50 22.891 14.269 4.649 1.00 1.00 N ATOM 299 CZ ARG A 50 22.901 15.065 3.589 1.00 1.00 C ATOM 300 NH1 ARG A 50 23.911 15.862 3.380 1.00 1.00 N ATOM 301 NH2 ARG A 50 21.899 15.047 2.757 1.00 1.00 N ATOM 0 H ARG A 50 22.979 16.463 8.600 1.00 1.00 H new ATOM 0 HA ARG A 50 24.041 13.797 8.499 1.00 1.00 H new ATOM 0 HB2 ARG A 50 25.355 16.479 7.842 1.00 1.00 H new ATOM 0 HB3 ARG A 50 25.885 14.903 7.287 1.00 1.00 H new ATOM 0 HG2 ARG A 50 23.050 15.858 6.700 1.00 1.00 H new ATOM 0 HG3 ARG A 50 24.381 16.384 5.688 1.00 1.00 H new ATOM 0 HD2 ARG A 50 24.936 14.095 5.067 1.00 1.00 H new ATOM 0 HD3 ARG A 50 23.877 13.434 6.297 1.00 1.00 H new ATOM 0 HE ARG A 50 22.094 13.652 4.804 1.00 1.00 H new ATOM 0 HH11 ARG A 50 24.695 15.874 4.032 1.00 1.00 H new ATOM 0 HH12 ARG A 50 23.917 16.474 2.564 1.00 1.00 H new ATOM 0 HH21 ARG A 50 21.110 14.422 2.922 1.00 1.00 H new ATOM 0 HH22 ARG A 50 21.903 15.658 1.940 1.00 1.00 H new ATOM 315 N THR A 51 25.257 15.941 10.662 1.00 1.00 N ATOM 316 CA THR A 51 26.118 16.052 11.829 1.00 1.00 C ATOM 317 C THR A 51 25.754 15.000 12.865 1.00 1.00 C ATOM 318 O THR A 51 26.577 14.640 13.706 1.00 1.00 O ATOM 319 CB THR A 51 25.983 17.443 12.449 1.00 1.00 C ATOM 320 OG1 THR A 51 24.617 17.699 12.735 1.00 1.00 O ATOM 321 CG2 THR A 51 26.519 18.489 11.470 1.00 1.00 C ATOM 0 H THR A 51 24.711 16.776 10.452 1.00 1.00 H new ATOM 0 HA THR A 51 27.148 15.893 11.510 1.00 1.00 H new ATOM 0 HB THR A 51 26.557 17.493 13.374 1.00 1.00 H new ATOM 0 HG1 THR A 51 24.062 16.994 12.340 1.00 1.00 H new ATOM 0 HG21 THR A 51 26.424 19.482 11.910 1.00 1.00 H new ATOM 0 HG22 THR A 51 27.569 18.285 11.258 1.00 1.00 H new ATOM 0 HG23 THR A 51 25.947 18.447 10.543 1.00 1.00 H new ATOM 329 N GLY A 52 24.521 14.504 12.798 1.00 1.00 N ATOM 330 CA GLY A 52 24.054 13.481 13.737 1.00 1.00 C ATOM 331 C GLY A 52 23.742 12.187 13.010 1.00 1.00 C ATOM 332 O GLY A 52 24.617 11.342 12.827 1.00 1.00 O ATOM 0 H GLY A 52 23.828 14.791 12.107 1.00 1.00 H new ATOM 0 HA2 GLY A 52 24.815 13.303 14.496 1.00 1.00 H new ATOM 0 HA3 GLY A 52 23.164 13.836 14.256 1.00 1.00 H new ATOM 336 N ILE A 53 22.491 12.035 12.594 1.00 1.00 N ATOM 337 CA ILE A 53 22.069 10.826 11.890 1.00 1.00 C ATOM 338 C ILE A 53 23.143 10.369 10.905 1.00 1.00 C ATOM 339 O ILE A 53 23.247 9.185 10.594 1.00 1.00 O ATOM 340 CB ILE A 53 20.758 11.092 11.133 1.00 1.00 C ATOM 341 CG1 ILE A 53 19.578 11.151 12.109 1.00 1.00 C ATOM 342 CG2 ILE A 53 20.514 9.994 10.097 1.00 1.00 C ATOM 343 CD1 ILE A 53 19.060 9.739 12.417 1.00 1.00 C ATOM 0 H ILE A 53 21.754 12.727 12.729 1.00 1.00 H new ATOM 0 HA ILE A 53 21.913 10.038 12.627 1.00 1.00 H new ATOM 0 HB ILE A 53 20.844 12.052 10.624 1.00 1.00 H new ATOM 0 HG12 ILE A 53 19.887 11.640 13.033 1.00 1.00 H new ATOM 0 HG13 ILE A 53 18.776 11.753 11.682 1.00 1.00 H new ATOM 0 HG21 ILE A 53 19.582 10.194 9.568 1.00 1.00 H new ATOM 0 HG22 ILE A 53 21.339 9.976 9.385 1.00 1.00 H new ATOM 0 HG23 ILE A 53 20.446 9.029 10.599 1.00 1.00 H new ATOM 0 HD11 ILE A 53 18.222 9.802 13.112 1.00 1.00 H new ATOM 0 HD12 ILE A 53 18.730 9.263 11.494 1.00 1.00 H new ATOM 0 HD13 ILE A 53 19.859 9.148 12.865 1.00 1.00 H new ATOM 355 N GLY A 54 23.928 11.310 10.421 1.00 1.00 N ATOM 356 CA GLY A 54 24.985 10.985 9.472 1.00 1.00 C ATOM 357 C GLY A 54 26.102 10.200 10.153 1.00 1.00 C ATOM 358 O GLY A 54 27.283 10.444 9.910 1.00 1.00 O ATOM 0 H GLY A 54 23.859 12.298 10.663 1.00 1.00 H new ATOM 0 HA2 GLY A 54 24.574 10.401 8.649 1.00 1.00 H new ATOM 0 HA3 GLY A 54 25.389 11.902 9.042 1.00 1.00 H new ATOM 362 N ARG A 55 25.719 9.259 11.008 1.00 1.00 N ATOM 363 CA ARG A 55 26.691 8.435 11.724 1.00 1.00 C ATOM 364 C ARG A 55 27.211 7.307 10.835 1.00 1.00 C ATOM 365 O ARG A 55 28.408 7.221 10.560 1.00 1.00 O ATOM 366 CB ARG A 55 26.041 7.840 12.993 1.00 1.00 C ATOM 367 CG ARG A 55 24.528 7.740 12.797 1.00 1.00 C ATOM 368 CD ARG A 55 23.919 6.973 13.970 1.00 1.00 C ATOM 369 NE ARG A 55 24.268 7.620 15.227 1.00 1.00 N ATOM 370 CZ ARG A 55 23.928 7.079 16.391 1.00 1.00 C ATOM 371 NH1 ARG A 55 23.267 5.954 16.419 1.00 1.00 N ATOM 372 NH2 ARG A 55 24.254 7.672 17.506 1.00 1.00 N ATOM 0 H ARG A 55 24.745 9.046 11.223 1.00 1.00 H new ATOM 0 HA ARG A 55 27.533 9.067 12.007 1.00 1.00 H new ATOM 0 HB2 ARG A 55 26.457 6.854 13.198 1.00 1.00 H new ATOM 0 HB3 ARG A 55 26.265 8.467 13.856 1.00 1.00 H new ATOM 0 HG2 ARG A 55 24.091 8.736 12.732 1.00 1.00 H new ATOM 0 HG3 ARG A 55 24.304 7.232 11.859 1.00 1.00 H new ATOM 0 HD2 ARG A 55 22.835 6.930 13.863 1.00 1.00 H new ATOM 0 HD3 ARG A 55 24.280 5.945 13.969 1.00 1.00 H new ATOM 0 HE ARG A 55 24.781 8.501 15.213 1.00 1.00 H new ATOM 0 HH11 ARG A 55 23.012 5.491 15.547 1.00 1.00 H new ATOM 0 HH12 ARG A 55 23.006 5.538 17.313 1.00 1.00 H new ATOM 0 HH21 ARG A 55 24.770 8.551 17.484 1.00 1.00 H new ATOM 0 HH22 ARG A 55 23.993 7.256 18.400 1.00 1.00 H new ATOM 386 N ALA A 56 26.303 6.439 10.398 1.00 1.00 N ATOM 387 CA ALA A 56 26.676 5.307 9.557 1.00 1.00 C ATOM 388 C ALA A 56 25.535 4.925 8.632 1.00 1.00 C ATOM 389 O ALA A 56 25.446 5.421 7.514 1.00 1.00 O ATOM 390 CB ALA A 56 27.039 4.113 10.435 1.00 1.00 C ATOM 0 H ALA A 56 25.307 6.498 10.612 1.00 1.00 H new ATOM 0 HA ALA A 56 27.535 5.595 8.951 1.00 1.00 H new ATOM 0 HB1 ALA A 56 27.317 3.269 9.804 1.00 1.00 H new ATOM 0 HB2 ALA A 56 27.878 4.377 11.079 1.00 1.00 H new ATOM 0 HB3 ALA A 56 26.182 3.839 11.050 1.00 1.00 H new ATOM 396 N ARG A 57 24.671 4.026 9.100 1.00 1.00 N ATOM 397 CA ARG A 57 23.535 3.572 8.301 1.00 1.00 C ATOM 398 C ARG A 57 22.292 4.409 8.591 1.00 1.00 C ATOM 399 O ARG A 57 21.399 4.514 7.756 1.00 1.00 O ATOM 400 CB ARG A 57 23.238 2.112 8.609 1.00 1.00 C ATOM 401 CG ARG A 57 22.219 1.548 7.574 1.00 1.00 C ATOM 402 CD ARG A 57 21.051 0.880 8.296 1.00 1.00 C ATOM 403 NE ARG A 57 20.360 1.861 9.127 1.00 1.00 N ATOM 404 CZ ARG A 57 19.193 1.582 9.689 1.00 1.00 C ATOM 405 NH1 ARG A 57 18.647 0.415 9.498 1.00 1.00 N ATOM 406 NH2 ARG A 57 18.593 2.472 10.432 1.00 1.00 N ATOM 0 H ARG A 57 24.735 3.599 10.024 1.00 1.00 H new ATOM 0 HA ARG A 57 23.795 3.685 7.249 1.00 1.00 H new ATOM 0 HB2 ARG A 57 24.159 1.530 8.579 1.00 1.00 H new ATOM 0 HB3 ARG A 57 22.835 2.019 9.617 1.00 1.00 H new ATOM 0 HG2 ARG A 57 21.851 2.354 6.939 1.00 1.00 H new ATOM 0 HG3 ARG A 57 22.713 0.828 6.922 1.00 1.00 H new ATOM 0 HD2 ARG A 57 20.359 0.452 7.570 1.00 1.00 H new ATOM 0 HD3 ARG A 57 21.414 0.058 8.913 1.00 1.00 H new ATOM 0 HE ARG A 57 20.783 2.777 9.278 1.00 1.00 H new ATOM 0 HH11 ARG A 57 19.118 -0.279 8.918 1.00 1.00 H new ATOM 0 HH12 ARG A 57 17.749 0.196 9.929 1.00 1.00 H new ATOM 0 HH21 ARG A 57 19.023 3.385 10.581 1.00 1.00 H new ATOM 0 HH22 ARG A 57 17.695 2.254 10.863 1.00 1.00 H new ATOM 420 N ALA A 58 22.246 5.003 9.771 1.00 1.00 N ATOM 421 CA ALA A 58 21.113 5.837 10.158 1.00 1.00 C ATOM 422 C ALA A 58 20.832 6.881 9.069 1.00 1.00 C ATOM 423 O ALA A 58 19.772 7.487 9.022 1.00 1.00 O ATOM 424 CB ALA A 58 21.392 6.509 11.498 1.00 1.00 C ATOM 0 H ALA A 58 22.976 4.926 10.479 1.00 1.00 H new ATOM 0 HA ALA A 58 20.228 5.210 10.268 1.00 1.00 H new ATOM 0 HB1 ALA A 58 20.541 7.129 11.778 1.00 1.00 H new ATOM 0 HB2 ALA A 58 21.553 5.747 12.261 1.00 1.00 H new ATOM 0 HB3 ALA A 58 22.283 7.132 11.414 1.00 1.00 H new ATOM 430 N GLU A 59 21.798 7.088 8.198 1.00 1.00 N ATOM 431 CA GLU A 59 21.625 8.049 7.107 1.00 1.00 C ATOM 432 C GLU A 59 20.685 7.509 6.043 1.00 1.00 C ATOM 433 O GLU A 59 19.918 8.245 5.447 1.00 1.00 O ATOM 434 CB GLU A 59 22.978 8.387 6.509 1.00 1.00 C ATOM 435 CG GLU A 59 23.591 7.118 5.925 1.00 1.00 C ATOM 436 CD GLU A 59 25.055 7.354 5.568 1.00 1.00 C ATOM 437 OE1 GLU A 59 25.490 8.491 5.651 1.00 1.00 O ATOM 438 OE2 GLU A 59 25.724 6.393 5.224 1.00 1.00 O ATOM 0 H GLU A 59 22.702 6.616 8.215 1.00 1.00 H new ATOM 0 HA GLU A 59 21.175 8.957 7.509 1.00 1.00 H new ATOM 0 HB2 GLU A 59 22.868 9.144 5.733 1.00 1.00 H new ATOM 0 HB3 GLU A 59 23.634 8.806 7.273 1.00 1.00 H new ATOM 0 HG2 GLU A 59 23.512 6.303 6.645 1.00 1.00 H new ATOM 0 HG3 GLU A 59 23.037 6.814 5.037 1.00 1.00 H new ATOM 445 N LEU A 60 20.738 6.218 5.822 1.00 1.00 N ATOM 446 CA LEU A 60 19.883 5.593 4.834 1.00 1.00 C ATOM 447 C LEU A 60 18.442 6.083 4.973 1.00 1.00 C ATOM 448 O LEU A 60 17.615 5.902 4.081 1.00 1.00 O ATOM 449 CB LEU A 60 19.920 4.074 4.985 1.00 1.00 C ATOM 450 CG LEU A 60 19.443 3.405 3.668 1.00 1.00 C ATOM 451 CD1 LEU A 60 20.626 3.231 2.708 1.00 1.00 C ATOM 452 CD2 LEU A 60 18.837 2.032 3.977 1.00 1.00 C ATOM 0 H LEU A 60 21.363 5.577 6.311 1.00 1.00 H new ATOM 0 HA LEU A 60 20.255 5.868 3.847 1.00 1.00 H new ATOM 0 HB2 LEU A 60 20.932 3.747 5.224 1.00 1.00 H new ATOM 0 HB3 LEU A 60 19.281 3.766 5.813 1.00 1.00 H new ATOM 0 HG LEU A 60 18.691 4.042 3.201 1.00 1.00 H new ATOM 0 HD11 LEU A 60 20.281 2.761 1.787 1.00 1.00 H new ATOM 0 HD12 LEU A 60 21.055 4.206 2.479 1.00 1.00 H new ATOM 0 HD13 LEU A 60 21.384 2.602 3.175 1.00 1.00 H new ATOM 0 HD21 LEU A 60 18.503 1.565 3.051 1.00 1.00 H new ATOM 0 HD22 LEU A 60 19.589 1.401 4.451 1.00 1.00 H new ATOM 0 HD23 LEU A 60 17.988 2.152 4.649 1.00 1.00 H new ATOM 464 N PHE A 61 18.141 6.667 6.120 1.00 1.00 N ATOM 465 CA PHE A 61 16.785 7.142 6.392 1.00 1.00 C ATOM 466 C PHE A 61 16.304 8.146 5.338 1.00 1.00 C ATOM 467 O PHE A 61 15.212 7.997 4.790 1.00 1.00 O ATOM 468 CB PHE A 61 16.743 7.804 7.787 1.00 1.00 C ATOM 469 CG PHE A 61 16.208 6.835 8.829 1.00 1.00 C ATOM 470 CD1 PHE A 61 14.949 6.250 8.665 1.00 1.00 C ATOM 471 CD2 PHE A 61 16.978 6.508 9.948 1.00 1.00 C ATOM 472 CE1 PHE A 61 14.467 5.351 9.611 1.00 1.00 C ATOM 473 CE2 PHE A 61 16.498 5.605 10.889 1.00 1.00 C ATOM 474 CZ PHE A 61 15.241 5.024 10.723 1.00 1.00 C ATOM 0 H PHE A 61 18.807 6.825 6.876 1.00 1.00 H new ATOM 0 HA PHE A 61 16.119 6.280 6.358 1.00 1.00 H new ATOM 0 HB2 PHE A 61 17.743 8.132 8.069 1.00 1.00 H new ATOM 0 HB3 PHE A 61 16.113 8.693 7.754 1.00 1.00 H new ATOM 0 HD1 PHE A 61 14.349 6.497 7.802 1.00 1.00 H new ATOM 0 HD2 PHE A 61 17.950 6.959 10.082 1.00 1.00 H new ATOM 0 HE1 PHE A 61 13.491 4.906 9.483 1.00 1.00 H new ATOM 0 HE2 PHE A 61 17.099 5.353 11.750 1.00 1.00 H new ATOM 0 HZ PHE A 61 14.868 4.322 11.454 1.00 1.00 H new ATOM 484 N GLU A 62 17.104 9.160 5.075 1.00 1.00 N ATOM 485 CA GLU A 62 16.732 10.178 4.105 1.00 1.00 C ATOM 486 C GLU A 62 16.473 9.547 2.737 1.00 1.00 C ATOM 487 O GLU A 62 15.592 9.971 2.002 1.00 1.00 O ATOM 488 CB GLU A 62 17.864 11.220 3.990 1.00 1.00 C ATOM 489 CG GLU A 62 19.217 10.550 4.234 1.00 1.00 C ATOM 490 CD GLU A 62 20.347 11.434 3.730 1.00 1.00 C ATOM 491 OE1 GLU A 62 20.216 11.970 2.643 1.00 1.00 O ATOM 492 OE2 GLU A 62 21.334 11.558 4.438 1.00 1.00 O ATOM 0 H GLU A 62 18.013 9.303 5.516 1.00 1.00 H new ATOM 0 HA GLU A 62 15.817 10.666 4.442 1.00 1.00 H new ATOM 0 HB2 GLU A 62 17.849 11.678 3.001 1.00 1.00 H new ATOM 0 HB3 GLU A 62 17.709 12.020 4.714 1.00 1.00 H new ATOM 0 HG2 GLU A 62 19.347 10.356 5.299 1.00 1.00 H new ATOM 0 HG3 GLU A 62 19.248 9.585 3.728 1.00 1.00 H new ATOM 499 N LYS A 63 17.254 8.549 2.406 1.00 1.00 N ATOM 500 CA LYS A 63 17.124 7.880 1.116 1.00 1.00 C ATOM 501 C LYS A 63 15.745 7.239 0.989 1.00 1.00 C ATOM 502 O LYS A 63 15.083 7.350 -0.040 1.00 1.00 O ATOM 503 CB LYS A 63 18.217 6.804 0.965 1.00 1.00 C ATOM 504 CG LYS A 63 19.482 7.221 1.723 1.00 1.00 C ATOM 505 CD LYS A 63 20.054 8.518 1.159 1.00 1.00 C ATOM 506 CE LYS A 63 20.568 8.287 -0.272 1.00 1.00 C ATOM 507 NZ LYS A 63 19.481 8.598 -1.248 1.00 1.00 N ATOM 0 H LYS A 63 17.990 8.175 3.006 1.00 1.00 H new ATOM 0 HA LYS A 63 17.242 8.621 0.326 1.00 1.00 H new ATOM 0 HB2 LYS A 63 17.853 5.850 1.348 1.00 1.00 H new ATOM 0 HB3 LYS A 63 18.449 6.657 -0.090 1.00 1.00 H new ATOM 0 HG2 LYS A 63 19.251 7.351 2.780 1.00 1.00 H new ATOM 0 HG3 LYS A 63 20.229 6.430 1.655 1.00 1.00 H new ATOM 0 HD2 LYS A 63 19.288 9.293 1.158 1.00 1.00 H new ATOM 0 HD3 LYS A 63 20.866 8.873 1.793 1.00 1.00 H new ATOM 0 HE2 LYS A 63 21.436 8.918 -0.464 1.00 1.00 H new ATOM 0 HE3 LYS A 63 20.893 7.253 -0.391 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 19.888 9.064 -2.084 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 19.011 7.716 -1.537 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 18.786 9.231 -0.803 1.00 1.00 H new ATOM 521 N GLN A 64 15.324 6.574 2.048 1.00 1.00 N ATOM 522 CA GLN A 64 14.028 5.919 2.051 1.00 1.00 C ATOM 523 C GLN A 64 12.917 6.948 1.894 1.00 1.00 C ATOM 524 O GLN A 64 11.791 6.608 1.540 1.00 1.00 O ATOM 525 CB GLN A 64 13.833 5.149 3.356 1.00 1.00 C ATOM 526 CG GLN A 64 14.887 4.046 3.470 1.00 1.00 C ATOM 527 CD GLN A 64 14.691 3.018 2.362 1.00 1.00 C ATOM 528 OE1 GLN A 64 13.586 2.510 2.173 1.00 1.00 O ATOM 529 NE2 GLN A 64 15.704 2.680 1.613 1.00 1.00 N ATOM 0 H GLN A 64 15.856 6.473 2.912 1.00 1.00 H new ATOM 0 HA GLN A 64 13.989 5.222 1.213 1.00 1.00 H new ATOM 0 HB2 GLN A 64 13.911 5.828 4.205 1.00 1.00 H new ATOM 0 HB3 GLN A 64 12.834 4.714 3.387 1.00 1.00 H new ATOM 0 HG2 GLN A 64 15.885 4.478 3.403 1.00 1.00 H new ATOM 0 HG3 GLN A 64 14.814 3.561 4.444 1.00 1.00 H new ATOM 0 HE21 GLN A 64 16.619 3.102 1.772 1.00 1.00 H new ATOM 0 HE22 GLN A 64 15.581 1.993 0.869 1.00 1.00 H new ATOM 538 N ILE A 65 13.237 8.208 2.167 1.00 1.00 N ATOM 539 CA ILE A 65 12.247 9.278 2.056 1.00 1.00 C ATOM 540 C ILE A 65 12.183 9.817 0.629 1.00 1.00 C ATOM 541 O ILE A 65 11.122 9.832 0.015 1.00 1.00 O ATOM 542 CB ILE A 65 12.617 10.417 2.997 1.00 1.00 C ATOM 543 CG1 ILE A 65 12.571 9.921 4.448 1.00 1.00 C ATOM 544 CG2 ILE A 65 11.629 11.574 2.823 1.00 1.00 C ATOM 545 CD1 ILE A 65 13.244 10.934 5.400 1.00 1.00 C ATOM 0 H ILE A 65 14.164 8.514 2.464 1.00 1.00 H new ATOM 0 HA ILE A 65 11.273 8.869 2.323 1.00 1.00 H new ATOM 0 HB ILE A 65 13.624 10.763 2.762 1.00 1.00 H new ATOM 0 HG12 ILE A 65 11.535 9.765 4.750 1.00 1.00 H new ATOM 0 HG13 ILE A 65 13.074 8.957 4.523 1.00 1.00 H new ATOM 0 HG21 ILE A 65 11.898 12.386 3.498 1.00 1.00 H new ATOM 0 HG22 ILE A 65 11.664 11.931 1.794 1.00 1.00 H new ATOM 0 HG23 ILE A 65 10.621 11.229 3.053 1.00 1.00 H new ATOM 0 HD11 ILE A 65 13.198 10.559 6.422 1.00 1.00 H new ATOM 0 HD12 ILE A 65 14.286 11.069 5.110 1.00 1.00 H new ATOM 0 HD13 ILE A 65 12.724 11.890 5.341 1.00 1.00 H new ATOM 557 N VAL A 66 13.319 10.262 0.114 1.00 1.00 N ATOM 558 CA VAL A 66 13.369 10.810 -1.236 1.00 1.00 C ATOM 559 C VAL A 66 12.993 9.750 -2.268 1.00 1.00 C ATOM 560 O VAL A 66 12.316 10.040 -3.255 1.00 1.00 O ATOM 561 CB VAL A 66 14.777 11.347 -1.526 1.00 1.00 C ATOM 562 CG1 VAL A 66 15.277 12.191 -0.329 1.00 1.00 C ATOM 563 CG2 VAL A 66 15.738 10.172 -1.771 1.00 1.00 C ATOM 0 H VAL A 66 14.213 10.256 0.605 1.00 1.00 H new ATOM 0 HA VAL A 66 12.648 11.625 -1.305 1.00 1.00 H new ATOM 0 HB VAL A 66 14.743 11.977 -2.415 1.00 1.00 H new ATOM 0 HG11 VAL A 66 16.277 12.569 -0.543 1.00 1.00 H new ATOM 0 HG12 VAL A 66 14.600 13.029 -0.167 1.00 1.00 H new ATOM 0 HG13 VAL A 66 15.307 11.570 0.567 1.00 1.00 H new ATOM 0 HG21 VAL A 66 16.737 10.556 -1.977 1.00 1.00 H new ATOM 0 HG22 VAL A 66 15.769 9.536 -0.886 1.00 1.00 H new ATOM 0 HG23 VAL A 66 15.390 9.589 -2.624 1.00 1.00 H new ATOM 573 N GLN A 67 13.442 8.525 -2.033 1.00 1.00 N ATOM 574 CA GLN A 67 13.154 7.429 -2.945 1.00 1.00 C ATOM 575 C GLN A 67 11.654 7.189 -3.041 1.00 1.00 C ATOM 576 O GLN A 67 11.128 6.925 -4.121 1.00 1.00 O ATOM 577 CB GLN A 67 13.849 6.155 -2.463 1.00 1.00 C ATOM 578 CG GLN A 67 15.355 6.265 -2.710 1.00 1.00 C ATOM 579 CD GLN A 67 16.074 5.078 -2.078 1.00 1.00 C ATOM 580 OE1 GLN A 67 15.430 4.178 -1.535 1.00 1.00 O ATOM 581 NE2 GLN A 67 17.376 5.023 -2.112 1.00 1.00 N ATOM 0 H GLN A 67 14.004 8.267 -1.222 1.00 1.00 H new ATOM 0 HA GLN A 67 13.528 7.696 -3.933 1.00 1.00 H new ATOM 0 HB2 GLN A 67 13.655 6.003 -1.401 1.00 1.00 H new ATOM 0 HB3 GLN A 67 13.447 5.289 -2.988 1.00 1.00 H new ATOM 0 HG2 GLN A 67 15.555 6.294 -3.781 1.00 1.00 H new ATOM 0 HG3 GLN A 67 15.734 7.196 -2.290 1.00 1.00 H new ATOM 0 HE21 GLN A 67 17.906 5.769 -2.562 1.00 1.00 H new ATOM 0 HE22 GLN A 67 17.864 4.234 -1.689 1.00 1.00 H new ATOM 590 N HIS A 68 10.969 7.281 -1.906 1.00 1.00 N ATOM 591 CA HIS A 68 9.522 7.071 -1.868 1.00 1.00 C ATOM 592 C HIS A 68 8.780 8.401 -1.952 1.00 1.00 C ATOM 593 O HIS A 68 7.587 8.475 -1.667 1.00 1.00 O ATOM 594 CB HIS A 68 9.135 6.353 -0.578 1.00 1.00 C ATOM 595 CG HIS A 68 9.702 4.960 -0.591 1.00 1.00 C ATOM 596 ND1 HIS A 68 8.910 3.841 -0.802 1.00 1.00 N ATOM 597 CD2 HIS A 68 10.981 4.487 -0.427 1.00 1.00 C ATOM 598 CE1 HIS A 68 9.713 2.762 -0.758 1.00 1.00 C ATOM 599 NE2 HIS A 68 10.985 3.101 -0.533 1.00 1.00 N ATOM 0 H HIS A 68 11.389 7.499 -1.002 1.00 1.00 H new ATOM 0 HA HIS A 68 9.242 6.459 -2.726 1.00 1.00 H new ATOM 0 HB2 HIS A 68 9.512 6.903 0.284 1.00 1.00 H new ATOM 0 HB3 HIS A 68 8.050 6.315 -0.482 1.00 1.00 H new ATOM 0 HD2 HIS A 68 11.852 5.099 -0.243 1.00 1.00 H new ATOM 0 HE1 HIS A 68 9.371 1.746 -0.889 1.00 1.00 H new ATOM 0 HE2 HIS A 68 11.788 2.476 -0.456 1.00 1.00 H new ATOM 608 N GLY A 69 9.499 9.451 -2.342 1.00 1.00 N ATOM 609 CA GLY A 69 8.904 10.783 -2.463 1.00 1.00 C ATOM 610 C GLY A 69 9.159 11.600 -1.205 1.00 1.00 C ATOM 611 O GLY A 69 9.169 11.065 -0.101 1.00 1.00 O ATOM 0 H GLY A 69 10.490 9.408 -2.579 1.00 1.00 H new ATOM 0 HA2 GLY A 69 9.323 11.297 -3.328 1.00 1.00 H new ATOM 0 HA3 GLY A 69 7.831 10.694 -2.634 1.00 1.00 H new ATOM 615 N GLY A 70 9.360 12.902 -1.376 1.00 1.00 N ATOM 616 CA GLY A 70 9.617 13.791 -0.242 1.00 1.00 C ATOM 617 C GLY A 70 11.083 14.200 -0.200 1.00 1.00 C ATOM 618 O GLY A 70 11.711 14.193 0.857 1.00 1.00 O ATOM 0 H GLY A 70 9.351 13.367 -2.284 1.00 1.00 H new ATOM 0 HA2 GLY A 70 8.989 14.678 -0.320 1.00 1.00 H new ATOM 0 HA3 GLY A 70 9.347 13.290 0.688 1.00 1.00 H new ATOM 622 N GLN A 71 11.626 14.559 -1.361 1.00 1.00 N ATOM 623 CA GLN A 71 13.026 14.972 -1.449 1.00 1.00 C ATOM 624 C GLN A 71 13.403 15.857 -0.263 1.00 1.00 C ATOM 625 O GLN A 71 12.536 16.430 0.396 1.00 1.00 O ATOM 626 CB GLN A 71 13.262 15.738 -2.752 1.00 1.00 C ATOM 627 CG GLN A 71 13.228 14.766 -3.937 1.00 1.00 C ATOM 628 CD GLN A 71 14.545 14.000 -4.025 1.00 1.00 C ATOM 629 OE1 GLN A 71 15.457 14.181 -3.108 1.00 1.00 O flip ATOM 630 NE2 GLN A 71 14.748 13.216 -4.952 1.00 1.00 N flip ATOM 0 H GLN A 71 11.123 14.573 -2.248 1.00 1.00 H new ATOM 0 HA GLN A 71 13.649 14.078 -1.432 1.00 1.00 H new ATOM 0 HB2 GLN A 71 12.498 16.506 -2.877 1.00 1.00 H new ATOM 0 HB3 GLN A 71 14.224 16.249 -2.716 1.00 1.00 H new ATOM 0 HG2 GLN A 71 12.399 14.068 -3.821 1.00 1.00 H new ATOM 0 HG3 GLN A 71 13.055 15.315 -4.863 1.00 1.00 H new ATOM 0 HE21 GLN A 71 14.034 13.076 -5.667 1.00 1.00 H new ATOM 0 HE22 GLN A 71 15.630 12.706 -5.005 1.00 1.00 H new ATOM 639 N LEU A 72 14.697 15.967 -0.003 1.00 1.00 N ATOM 640 CA LEU A 72 15.167 16.784 1.104 1.00 1.00 C ATOM 641 C LEU A 72 14.944 18.246 0.791 1.00 1.00 C ATOM 642 O LEU A 72 15.193 18.694 -0.328 1.00 1.00 O ATOM 643 CB LEU A 72 16.657 16.521 1.339 1.00 1.00 C ATOM 644 CG LEU A 72 16.846 15.115 1.937 1.00 1.00 C ATOM 645 CD1 LEU A 72 18.304 14.683 1.763 1.00 1.00 C ATOM 646 CD2 LEU A 72 16.500 15.114 3.438 1.00 1.00 C ATOM 0 H LEU A 72 15.433 15.506 -0.538 1.00 1.00 H new ATOM 0 HA LEU A 72 14.611 16.526 2.005 1.00 1.00 H new ATOM 0 HB2 LEU A 72 17.204 16.604 0.400 1.00 1.00 H new ATOM 0 HB3 LEU A 72 17.067 17.272 2.014 1.00 1.00 H new ATOM 0 HG LEU A 72 16.182 14.423 1.419 1.00 1.00 H new ATOM 0 HD11 LEU A 72 18.441 13.688 2.185 1.00 1.00 H new ATOM 0 HD12 LEU A 72 18.554 14.665 0.702 1.00 1.00 H new ATOM 0 HD13 LEU A 72 18.956 15.389 2.277 1.00 1.00 H new ATOM 0 HD21 LEU A 72 16.640 14.112 3.843 1.00 1.00 H new ATOM 0 HD22 LEU A 72 17.153 15.811 3.962 1.00 1.00 H new ATOM 0 HD23 LEU A 72 15.462 15.418 3.572 1.00 1.00 H new ATOM 658 N CYS A 73 14.458 18.988 1.784 1.00 1.00 N ATOM 659 CA CYS A 73 14.189 20.412 1.601 1.00 1.00 C ATOM 660 C CYS A 73 14.794 21.247 2.742 1.00 1.00 C ATOM 661 O CYS A 73 14.193 21.373 3.805 1.00 1.00 O ATOM 662 CB CYS A 73 12.689 20.639 1.554 1.00 1.00 C ATOM 663 SG CYS A 73 12.056 20.001 -0.018 1.00 1.00 S ATOM 0 H CYS A 73 14.244 18.631 2.715 1.00 1.00 H new ATOM 0 HA CYS A 73 14.649 20.728 0.665 1.00 1.00 H new ATOM 0 HB2 CYS A 73 12.204 20.135 2.390 1.00 1.00 H new ATOM 0 HB3 CYS A 73 12.464 21.701 1.649 1.00 1.00 H new ATOM 0 HG CYS A 73 12.179 18.707 -0.042 1.00 1.00 H new ATOM 669 N PRO A 74 15.963 21.806 2.546 1.00 1.00 N ATOM 670 CA PRO A 74 16.630 22.649 3.576 1.00 1.00 C ATOM 671 C PRO A 74 16.052 24.061 3.622 1.00 1.00 C ATOM 672 O PRO A 74 15.124 24.387 2.883 1.00 1.00 O ATOM 673 CB PRO A 74 18.105 22.653 3.132 1.00 1.00 C ATOM 674 CG PRO A 74 18.080 22.423 1.646 1.00 1.00 C ATOM 675 CD PRO A 74 16.768 21.703 1.318 1.00 1.00 C ATOM 0 HA PRO A 74 16.491 22.265 4.586 1.00 1.00 H new ATOM 0 HB2 PRO A 74 18.585 23.601 3.374 1.00 1.00 H new ATOM 0 HB3 PRO A 74 18.670 21.871 3.640 1.00 1.00 H new ATOM 0 HG2 PRO A 74 18.143 23.370 1.110 1.00 1.00 H new ATOM 0 HG3 PRO A 74 18.935 21.823 1.336 1.00 1.00 H new ATOM 0 HD2 PRO A 74 16.262 22.170 0.473 1.00 1.00 H new ATOM 0 HD3 PRO A 74 16.945 20.662 1.048 1.00 1.00 H new ATOM 683 N ALA A 75 16.606 24.894 4.496 1.00 1.00 N ATOM 684 CA ALA A 75 16.133 26.267 4.629 1.00 1.00 C ATOM 685 C ALA A 75 16.159 26.980 3.283 1.00 1.00 C ATOM 686 O ALA A 75 15.186 27.625 2.896 1.00 1.00 O ATOM 687 CB ALA A 75 17.018 27.025 5.614 1.00 1.00 C ATOM 0 H ALA A 75 17.376 24.646 5.118 1.00 1.00 H new ATOM 0 HA ALA A 75 15.107 26.241 4.996 1.00 1.00 H new ATOM 0 HB1 ALA A 75 16.660 28.050 5.710 1.00 1.00 H new ATOM 0 HB2 ALA A 75 16.981 26.535 6.587 1.00 1.00 H new ATOM 0 HB3 ALA A 75 18.045 27.032 5.250 1.00 1.00 H new ATOM 693 N GLN A 76 17.276 26.862 2.575 1.00 1.00 N ATOM 694 CA GLN A 76 17.413 27.504 1.273 1.00 1.00 C ATOM 695 C GLN A 76 16.413 26.917 0.285 1.00 1.00 C ATOM 696 O GLN A 76 16.114 27.520 -0.746 1.00 1.00 O ATOM 697 CB GLN A 76 18.836 27.315 0.743 1.00 1.00 C ATOM 698 CG GLN A 76 19.169 25.826 0.697 1.00 1.00 C ATOM 699 CD GLN A 76 20.618 25.623 0.268 1.00 1.00 C ATOM 700 OE1 GLN A 76 21.299 26.584 -0.091 1.00 1.00 O ATOM 701 NE2 GLN A 76 21.135 24.424 0.289 1.00 1.00 N ATOM 0 H GLN A 76 18.094 26.332 2.877 1.00 1.00 H new ATOM 0 HA GLN A 76 17.212 28.569 1.387 1.00 1.00 H new ATOM 0 HB2 GLN A 76 18.925 27.749 -0.253 1.00 1.00 H new ATOM 0 HB3 GLN A 76 19.546 27.838 1.384 1.00 1.00 H new ATOM 0 HG2 GLN A 76 19.007 25.379 1.678 1.00 1.00 H new ATOM 0 HG3 GLN A 76 18.502 25.318 0.001 1.00 1.00 H new ATOM 0 HE21 GLN A 76 20.569 23.630 0.587 1.00 1.00 H new ATOM 0 HE22 GLN A 76 22.105 24.282 0.008 1.00 1.00 H new ATOM 710 N GLY A 77 15.905 25.737 0.605 1.00 1.00 N ATOM 711 CA GLY A 77 14.942 25.072 -0.260 1.00 1.00 C ATOM 712 C GLY A 77 13.534 25.633 -0.050 1.00 1.00 C ATOM 713 O GLY A 77 13.371 26.753 0.431 1.00 1.00 O ATOM 0 H GLY A 77 16.142 25.222 1.453 1.00 1.00 H new ATOM 0 HA2 GLY A 77 15.236 25.199 -1.302 1.00 1.00 H new ATOM 0 HA3 GLY A 77 14.944 24.001 -0.056 1.00 1.00 H new ATOM 717 N PRO A 78 12.520 24.884 -0.408 1.00 1.00 N ATOM 718 CA PRO A 78 11.101 25.327 -0.249 1.00 1.00 C ATOM 719 C PRO A 78 10.821 25.891 1.136 1.00 1.00 C ATOM 720 O PRO A 78 10.186 26.936 1.277 1.00 1.00 O ATOM 721 CB PRO A 78 10.300 24.037 -0.488 1.00 1.00 C ATOM 722 CG PRO A 78 11.167 23.196 -1.373 1.00 1.00 C ATOM 723 CD PRO A 78 12.613 23.540 -1.003 1.00 1.00 C ATOM 0 HA PRO A 78 10.843 26.135 -0.934 1.00 1.00 H new ATOM 0 HB2 PRO A 78 10.084 23.528 0.451 1.00 1.00 H new ATOM 0 HB3 PRO A 78 9.342 24.250 -0.962 1.00 1.00 H new ATOM 0 HG2 PRO A 78 10.967 22.135 -1.220 1.00 1.00 H new ATOM 0 HG3 PRO A 78 10.973 23.408 -2.424 1.00 1.00 H new ATOM 0 HD2 PRO A 78 13.026 22.819 -0.298 1.00 1.00 H new ATOM 0 HD3 PRO A 78 13.261 23.536 -1.880 1.00 1.00 H new ATOM 731 N GLY A 79 11.301 25.203 2.159 1.00 1.00 N ATOM 732 CA GLY A 79 11.090 25.664 3.521 1.00 1.00 C ATOM 733 C GLY A 79 11.186 24.523 4.502 1.00 1.00 C ATOM 734 O GLY A 79 11.830 24.670 5.531 1.00 1.00 O ATOM 0 H GLY A 79 11.832 24.336 2.075 1.00 1.00 H new ATOM 0 HA2 GLY A 79 11.830 26.424 3.770 1.00 1.00 H new ATOM 0 HA3 GLY A 79 10.110 26.135 3.601 1.00 1.00 H new ATOM 738 N VAL A 80 10.551 23.387 4.168 1.00 1.00 N ATOM 739 CA VAL A 80 10.566 22.197 5.028 1.00 1.00 C ATOM 740 C VAL A 80 9.502 22.318 6.110 1.00 1.00 C ATOM 741 O VAL A 80 8.973 23.398 6.347 1.00 1.00 O ATOM 742 CB VAL A 80 11.968 22.011 5.686 1.00 1.00 C ATOM 743 CG1 VAL A 80 11.987 22.511 7.159 1.00 1.00 C ATOM 744 CG2 VAL A 80 12.356 20.527 5.677 1.00 1.00 C ATOM 0 H VAL A 80 10.020 23.270 3.305 1.00 1.00 H new ATOM 0 HA VAL A 80 10.352 21.325 4.410 1.00 1.00 H new ATOM 0 HB VAL A 80 12.677 22.601 5.105 1.00 1.00 H new ATOM 0 HG11 VAL A 80 12.981 22.364 7.580 1.00 1.00 H new ATOM 0 HG12 VAL A 80 11.735 23.571 7.187 1.00 1.00 H new ATOM 0 HG13 VAL A 80 11.258 21.949 7.743 1.00 1.00 H new ATOM 0 HG21 VAL A 80 13.336 20.404 6.138 1.00 1.00 H new ATOM 0 HG22 VAL A 80 11.617 19.954 6.238 1.00 1.00 H new ATOM 0 HG23 VAL A 80 12.391 20.166 4.649 1.00 1.00 H new ATOM 754 N THR A 81 9.214 21.214 6.788 1.00 1.00 N ATOM 755 CA THR A 81 8.238 21.233 7.868 1.00 1.00 C ATOM 756 C THR A 81 8.642 20.261 8.967 1.00 1.00 C ATOM 757 O THR A 81 8.415 20.519 10.145 1.00 1.00 O ATOM 758 CB THR A 81 6.866 20.849 7.337 1.00 1.00 C ATOM 759 OG1 THR A 81 6.070 20.357 8.405 1.00 1.00 O ATOM 760 CG2 THR A 81 7.023 19.764 6.271 1.00 1.00 C ATOM 0 H THR A 81 9.638 20.303 6.611 1.00 1.00 H new ATOM 0 HA THR A 81 8.201 22.242 8.279 1.00 1.00 H new ATOM 0 HB THR A 81 6.383 21.722 6.898 1.00 1.00 H new ATOM 0 HG1 THR A 81 5.184 20.110 8.066 1.00 1.00 H new ATOM 0 HG21 THR A 81 6.041 19.486 5.888 1.00 1.00 H new ATOM 0 HG22 THR A 81 7.638 20.143 5.454 1.00 1.00 H new ATOM 0 HG23 THR A 81 7.502 18.889 6.710 1.00 1.00 H new ATOM 768 N HIS A 82 9.236 19.141 8.575 1.00 1.00 N ATOM 769 CA HIS A 82 9.659 18.120 9.541 1.00 1.00 C ATOM 770 C HIS A 82 11.165 17.924 9.526 1.00 1.00 C ATOM 771 O HIS A 82 11.791 17.997 8.470 1.00 1.00 O ATOM 772 CB HIS A 82 8.989 16.786 9.210 1.00 1.00 C ATOM 773 CG HIS A 82 7.497 16.936 9.300 1.00 1.00 C ATOM 774 ND1 HIS A 82 6.660 16.646 8.233 1.00 1.00 N ATOM 775 CD2 HIS A 82 6.675 17.346 10.320 1.00 1.00 C ATOM 776 CE1 HIS A 82 5.397 16.885 8.632 1.00 1.00 C ATOM 777 NE2 HIS A 82 5.350 17.313 9.897 1.00 1.00 N ATOM 0 H HIS A 82 9.438 18.912 7.602 1.00 1.00 H new ATOM 0 HA HIS A 82 9.362 18.463 10.532 1.00 1.00 H new ATOM 0 HB2 HIS A 82 9.273 16.464 8.208 1.00 1.00 H new ATOM 0 HB3 HIS A 82 9.330 16.015 9.901 1.00 1.00 H new ATOM 0 HD2 HIS A 82 7.007 17.648 11.302 1.00 1.00 H new ATOM 0 HE1 HIS A 82 4.528 16.748 8.006 1.00 1.00 H new ATOM 0 HE2 HIS A 82 4.521 17.562 10.437 1.00 1.00 H new ATOM 786 N ILE A 83 11.741 17.667 10.705 1.00 1.00 N ATOM 787 CA ILE A 83 13.187 17.436 10.794 1.00 1.00 C ATOM 788 C ILE A 83 13.488 16.185 11.610 1.00 1.00 C ATOM 789 O ILE A 83 13.258 16.154 12.817 1.00 1.00 O ATOM 790 CB ILE A 83 13.864 18.632 11.442 1.00 1.00 C ATOM 791 CG1 ILE A 83 13.485 19.908 10.677 1.00 1.00 C ATOM 792 CG2 ILE A 83 15.388 18.438 11.405 1.00 1.00 C ATOM 793 CD1 ILE A 83 14.085 21.135 11.374 1.00 1.00 C ATOM 0 H ILE A 83 11.242 17.614 11.593 1.00 1.00 H new ATOM 0 HA ILE A 83 13.571 17.297 9.783 1.00 1.00 H new ATOM 0 HB ILE A 83 13.537 18.722 12.478 1.00 1.00 H new ATOM 0 HG12 ILE A 83 13.848 19.848 9.651 1.00 1.00 H new ATOM 0 HG13 ILE A 83 12.400 20.003 10.626 1.00 1.00 H new ATOM 0 HG21 ILE A 83 15.875 19.295 11.870 1.00 1.00 H new ATOM 0 HG22 ILE A 83 15.653 17.531 11.949 1.00 1.00 H new ATOM 0 HG23 ILE A 83 15.719 18.350 10.370 1.00 1.00 H new ATOM 0 HD11 ILE A 83 13.811 22.036 10.825 1.00 1.00 H new ATOM 0 HD12 ILE A 83 13.700 21.200 12.392 1.00 1.00 H new ATOM 0 HD13 ILE A 83 15.171 21.043 11.402 1.00 1.00 H new ATOM 805 N VAL A 84 14.013 15.158 10.945 1.00 1.00 N ATOM 806 CA VAL A 84 14.352 13.908 11.620 1.00 1.00 C ATOM 807 C VAL A 84 15.787 13.961 12.118 1.00 1.00 C ATOM 808 O VAL A 84 16.704 14.269 11.358 1.00 1.00 O ATOM 809 CB VAL A 84 14.179 12.731 10.660 1.00 1.00 C ATOM 810 CG1 VAL A 84 14.280 11.421 11.444 1.00 1.00 C ATOM 811 CG2 VAL A 84 12.801 12.823 9.998 1.00 1.00 C ATOM 0 H VAL A 84 14.212 15.167 9.945 1.00 1.00 H new ATOM 0 HA VAL A 84 13.684 13.773 12.471 1.00 1.00 H new ATOM 0 HB VAL A 84 14.956 12.759 9.896 1.00 1.00 H new ATOM 0 HG11 VAL A 84 14.157 10.579 10.763 1.00 1.00 H new ATOM 0 HG12 VAL A 84 15.256 11.359 11.925 1.00 1.00 H new ATOM 0 HG13 VAL A 84 13.499 11.390 12.203 1.00 1.00 H new ATOM 0 HG21 VAL A 84 12.671 11.986 9.312 1.00 1.00 H new ATOM 0 HG22 VAL A 84 12.026 12.788 10.764 1.00 1.00 H new ATOM 0 HG23 VAL A 84 12.724 13.760 9.447 1.00 1.00 H new ATOM 821 N VAL A 85 15.975 13.671 13.403 1.00 1.00 N ATOM 822 CA VAL A 85 17.307 13.699 14.009 1.00 1.00 C ATOM 823 C VAL A 85 17.550 12.448 14.845 1.00 1.00 C ATOM 824 O VAL A 85 16.621 11.697 15.145 1.00 1.00 O ATOM 825 CB VAL A 85 17.437 14.945 14.890 1.00 1.00 C ATOM 826 CG1 VAL A 85 17.203 16.211 14.035 1.00 1.00 C ATOM 827 CG2 VAL A 85 16.402 14.891 16.031 1.00 1.00 C ATOM 0 H VAL A 85 15.225 13.414 14.045 1.00 1.00 H new ATOM 0 HA VAL A 85 18.052 13.729 13.214 1.00 1.00 H new ATOM 0 HB VAL A 85 18.439 14.977 15.318 1.00 1.00 H new ATOM 0 HG11 VAL A 85 17.296 17.097 14.663 1.00 1.00 H new ATOM 0 HG12 VAL A 85 17.944 16.253 13.237 1.00 1.00 H new ATOM 0 HG13 VAL A 85 16.204 16.177 13.601 1.00 1.00 H new ATOM 0 HG21 VAL A 85 16.500 15.780 16.654 1.00 1.00 H new ATOM 0 HG22 VAL A 85 15.398 14.852 15.610 1.00 1.00 H new ATOM 0 HG23 VAL A 85 16.575 14.002 16.638 1.00 1.00 H new ATOM 837 N ASP A 86 18.806 12.232 15.208 1.00 1.00 N ATOM 838 CA ASP A 86 19.176 11.068 16.003 1.00 1.00 C ATOM 839 C ASP A 86 18.724 11.234 17.443 1.00 1.00 C ATOM 840 O ASP A 86 19.204 10.537 18.334 1.00 1.00 O ATOM 841 CB ASP A 86 20.690 10.860 15.964 1.00 1.00 C ATOM 842 CG ASP A 86 21.392 11.967 16.748 1.00 1.00 C ATOM 843 OD1 ASP A 86 20.716 12.902 17.150 1.00 1.00 O ATOM 844 OD2 ASP A 86 22.591 11.864 16.934 1.00 1.00 O ATOM 0 H ASP A 86 19.585 12.845 14.966 1.00 1.00 H new ATOM 0 HA ASP A 86 18.680 10.196 15.577 1.00 1.00 H new ATOM 0 HB2 ASP A 86 20.942 9.888 16.387 1.00 1.00 H new ATOM 0 HB3 ASP A 86 21.038 10.858 14.931 1.00 1.00 H new ATOM 849 N GLU A 87 17.803 12.159 17.661 1.00 1.00 N ATOM 850 CA GLU A 87 17.278 12.411 19.002 1.00 1.00 C ATOM 851 C GLU A 87 18.292 13.144 19.860 1.00 1.00 C ATOM 852 O GLU A 87 17.932 13.949 20.719 1.00 1.00 O ATOM 853 CB GLU A 87 16.883 11.078 19.673 1.00 1.00 C ATOM 854 CG GLU A 87 16.306 10.089 18.619 1.00 1.00 C ATOM 855 CD GLU A 87 15.198 9.234 19.229 1.00 1.00 C ATOM 856 OE1 GLU A 87 15.162 9.129 20.443 1.00 1.00 O ATOM 857 OE2 GLU A 87 14.410 8.691 18.471 1.00 1.00 O ATOM 0 H GLU A 87 17.402 12.749 16.932 1.00 1.00 H new ATOM 0 HA GLU A 87 16.395 13.043 18.907 1.00 1.00 H new ATOM 0 HB2 GLU A 87 17.753 10.636 20.158 1.00 1.00 H new ATOM 0 HB3 GLU A 87 16.143 11.261 20.452 1.00 1.00 H new ATOM 0 HG2 GLU A 87 15.915 10.645 17.767 1.00 1.00 H new ATOM 0 HG3 GLU A 87 17.102 9.447 18.242 1.00 1.00 H new ATOM 864 N GLY A 88 19.551 12.867 19.606 1.00 1.00 N ATOM 865 CA GLY A 88 20.624 13.500 20.345 1.00 1.00 C ATOM 866 C GLY A 88 20.695 14.980 20.016 1.00 1.00 C ATOM 867 O GLY A 88 21.261 15.764 20.774 1.00 1.00 O ATOM 0 H GLY A 88 19.859 12.207 18.892 1.00 1.00 H new ATOM 0 HA2 GLY A 88 20.465 13.367 21.415 1.00 1.00 H new ATOM 0 HA3 GLY A 88 21.573 13.021 20.102 1.00 1.00 H new ATOM 871 N MET A 89 20.120 15.364 18.876 1.00 1.00 N ATOM 872 CA MET A 89 20.131 16.758 18.465 1.00 1.00 C ATOM 873 C MET A 89 19.020 17.535 19.157 1.00 1.00 C ATOM 874 O MET A 89 18.040 16.952 19.627 1.00 1.00 O ATOM 875 CB MET A 89 19.932 16.843 16.951 1.00 1.00 C ATOM 876 CG MET A 89 20.508 18.166 16.392 1.00 1.00 C ATOM 877 SD MET A 89 21.017 17.924 14.672 1.00 1.00 S ATOM 878 CE MET A 89 22.277 16.660 14.972 1.00 1.00 C ATOM 0 H MET A 89 19.647 14.732 18.230 1.00 1.00 H new ATOM 0 HA MET A 89 21.091 17.193 18.744 1.00 1.00 H new ATOM 0 HB2 MET A 89 20.420 15.996 16.468 1.00 1.00 H new ATOM 0 HB3 MET A 89 18.870 16.776 16.715 1.00 1.00 H new ATOM 0 HG2 MET A 89 19.759 18.956 16.453 1.00 1.00 H new ATOM 0 HG3 MET A 89 21.359 18.487 16.993 1.00 1.00 H new ATOM 0 HE1 MET A 89 22.999 16.665 14.155 1.00 1.00 H new ATOM 0 HE2 MET A 89 22.789 16.872 15.911 1.00 1.00 H new ATOM 0 HE3 MET A 89 21.803 15.680 15.031 1.00 1.00 H new ATOM 888 N ASP A 90 19.171 18.855 19.191 1.00 1.00 N ATOM 889 CA ASP A 90 18.172 19.726 19.807 1.00 1.00 C ATOM 890 C ASP A 90 17.514 20.591 18.744 1.00 1.00 C ATOM 891 O ASP A 90 18.166 21.050 17.806 1.00 1.00 O ATOM 892 CB ASP A 90 18.827 20.613 20.870 1.00 1.00 C ATOM 893 CG ASP A 90 19.338 19.746 22.016 1.00 1.00 C ATOM 894 OD1 ASP A 90 18.821 18.653 22.181 1.00 1.00 O ATOM 895 OD2 ASP A 90 20.233 20.190 22.715 1.00 1.00 O ATOM 0 H ASP A 90 19.975 19.346 18.800 1.00 1.00 H new ATOM 0 HA ASP A 90 17.412 19.108 20.285 1.00 1.00 H new ATOM 0 HB2 ASP A 90 19.651 21.176 20.431 1.00 1.00 H new ATOM 0 HB3 ASP A 90 18.107 21.341 21.244 1.00 1.00 H new ATOM 900 N TYR A 91 16.216 20.810 18.893 1.00 1.00 N ATOM 901 CA TYR A 91 15.479 21.616 17.933 1.00 1.00 C ATOM 902 C TYR A 91 16.243 22.904 17.616 1.00 1.00 C ATOM 903 O TYR A 91 16.477 23.229 16.456 1.00 1.00 O ATOM 904 CB TYR A 91 14.084 21.958 18.515 1.00 1.00 C ATOM 905 CG TYR A 91 13.884 23.462 18.542 1.00 1.00 C ATOM 906 CD1 TYR A 91 13.634 24.152 17.358 1.00 1.00 C ATOM 907 CD2 TYR A 91 13.981 24.155 19.743 1.00 1.00 C ATOM 908 CE1 TYR A 91 13.473 25.542 17.372 1.00 1.00 C ATOM 909 CE2 TYR A 91 13.817 25.546 19.766 1.00 1.00 C ATOM 910 CZ TYR A 91 13.561 26.240 18.579 1.00 1.00 C ATOM 911 OH TYR A 91 13.405 27.613 18.600 1.00 1.00 O ATOM 0 H TYR A 91 15.656 20.444 19.663 1.00 1.00 H new ATOM 0 HA TYR A 91 15.361 21.050 17.009 1.00 1.00 H new ATOM 0 HB2 TYR A 91 13.305 21.491 17.912 1.00 1.00 H new ATOM 0 HB3 TYR A 91 13.993 21.553 19.523 1.00 1.00 H new ATOM 0 HD1 TYR A 91 13.564 23.612 16.425 1.00 1.00 H new ATOM 0 HD2 TYR A 91 14.183 23.620 20.659 1.00 1.00 H new ATOM 0 HE1 TYR A 91 13.281 26.074 16.452 1.00 1.00 H new ATOM 0 HE2 TYR A 91 13.888 26.083 20.701 1.00 1.00 H new ATOM 0 HH TYR A 91 13.495 27.938 19.520 1.00 1.00 H new ATOM 921 N GLU A 92 16.602 23.638 18.662 1.00 1.00 N ATOM 922 CA GLU A 92 17.309 24.896 18.486 1.00 1.00 C ATOM 923 C GLU A 92 18.531 24.706 17.591 1.00 1.00 C ATOM 924 O GLU A 92 18.850 25.568 16.770 1.00 1.00 O ATOM 925 CB GLU A 92 17.743 25.441 19.847 1.00 1.00 C ATOM 926 CG GLU A 92 18.773 24.495 20.469 1.00 1.00 C ATOM 927 CD GLU A 92 19.061 24.909 21.907 1.00 1.00 C ATOM 928 OE1 GLU A 92 19.113 26.100 22.161 1.00 1.00 O ATOM 929 OE2 GLU A 92 19.224 24.026 22.733 1.00 1.00 O ATOM 0 H GLU A 92 16.416 23.385 19.633 1.00 1.00 H new ATOM 0 HA GLU A 92 16.636 25.608 18.008 1.00 1.00 H new ATOM 0 HB2 GLU A 92 18.170 26.437 19.733 1.00 1.00 H new ATOM 0 HB3 GLU A 92 16.879 25.538 20.504 1.00 1.00 H new ATOM 0 HG2 GLU A 92 18.400 23.471 20.445 1.00 1.00 H new ATOM 0 HG3 GLU A 92 19.694 24.513 19.886 1.00 1.00 H new ATOM 936 N ARG A 93 19.206 23.574 17.758 1.00 1.00 N ATOM 937 CA ARG A 93 20.385 23.267 16.960 1.00 1.00 C ATOM 938 C ARG A 93 19.986 22.732 15.588 1.00 1.00 C ATOM 939 O ARG A 93 20.768 22.784 14.639 1.00 1.00 O ATOM 940 CB ARG A 93 21.243 22.238 17.674 1.00 1.00 C ATOM 941 CG ARG A 93 22.525 22.006 16.868 1.00 1.00 C ATOM 942 CD ARG A 93 23.408 21.040 17.624 1.00 1.00 C ATOM 943 NE ARG A 93 24.653 20.799 16.890 1.00 1.00 N ATOM 944 CZ ARG A 93 24.734 19.852 15.955 1.00 1.00 C ATOM 945 NH1 ARG A 93 23.696 19.110 15.688 1.00 1.00 N ATOM 946 NH2 ARG A 93 25.852 19.668 15.303 1.00 1.00 N ATOM 0 H ARG A 93 18.957 22.856 18.438 1.00 1.00 H new ATOM 0 HA ARG A 93 20.954 24.187 16.826 1.00 1.00 H new ATOM 0 HB2 ARG A 93 21.488 22.585 18.678 1.00 1.00 H new ATOM 0 HB3 ARG A 93 20.694 21.303 17.785 1.00 1.00 H new ATOM 0 HG2 ARG A 93 22.284 21.606 15.883 1.00 1.00 H new ATOM 0 HG3 ARG A 93 23.047 22.950 16.710 1.00 1.00 H new ATOM 0 HD2 ARG A 93 23.634 21.441 18.612 1.00 1.00 H new ATOM 0 HD3 ARG A 93 22.880 20.098 17.775 1.00 1.00 H new ATOM 0 HE ARG A 93 25.474 21.367 17.099 1.00 1.00 H new ATOM 0 HH11 ARG A 93 22.822 19.254 16.194 1.00 1.00 H new ATOM 0 HH12 ARG A 93 23.757 18.385 14.973 1.00 1.00 H new ATOM 0 HH21 ARG A 93 26.664 20.249 15.509 1.00 1.00 H new ATOM 0 HH22 ARG A 93 25.912 18.943 14.588 1.00 1.00 H new ATOM 960 N ALA A 94 18.769 22.207 15.485 1.00 1.00 N ATOM 961 CA ALA A 94 18.308 21.656 14.223 1.00 1.00 C ATOM 962 C ALA A 94 18.321 22.713 13.116 1.00 1.00 C ATOM 963 O ALA A 94 18.640 22.417 11.971 1.00 1.00 O ATOM 964 CB ALA A 94 16.896 21.106 14.388 1.00 1.00 C ATOM 0 H ALA A 94 18.096 22.153 16.249 1.00 1.00 H new ATOM 0 HA ALA A 94 18.987 20.854 13.936 1.00 1.00 H new ATOM 0 HB1 ALA A 94 16.553 20.693 13.439 1.00 1.00 H new ATOM 0 HB2 ALA A 94 16.897 20.322 15.145 1.00 1.00 H new ATOM 0 HB3 ALA A 94 16.227 21.909 14.698 1.00 1.00 H new ATOM 970 N LEU A 95 17.978 23.939 13.461 1.00 1.00 N ATOM 971 CA LEU A 95 17.951 25.015 12.479 1.00 1.00 C ATOM 972 C LEU A 95 19.337 25.218 11.878 1.00 1.00 C ATOM 973 O LEU A 95 19.466 25.487 10.688 1.00 1.00 O ATOM 974 CB LEU A 95 17.483 26.312 13.160 1.00 1.00 C ATOM 975 CG LEU A 95 15.958 26.317 13.289 1.00 1.00 C ATOM 976 CD1 LEU A 95 15.490 25.011 13.929 1.00 1.00 C ATOM 977 CD2 LEU A 95 15.532 27.487 14.170 1.00 1.00 C ATOM 0 H LEU A 95 17.715 24.218 14.406 1.00 1.00 H new ATOM 0 HA LEU A 95 17.260 24.751 11.678 1.00 1.00 H new ATOM 0 HB2 LEU A 95 17.939 26.400 14.146 1.00 1.00 H new ATOM 0 HB3 LEU A 95 17.810 27.175 12.580 1.00 1.00 H new ATOM 0 HG LEU A 95 15.512 26.416 12.299 1.00 1.00 H new ATOM 0 HD11 LEU A 95 14.404 25.019 14.019 1.00 1.00 H new ATOM 0 HD12 LEU A 95 15.797 24.170 13.306 1.00 1.00 H new ATOM 0 HD13 LEU A 95 15.935 24.911 14.919 1.00 1.00 H new ATOM 0 HD21 LEU A 95 14.446 27.495 14.265 1.00 1.00 H new ATOM 0 HD22 LEU A 95 15.982 27.382 15.157 1.00 1.00 H new ATOM 0 HD23 LEU A 95 15.863 28.422 13.718 1.00 1.00 H new ATOM 989 N ARG A 96 20.364 25.090 12.703 1.00 1.00 N ATOM 990 CA ARG A 96 21.731 25.267 12.229 1.00 1.00 C ATOM 991 C ARG A 96 22.069 24.229 11.164 1.00 1.00 C ATOM 992 O ARG A 96 22.788 24.518 10.209 1.00 1.00 O ATOM 993 CB ARG A 96 22.709 25.142 13.395 1.00 1.00 C ATOM 994 CG ARG A 96 22.561 26.354 14.314 1.00 1.00 C ATOM 995 CD ARG A 96 23.471 26.182 15.531 1.00 1.00 C ATOM 996 NE ARG A 96 24.868 26.152 15.116 1.00 1.00 N ATOM 997 CZ ARG A 96 25.836 25.866 15.980 1.00 1.00 C ATOM 998 NH1 ARG A 96 25.543 25.606 17.225 1.00 1.00 N ATOM 999 NH2 ARG A 96 27.079 25.847 15.584 1.00 1.00 N ATOM 0 H ARG A 96 20.281 24.866 13.695 1.00 1.00 H new ATOM 0 HA ARG A 96 21.816 26.261 11.790 1.00 1.00 H new ATOM 0 HB2 ARG A 96 22.514 24.225 13.951 1.00 1.00 H new ATOM 0 HB3 ARG A 96 23.731 25.078 13.022 1.00 1.00 H new ATOM 0 HG2 ARG A 96 22.822 27.266 13.777 1.00 1.00 H new ATOM 0 HG3 ARG A 96 21.524 26.458 14.633 1.00 1.00 H new ATOM 0 HD2 ARG A 96 23.310 27.000 16.233 1.00 1.00 H new ATOM 0 HD3 ARG A 96 23.220 25.259 16.054 1.00 1.00 H new ATOM 0 HE ARG A 96 25.107 26.354 14.145 1.00 1.00 H new ATOM 0 HH11 ARG A 96 24.571 25.622 17.534 1.00 1.00 H new ATOM 0 HH12 ARG A 96 26.286 25.386 17.889 1.00 1.00 H new ATOM 0 HH21 ARG A 96 27.308 26.052 14.611 1.00 1.00 H new ATOM 0 HH22 ARG A 96 27.822 25.627 16.247 1.00 1.00 H new ATOM 1013 N LEU A 97 21.543 23.025 11.330 1.00 1.00 N ATOM 1014 CA LEU A 97 21.800 21.951 10.375 1.00 1.00 C ATOM 1015 C LEU A 97 21.266 22.306 8.998 1.00 1.00 C ATOM 1016 O LEU A 97 21.908 22.030 7.986 1.00 1.00 O ATOM 1017 CB LEU A 97 21.159 20.640 10.884 1.00 1.00 C ATOM 1018 CG LEU A 97 22.174 19.858 11.713 1.00 1.00 C ATOM 1019 CD1 LEU A 97 23.288 19.301 10.782 1.00 1.00 C ATOM 1020 CD2 LEU A 97 22.774 20.772 12.806 1.00 1.00 C ATOM 0 H LEU A 97 20.939 22.765 12.110 1.00 1.00 H new ATOM 0 HA LEU A 97 22.878 21.813 10.287 1.00 1.00 H new ATOM 0 HB2 LEU A 97 20.279 20.864 11.487 1.00 1.00 H new ATOM 0 HB3 LEU A 97 20.823 20.037 10.040 1.00 1.00 H new ATOM 0 HG LEU A 97 21.679 19.019 12.203 1.00 1.00 H new ATOM 0 HD11 LEU A 97 24.012 18.743 11.375 1.00 1.00 H new ATOM 0 HD12 LEU A 97 22.843 18.641 10.037 1.00 1.00 H new ATOM 0 HD13 LEU A 97 23.790 20.128 10.280 1.00 1.00 H new ATOM 0 HD21 LEU A 97 23.498 20.208 13.395 1.00 1.00 H new ATOM 0 HD22 LEU A 97 23.270 21.622 12.337 1.00 1.00 H new ATOM 0 HD23 LEU A 97 21.977 21.131 13.458 1.00 1.00 H new ATOM 1032 N LEU A 98 20.097 22.909 8.967 1.00 1.00 N ATOM 1033 CA LEU A 98 19.475 23.297 7.707 1.00 1.00 C ATOM 1034 C LEU A 98 19.511 24.805 7.548 1.00 1.00 C ATOM 1035 O LEU A 98 18.905 25.344 6.632 1.00 1.00 O ATOM 1036 CB LEU A 98 18.013 22.811 7.666 1.00 1.00 C ATOM 1037 CG LEU A 98 17.437 22.701 9.104 1.00 1.00 C ATOM 1038 CD1 LEU A 98 15.910 22.919 9.090 1.00 1.00 C ATOM 1039 CD2 LEU A 98 17.743 21.296 9.679 1.00 1.00 C ATOM 0 H LEU A 98 19.553 23.144 9.797 1.00 1.00 H new ATOM 0 HA LEU A 98 20.030 22.837 6.890 1.00 1.00 H new ATOM 0 HB2 LEU A 98 17.410 23.503 7.078 1.00 1.00 H new ATOM 0 HB3 LEU A 98 17.959 21.841 7.171 1.00 1.00 H new ATOM 0 HG LEU A 98 17.901 23.467 9.725 1.00 1.00 H new ATOM 0 HD11 LEU A 98 15.522 22.839 10.105 1.00 1.00 H new ATOM 0 HD12 LEU A 98 15.688 23.910 8.694 1.00 1.00 H new ATOM 0 HD13 LEU A 98 15.440 22.163 8.461 1.00 1.00 H new ATOM 0 HD21 LEU A 98 17.338 21.220 10.688 1.00 1.00 H new ATOM 0 HD22 LEU A 98 17.285 20.536 9.046 1.00 1.00 H new ATOM 0 HD23 LEU A 98 18.822 21.142 9.708 1.00 1.00 H new ATOM 1051 N ARG A 99 20.229 25.478 8.438 1.00 1.00 N ATOM 1052 CA ARG A 99 20.328 26.927 8.379 1.00 1.00 C ATOM 1053 C ARG A 99 18.969 27.549 8.163 1.00 1.00 C ATOM 1054 O ARG A 99 18.761 28.277 7.190 1.00 1.00 O ATOM 1055 CB ARG A 99 21.264 27.348 7.249 1.00 1.00 C ATOM 1056 CG ARG A 99 22.662 26.714 7.466 1.00 1.00 C ATOM 1057 CD ARG A 99 22.794 25.437 6.635 1.00 1.00 C ATOM 1058 NE ARG A 99 24.036 24.755 6.953 1.00 1.00 N ATOM 1059 CZ ARG A 99 24.263 23.523 6.521 1.00 1.00 C ATOM 1060 NH1 ARG A 99 23.364 22.905 5.802 1.00 1.00 N ATOM 1061 NH2 ARG A 99 25.382 22.928 6.819 1.00 1.00 N ATOM 0 H ARG A 99 20.747 25.046 9.203 1.00 1.00 H new ATOM 0 HA ARG A 99 20.729 27.276 9.331 1.00 1.00 H new ATOM 0 HB2 ARG A 99 20.856 27.032 6.289 1.00 1.00 H new ATOM 0 HB3 ARG A 99 21.347 28.434 7.218 1.00 1.00 H new ATOM 0 HG2 ARG A 99 23.440 27.423 7.183 1.00 1.00 H new ATOM 0 HG3 ARG A 99 22.807 26.487 8.522 1.00 1.00 H new ATOM 0 HD2 ARG A 99 21.949 24.778 6.832 1.00 1.00 H new ATOM 0 HD3 ARG A 99 22.767 25.682 5.573 1.00 1.00 H new ATOM 0 HE ARG A 99 24.742 25.230 7.516 1.00 1.00 H new ATOM 0 HH11 ARG A 99 22.486 23.371 5.573 1.00 1.00 H new ATOM 0 HH12 ARG A 99 23.540 21.957 5.470 1.00 1.00 H new ATOM 0 HH21 ARG A 99 26.081 23.410 7.384 1.00 1.00 H new ATOM 0 HH22 ARG A 99 25.559 21.980 6.488 1.00 1.00 H new ATOM 1075 N LEU A 100 18.037 27.270 9.079 1.00 1.00 N ATOM 1076 CA LEU A 100 16.693 27.827 8.971 1.00 1.00 C ATOM 1077 C LEU A 100 16.469 28.882 10.062 1.00 1.00 C ATOM 1078 O LEU A 100 16.427 28.554 11.249 1.00 1.00 O ATOM 1079 CB LEU A 100 15.642 26.706 9.077 1.00 1.00 C ATOM 1080 CG LEU A 100 14.478 26.950 8.084 1.00 1.00 C ATOM 1081 CD1 LEU A 100 13.725 25.648 7.839 1.00 1.00 C ATOM 1082 CD2 LEU A 100 13.533 27.997 8.670 1.00 1.00 C ATOM 0 H LEU A 100 18.188 26.671 9.890 1.00 1.00 H new ATOM 0 HA LEU A 100 16.587 28.307 7.998 1.00 1.00 H new ATOM 0 HB2 LEU A 100 16.108 25.743 8.869 1.00 1.00 H new ATOM 0 HB3 LEU A 100 15.254 26.659 10.095 1.00 1.00 H new ATOM 0 HG LEU A 100 14.875 27.309 7.135 1.00 1.00 H new ATOM 0 HD11 LEU A 100 12.908 25.826 7.140 1.00 1.00 H new ATOM 0 HD12 LEU A 100 14.406 24.907 7.420 1.00 1.00 H new ATOM 0 HD13 LEU A 100 13.322 25.278 8.782 1.00 1.00 H new ATOM 0 HD21 LEU A 100 12.711 28.174 7.976 1.00 1.00 H new ATOM 0 HD22 LEU A 100 13.136 27.638 9.619 1.00 1.00 H new ATOM 0 HD23 LEU A 100 14.077 28.927 8.833 1.00 1.00 H new ATOM 1094 N PRO A 101 16.337 30.130 9.690 1.00 1.00 N ATOM 1095 CA PRO A 101 16.118 31.229 10.672 1.00 1.00 C ATOM 1096 C PRO A 101 15.010 30.913 11.673 1.00 1.00 C ATOM 1097 O PRO A 101 15.139 31.192 12.866 1.00 1.00 O ATOM 1098 CB PRO A 101 15.712 32.417 9.791 1.00 1.00 C ATOM 1099 CG PRO A 101 16.298 32.148 8.444 1.00 1.00 C ATOM 1100 CD PRO A 101 16.387 30.638 8.304 1.00 1.00 C ATOM 0 HA PRO A 101 17.005 31.408 11.279 1.00 1.00 H new ATOM 0 HB2 PRO A 101 14.627 32.508 9.734 1.00 1.00 H new ATOM 0 HB3 PRO A 101 16.089 33.354 10.201 1.00 1.00 H new ATOM 0 HG2 PRO A 101 15.675 32.574 7.658 1.00 1.00 H new ATOM 0 HG3 PRO A 101 17.283 32.605 8.352 1.00 1.00 H new ATOM 0 HD2 PRO A 101 15.562 30.246 7.709 1.00 1.00 H new ATOM 0 HD3 PRO A 101 17.310 30.340 7.806 1.00 1.00 H new ATOM 1108 N GLN A 102 13.925 30.334 11.182 1.00 1.00 N ATOM 1109 CA GLN A 102 12.802 29.990 12.054 1.00 1.00 C ATOM 1110 C GLN A 102 11.889 28.970 11.389 1.00 1.00 C ATOM 1111 O GLN A 102 11.461 29.158 10.246 1.00 1.00 O ATOM 1112 CB GLN A 102 12.001 31.242 12.395 1.00 1.00 C ATOM 1113 CG GLN A 102 10.858 30.880 13.345 1.00 1.00 C ATOM 1114 CD GLN A 102 10.130 32.144 13.788 1.00 1.00 C ATOM 1115 OE1 GLN A 102 8.927 32.279 13.563 1.00 1.00 O ATOM 1116 NE2 GLN A 102 10.791 33.087 14.401 1.00 1.00 N ATOM 0 H GLN A 102 13.794 30.093 10.199 1.00 1.00 H new ATOM 0 HA GLN A 102 13.206 29.554 12.968 1.00 1.00 H new ATOM 0 HB2 GLN A 102 12.650 31.986 12.858 1.00 1.00 H new ATOM 0 HB3 GLN A 102 11.602 31.689 11.485 1.00 1.00 H new ATOM 0 HG2 GLN A 102 10.162 30.204 12.849 1.00 1.00 H new ATOM 0 HG3 GLN A 102 11.250 30.352 14.214 1.00 1.00 H new ATOM 0 HE21 GLN A 102 11.788 32.973 14.587 1.00 1.00 H new ATOM 0 HE22 GLN A 102 10.311 33.938 14.695 1.00 1.00 H new ATOM 1125 N LEU A 103 11.599 27.889 12.107 1.00 1.00 N ATOM 1126 CA LEU A 103 10.748 26.843 11.566 1.00 1.00 C ATOM 1127 C LEU A 103 9.427 27.417 11.046 1.00 1.00 C ATOM 1128 O LEU A 103 8.711 28.094 11.786 1.00 1.00 O ATOM 1129 CB LEU A 103 10.457 25.788 12.622 1.00 1.00 C ATOM 1130 CG LEU A 103 11.778 25.290 13.206 1.00 1.00 C ATOM 1131 CD1 LEU A 103 11.485 24.296 14.320 1.00 1.00 C ATOM 1132 CD2 LEU A 103 12.625 24.613 12.107 1.00 1.00 C ATOM 0 H LEU A 103 11.938 27.718 13.054 1.00 1.00 H new ATOM 0 HA LEU A 103 11.283 26.384 10.735 1.00 1.00 H new ATOM 0 HB2 LEU A 103 9.831 26.207 13.410 1.00 1.00 H new ATOM 0 HB3 LEU A 103 9.903 24.958 12.183 1.00 1.00 H new ATOM 0 HG LEU A 103 12.339 26.135 13.605 1.00 1.00 H new ATOM 0 HD11 LEU A 103 12.423 23.936 14.742 1.00 1.00 H new ATOM 0 HD12 LEU A 103 10.900 24.785 15.099 1.00 1.00 H new ATOM 0 HD13 LEU A 103 10.921 23.454 13.918 1.00 1.00 H new ATOM 0 HD21 LEU A 103 13.564 24.262 12.535 1.00 1.00 H new ATOM 0 HD22 LEU A 103 12.076 23.767 11.694 1.00 1.00 H new ATOM 0 HD23 LEU A 103 12.834 25.331 11.314 1.00 1.00 H new ATOM 1144 N PRO A 104 9.086 27.174 9.799 1.00 1.00 N ATOM 1145 CA PRO A 104 7.815 27.684 9.204 1.00 1.00 C ATOM 1146 C PRO A 104 6.596 27.383 10.083 1.00 1.00 C ATOM 1147 O PRO A 104 6.730 26.864 11.194 1.00 1.00 O ATOM 1148 CB PRO A 104 7.720 26.956 7.847 1.00 1.00 C ATOM 1149 CG PRO A 104 9.115 26.552 7.507 1.00 1.00 C ATOM 1150 CD PRO A 104 9.860 26.382 8.825 1.00 1.00 C ATOM 0 HA PRO A 104 7.821 28.769 9.105 1.00 1.00 H new ATOM 0 HB2 PRO A 104 7.066 26.087 7.914 1.00 1.00 H new ATOM 0 HB3 PRO A 104 7.304 27.610 7.080 1.00 1.00 H new ATOM 0 HG2 PRO A 104 9.120 25.622 6.938 1.00 1.00 H new ATOM 0 HG3 PRO A 104 9.596 27.308 6.886 1.00 1.00 H new ATOM 0 HD2 PRO A 104 9.911 25.334 9.119 1.00 1.00 H new ATOM 0 HD3 PRO A 104 10.886 26.742 8.749 1.00 1.00 H new ATOM 1158 N PRO A 105 5.413 27.690 9.602 1.00 1.00 N ATOM 1159 CA PRO A 105 4.147 27.443 10.354 1.00 1.00 C ATOM 1160 C PRO A 105 3.975 25.969 10.711 1.00 1.00 C ATOM 1161 O PRO A 105 4.078 25.092 9.853 1.00 1.00 O ATOM 1162 CB PRO A 105 3.042 27.911 9.379 1.00 1.00 C ATOM 1163 CG PRO A 105 3.729 28.838 8.428 1.00 1.00 C ATOM 1164 CD PRO A 105 5.146 28.306 8.293 1.00 1.00 C ATOM 0 HA PRO A 105 4.125 27.970 11.308 1.00 1.00 H new ATOM 0 HB2 PRO A 105 2.596 27.066 8.854 1.00 1.00 H new ATOM 0 HB3 PRO A 105 2.236 28.417 9.910 1.00 1.00 H new ATOM 0 HG2 PRO A 105 3.223 28.855 7.463 1.00 1.00 H new ATOM 0 HG3 PRO A 105 3.728 29.860 8.807 1.00 1.00 H new ATOM 0 HD2 PRO A 105 5.226 27.579 7.485 1.00 1.00 H new ATOM 0 HD3 PRO A 105 5.855 29.105 8.074 1.00 1.00 H new ATOM 1172 N GLY A 106 3.698 25.708 11.979 1.00 1.00 N ATOM 1173 CA GLY A 106 3.500 24.349 12.434 1.00 1.00 C ATOM 1174 C GLY A 106 4.808 23.601 12.467 1.00 1.00 C ATOM 1175 O GLY A 106 5.142 23.038 13.502 1.00 1.00 O ATOM 0 H GLY A 106 3.606 26.418 12.705 1.00 1.00 H new ATOM 0 HA2 GLY A 106 3.054 24.355 13.428 1.00 1.00 H new ATOM 0 HA3 GLY A 106 2.800 23.838 11.773 1.00 1.00 H new ATOM 1179 N ALA A 107 5.540 23.601 11.330 1.00 1.00 N ATOM 1180 CA ALA A 107 6.844 22.910 11.211 1.00 1.00 C ATOM 1181 C ALA A 107 7.315 22.387 12.562 1.00 1.00 C ATOM 1182 O ALA A 107 7.548 23.167 13.484 1.00 1.00 O ATOM 1183 CB ALA A 107 7.887 23.868 10.642 1.00 1.00 C ATOM 0 H ALA A 107 5.247 24.076 10.476 1.00 1.00 H new ATOM 0 HA ALA A 107 6.718 22.061 10.539 1.00 1.00 H new ATOM 0 HB1 ALA A 107 8.845 23.354 10.557 1.00 1.00 H new ATOM 0 HB2 ALA A 107 7.569 24.209 9.657 1.00 1.00 H new ATOM 0 HB3 ALA A 107 7.993 24.726 11.306 1.00 1.00 H new ATOM 1189 N GLN A 108 7.428 21.068 12.683 1.00 1.00 N ATOM 1190 CA GLN A 108 7.843 20.447 13.949 1.00 1.00 C ATOM 1191 C GLN A 108 9.003 19.501 13.718 1.00 1.00 C ATOM 1192 O GLN A 108 9.053 18.813 12.712 1.00 1.00 O ATOM 1193 CB GLN A 108 6.675 19.664 14.561 1.00 1.00 C ATOM 1194 CG GLN A 108 5.453 20.561 14.641 1.00 1.00 C ATOM 1195 CD GLN A 108 4.359 19.895 15.473 1.00 1.00 C ATOM 1196 OE1 GLN A 108 3.241 19.697 14.994 1.00 1.00 O ATOM 1197 NE2 GLN A 108 4.616 19.538 16.701 1.00 1.00 N ATOM 0 H GLN A 108 7.241 20.407 11.929 1.00 1.00 H new ATOM 0 HA GLN A 108 8.152 21.239 14.632 1.00 1.00 H new ATOM 0 HB2 GLN A 108 6.455 18.785 13.955 1.00 1.00 H new ATOM 0 HB3 GLN A 108 6.943 19.307 15.555 1.00 1.00 H new ATOM 0 HG2 GLN A 108 5.725 21.518 15.085 1.00 1.00 H new ATOM 0 HG3 GLN A 108 5.080 20.769 13.638 1.00 1.00 H new ATOM 0 HE21 GLN A 108 5.542 19.702 17.097 1.00 1.00 H new ATOM 0 HE22 GLN A 108 3.891 19.095 17.265 1.00 1.00 H new ATOM 1206 N LEU A 109 9.929 19.470 14.667 1.00 1.00 N ATOM 1207 CA LEU A 109 11.100 18.606 14.555 1.00 1.00 C ATOM 1208 C LEU A 109 10.828 17.297 15.243 1.00 1.00 C ATOM 1209 O LEU A 109 10.523 17.256 16.430 1.00 1.00 O ATOM 1210 CB LEU A 109 12.323 19.303 15.178 1.00 1.00 C ATOM 1211 CG LEU A 109 12.216 20.833 14.954 1.00 1.00 C ATOM 1212 CD1 LEU A 109 11.792 21.175 13.500 1.00 1.00 C ATOM 1213 CD2 LEU A 109 11.220 21.476 15.973 1.00 1.00 C ATOM 0 H LEU A 109 9.894 20.029 15.519 1.00 1.00 H new ATOM 0 HA LEU A 109 11.311 18.411 13.504 1.00 1.00 H new ATOM 0 HB2 LEU A 109 12.376 19.084 16.244 1.00 1.00 H new ATOM 0 HB3 LEU A 109 13.240 18.922 14.728 1.00 1.00 H new ATOM 0 HG LEU A 109 13.208 21.252 15.119 1.00 1.00 H new ATOM 0 HD11 LEU A 109 11.729 22.257 13.384 1.00 1.00 H new ATOM 0 HD12 LEU A 109 12.530 20.778 12.803 1.00 1.00 H new ATOM 0 HD13 LEU A 109 10.819 20.730 13.290 1.00 1.00 H new ATOM 0 HD21 LEU A 109 11.162 22.550 15.796 1.00 1.00 H new ATOM 0 HD22 LEU A 109 10.232 21.033 15.845 1.00 1.00 H new ATOM 0 HD23 LEU A 109 11.571 21.294 16.989 1.00 1.00 H new ATOM 1225 N VAL A 110 10.923 16.231 14.471 1.00 1.00 N ATOM 1226 CA VAL A 110 10.662 14.897 14.975 1.00 1.00 C ATOM 1227 C VAL A 110 11.945 14.094 15.048 1.00 1.00 C ATOM 1228 O VAL A 110 12.980 14.510 14.535 1.00 1.00 O ATOM 1229 CB VAL A 110 9.664 14.182 14.059 1.00 1.00 C ATOM 1230 CG1 VAL A 110 8.487 15.120 13.732 1.00 1.00 C ATOM 1231 CG2 VAL A 110 10.372 13.754 12.753 1.00 1.00 C ATOM 0 H VAL A 110 11.181 16.265 13.485 1.00 1.00 H new ATOM 0 HA VAL A 110 10.243 14.982 15.978 1.00 1.00 H new ATOM 0 HB VAL A 110 9.282 13.297 14.568 1.00 1.00 H new ATOM 0 HG11 VAL A 110 7.781 14.605 13.080 1.00 1.00 H new ATOM 0 HG12 VAL A 110 7.984 15.408 14.655 1.00 1.00 H new ATOM 0 HG13 VAL A 110 8.861 16.012 13.229 1.00 1.00 H new ATOM 0 HG21 VAL A 110 9.660 13.246 12.103 1.00 1.00 H new ATOM 0 HG22 VAL A 110 10.762 14.636 12.245 1.00 1.00 H new ATOM 0 HG23 VAL A 110 11.194 13.078 12.989 1.00 1.00 H new ATOM 1241 N LYS A 111 11.873 12.956 15.719 1.00 1.00 N ATOM 1242 CA LYS A 111 13.046 12.097 15.880 1.00 1.00 C ATOM 1243 C LYS A 111 13.036 10.969 14.861 1.00 1.00 C ATOM 1244 O LYS A 111 12.153 10.889 14.006 1.00 1.00 O ATOM 1245 CB LYS A 111 13.065 11.511 17.307 1.00 1.00 C ATOM 1246 CG LYS A 111 13.853 12.431 18.282 1.00 1.00 C ATOM 1247 CD LYS A 111 12.907 13.393 19.002 1.00 1.00 C ATOM 1248 CE LYS A 111 12.268 12.686 20.199 1.00 1.00 C ATOM 1249 NZ LYS A 111 13.342 12.268 21.139 1.00 1.00 N ATOM 0 H LYS A 111 11.024 12.603 16.160 1.00 1.00 H new ATOM 0 HA LYS A 111 13.941 12.698 15.718 1.00 1.00 H new ATOM 0 HB2 LYS A 111 12.043 11.387 17.666 1.00 1.00 H new ATOM 0 HB3 LYS A 111 13.519 10.520 17.290 1.00 1.00 H new ATOM 0 HG2 LYS A 111 14.386 11.823 19.013 1.00 1.00 H new ATOM 0 HG3 LYS A 111 14.603 12.997 17.730 1.00 1.00 H new ATOM 0 HD2 LYS A 111 13.454 14.274 19.337 1.00 1.00 H new ATOM 0 HD3 LYS A 111 12.134 13.740 18.316 1.00 1.00 H new ATOM 0 HE2 LYS A 111 11.566 13.353 20.700 1.00 1.00 H new ATOM 0 HE3 LYS A 111 11.700 11.818 19.865 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 12.987 12.315 22.115 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 13.632 11.293 20.923 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 14.159 12.903 21.037 1.00 1.00 H new ATOM 1263 N SER A 112 14.043 10.108 14.963 1.00 1.00 N ATOM 1264 CA SER A 112 14.167 8.986 14.053 1.00 1.00 C ATOM 1265 C SER A 112 12.964 8.065 14.176 1.00 1.00 C ATOM 1266 O SER A 112 12.441 7.579 13.175 1.00 1.00 O ATOM 1267 CB SER A 112 15.441 8.201 14.350 1.00 1.00 C ATOM 1268 OG SER A 112 16.547 9.089 14.360 1.00 1.00 O ATOM 0 H SER A 112 14.780 10.169 15.665 1.00 1.00 H new ATOM 0 HA SER A 112 14.214 9.376 13.036 1.00 1.00 H new ATOM 0 HB2 SER A 112 15.355 7.697 15.313 1.00 1.00 H new ATOM 0 HB3 SER A 112 15.589 7.427 13.597 1.00 1.00 H new ATOM 0 HG SER A 112 16.242 9.988 14.604 1.00 1.00 H new ATOM 1274 N ALA A 113 12.527 7.828 15.409 1.00 1.00 N ATOM 1275 CA ALA A 113 11.385 6.955 15.644 1.00 1.00 C ATOM 1276 C ALA A 113 10.203 7.377 14.781 1.00 1.00 C ATOM 1277 O ALA A 113 9.583 6.550 14.115 1.00 1.00 O ATOM 1278 CB ALA A 113 10.984 7.009 17.119 1.00 1.00 C ATOM 0 H ALA A 113 12.942 8.224 16.252 1.00 1.00 H new ATOM 0 HA ALA A 113 11.669 5.936 15.380 1.00 1.00 H new ATOM 0 HB1 ALA A 113 10.129 6.354 17.288 1.00 1.00 H new ATOM 0 HB2 ALA A 113 11.821 6.680 17.736 1.00 1.00 H new ATOM 0 HB3 ALA A 113 10.716 8.031 17.386 1.00 1.00 H new ATOM 1284 N TRP A 114 9.901 8.666 14.787 1.00 1.00 N ATOM 1285 CA TRP A 114 8.793 9.173 13.994 1.00 1.00 C ATOM 1286 C TRP A 114 8.976 8.794 12.531 1.00 1.00 C ATOM 1287 O TRP A 114 8.015 8.435 11.849 1.00 1.00 O ATOM 1288 CB TRP A 114 8.718 10.697 14.119 1.00 1.00 C ATOM 1289 CG TRP A 114 7.780 11.254 13.099 1.00 1.00 C ATOM 1290 CD1 TRP A 114 6.479 11.534 13.316 1.00 1.00 C ATOM 1291 CD2 TRP A 114 8.049 11.596 11.710 1.00 1.00 C ATOM 1292 NE1 TRP A 114 5.926 12.025 12.146 1.00 1.00 N ATOM 1293 CE2 TRP A 114 6.856 12.084 11.129 1.00 1.00 C ATOM 1294 CE3 TRP A 114 9.199 11.530 10.905 1.00 1.00 C ATOM 1295 CZ2 TRP A 114 6.809 12.493 9.798 1.00 1.00 C ATOM 1296 CZ3 TRP A 114 9.154 11.946 9.571 1.00 1.00 C ATOM 1297 CH2 TRP A 114 7.963 12.423 9.018 1.00 1.00 C ATOM 0 H TRP A 114 10.401 9.373 15.326 1.00 1.00 H new ATOM 0 HA TRP A 114 7.868 8.731 14.365 1.00 1.00 H new ATOM 0 HB2 TRP A 114 8.383 10.971 15.119 1.00 1.00 H new ATOM 0 HB3 TRP A 114 9.710 11.129 13.986 1.00 1.00 H new ATOM 0 HD1 TRP A 114 5.954 11.397 14.250 1.00 1.00 H new ATOM 0 HE1 TRP A 114 4.951 12.308 12.048 1.00 1.00 H new ATOM 0 HE3 TRP A 114 10.123 11.156 11.319 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 5.887 12.861 9.374 1.00 1.00 H new ATOM 0 HZ3 TRP A 114 10.046 11.898 8.964 1.00 1.00 H new ATOM 0 HH2 TRP A 114 7.936 12.738 7.985 1.00 1.00 H new ATOM 1308 N LEU A 115 10.206 8.899 12.044 1.00 1.00 N ATOM 1309 CA LEU A 115 10.469 8.579 10.652 1.00 1.00 C ATOM 1310 C LEU A 115 10.234 7.099 10.389 1.00 1.00 C ATOM 1311 O LEU A 115 9.435 6.733 9.526 1.00 1.00 O ATOM 1312 CB LEU A 115 11.912 8.956 10.288 1.00 1.00 C ATOM 1313 CG LEU A 115 12.250 8.475 8.871 1.00 1.00 C ATOM 1314 CD1 LEU A 115 11.176 8.934 7.881 1.00 1.00 C ATOM 1315 CD2 LEU A 115 13.599 9.057 8.449 1.00 1.00 C ATOM 0 H LEU A 115 11.020 9.197 12.581 1.00 1.00 H new ATOM 0 HA LEU A 115 9.783 9.154 10.030 1.00 1.00 H new ATOM 0 HB2 LEU A 115 12.039 10.037 10.352 1.00 1.00 H new ATOM 0 HB3 LEU A 115 12.603 8.511 11.004 1.00 1.00 H new ATOM 0 HG LEU A 115 12.293 7.386 8.870 1.00 1.00 H new ATOM 0 HD11 LEU A 115 11.430 8.585 6.880 1.00 1.00 H new ATOM 0 HD12 LEU A 115 10.211 8.522 8.175 1.00 1.00 H new ATOM 0 HD13 LEU A 115 11.121 10.023 7.882 1.00 1.00 H new ATOM 0 HD21 LEU A 115 13.843 8.717 7.442 1.00 1.00 H new ATOM 0 HD22 LEU A 115 13.546 10.146 8.462 1.00 1.00 H new ATOM 0 HD23 LEU A 115 14.372 8.723 9.142 1.00 1.00 H new ATOM 1327 N SER A 116 10.928 6.248 11.138 1.00 1.00 N ATOM 1328 CA SER A 116 10.784 4.811 10.967 1.00 1.00 C ATOM 1329 C SER A 116 9.309 4.440 10.883 1.00 1.00 C ATOM 1330 O SER A 116 8.866 3.796 9.939 1.00 1.00 O ATOM 1331 CB SER A 116 11.439 4.089 12.151 1.00 1.00 C ATOM 1332 OG SER A 116 12.653 4.751 12.489 1.00 1.00 O ATOM 0 H SER A 116 11.589 6.527 11.862 1.00 1.00 H new ATOM 0 HA SER A 116 11.274 4.507 10.042 1.00 1.00 H new ATOM 0 HB2 SER A 116 10.764 4.082 13.007 1.00 1.00 H new ATOM 0 HB3 SER A 116 11.638 3.049 11.893 1.00 1.00 H new ATOM 0 HG SER A 116 13.156 4.950 11.672 1.00 1.00 H new ATOM 1338 N LEU A 117 8.548 4.868 11.874 1.00 1.00 N ATOM 1339 CA LEU A 117 7.123 4.569 11.887 1.00 1.00 C ATOM 1340 C LEU A 117 6.494 4.985 10.561 1.00 1.00 C ATOM 1341 O LEU A 117 5.776 4.215 9.932 1.00 1.00 O ATOM 1342 CB LEU A 117 6.441 5.314 13.049 1.00 1.00 C ATOM 1343 CG LEU A 117 6.354 4.411 14.286 1.00 1.00 C ATOM 1344 CD1 LEU A 117 7.759 4.056 14.776 1.00 1.00 C ATOM 1345 CD2 LEU A 117 5.598 5.151 15.389 1.00 1.00 C ATOM 0 H LEU A 117 8.882 5.414 12.668 1.00 1.00 H new ATOM 0 HA LEU A 117 6.985 3.497 12.025 1.00 1.00 H new ATOM 0 HB2 LEU A 117 7.002 6.217 13.289 1.00 1.00 H new ATOM 0 HB3 LEU A 117 5.441 5.629 12.750 1.00 1.00 H new ATOM 0 HG LEU A 117 5.828 3.491 14.028 1.00 1.00 H new ATOM 0 HD11 LEU A 117 7.687 3.415 15.654 1.00 1.00 H new ATOM 0 HD12 LEU A 117 8.298 3.531 13.987 1.00 1.00 H new ATOM 0 HD13 LEU A 117 8.295 4.969 15.036 1.00 1.00 H new ATOM 0 HD21 LEU A 117 5.531 4.517 16.273 1.00 1.00 H new ATOM 0 HD22 LEU A 117 6.129 6.069 15.641 1.00 1.00 H new ATOM 0 HD23 LEU A 117 4.594 5.396 15.041 1.00 1.00 H new ATOM 1357 N CYS A 118 6.776 6.206 10.139 1.00 1.00 N ATOM 1358 CA CYS A 118 6.227 6.712 8.890 1.00 1.00 C ATOM 1359 C CYS A 118 6.502 5.743 7.747 1.00 1.00 C ATOM 1360 O CYS A 118 5.672 5.565 6.856 1.00 1.00 O ATOM 1361 CB CYS A 118 6.856 8.064 8.561 1.00 1.00 C ATOM 1362 SG CYS A 118 5.898 8.887 7.264 1.00 1.00 S ATOM 0 H CYS A 118 7.377 6.862 10.638 1.00 1.00 H new ATOM 0 HA CYS A 118 5.149 6.821 9.009 1.00 1.00 H new ATOM 0 HB2 CYS A 118 6.887 8.688 9.454 1.00 1.00 H new ATOM 0 HB3 CYS A 118 7.886 7.926 8.233 1.00 1.00 H new ATOM 0 HG CYS A 118 4.630 8.693 7.472 1.00 1.00 H new ATOM 1368 N LEU A 119 7.674 5.132 7.773 1.00 1.00 N ATOM 1369 CA LEU A 119 8.054 4.192 6.718 1.00 1.00 C ATOM 1370 C LEU A 119 7.226 2.906 6.787 1.00 1.00 C ATOM 1371 O LEU A 119 6.556 2.523 5.830 1.00 1.00 O ATOM 1372 CB LEU A 119 9.537 3.835 6.848 1.00 1.00 C ATOM 1373 CG LEU A 119 10.397 5.057 6.503 1.00 1.00 C ATOM 1374 CD1 LEU A 119 11.862 4.773 6.850 1.00 1.00 C ATOM 1375 CD2 LEU A 119 10.275 5.395 4.997 1.00 1.00 C ATOM 0 H LEU A 119 8.376 5.264 8.502 1.00 1.00 H new ATOM 0 HA LEU A 119 7.865 4.677 5.760 1.00 1.00 H new ATOM 0 HB2 LEU A 119 9.753 3.502 7.863 1.00 1.00 H new ATOM 0 HB3 LEU A 119 9.781 3.007 6.182 1.00 1.00 H new ATOM 0 HG LEU A 119 10.044 5.909 7.084 1.00 1.00 H new ATOM 0 HD11 LEU A 119 12.470 5.644 6.603 1.00 1.00 H new ATOM 0 HD12 LEU A 119 11.949 4.560 7.915 1.00 1.00 H new ATOM 0 HD13 LEU A 119 12.211 3.913 6.278 1.00 1.00 H new ATOM 0 HD21 LEU A 119 10.891 6.265 4.768 1.00 1.00 H new ATOM 0 HD22 LEU A 119 10.613 4.545 4.405 1.00 1.00 H new ATOM 0 HD23 LEU A 119 9.235 5.614 4.756 1.00 1.00 H new ATOM 1387 N GLN A 120 7.280 2.244 7.920 1.00 1.00 N ATOM 1388 CA GLN A 120 6.547 0.995 8.103 1.00 1.00 C ATOM 1389 C GLN A 120 5.047 1.249 8.073 1.00 1.00 C ATOM 1390 O GLN A 120 4.262 0.339 7.812 1.00 1.00 O ATOM 1391 CB GLN A 120 6.946 0.335 9.427 1.00 1.00 C ATOM 1392 CG GLN A 120 6.758 1.324 10.570 1.00 1.00 C ATOM 1393 CD GLN A 120 7.552 0.888 11.794 1.00 1.00 C ATOM 1394 OE1 GLN A 120 8.699 1.455 12.047 1.00 1.00 O flip ATOM 1395 NE2 GLN A 120 7.114 0.014 12.542 1.00 1.00 N flip ATOM 0 H GLN A 120 7.820 2.542 8.732 1.00 1.00 H new ATOM 0 HA GLN A 120 6.801 0.321 7.285 1.00 1.00 H new ATOM 0 HB2 GLN A 120 6.339 -0.554 9.599 1.00 1.00 H new ATOM 0 HB3 GLN A 120 7.985 0.008 9.383 1.00 1.00 H new ATOM 0 HG2 GLN A 120 7.081 2.317 10.256 1.00 1.00 H new ATOM 0 HG3 GLN A 120 5.700 1.398 10.824 1.00 1.00 H new ATOM 0 HE21 GLN A 120 6.217 -0.427 12.341 1.00 1.00 H new ATOM 0 HE22 GLN A 120 7.648 -0.269 13.363 1.00 1.00 H new ATOM 1404 N GLU A 121 4.657 2.492 8.332 1.00 1.00 N ATOM 1405 CA GLU A 121 3.244 2.856 8.320 1.00 1.00 C ATOM 1406 C GLU A 121 2.812 3.280 6.924 1.00 1.00 C ATOM 1407 O GLU A 121 1.755 2.870 6.450 1.00 1.00 O ATOM 1408 CB GLU A 121 2.981 3.992 9.309 1.00 1.00 C ATOM 1409 CG GLU A 121 3.124 3.470 10.741 1.00 1.00 C ATOM 1410 CD GLU A 121 1.983 2.513 11.060 1.00 1.00 C ATOM 1411 OE1 GLU A 121 0.965 2.590 10.390 1.00 1.00 O ATOM 1412 OE2 GLU A 121 2.144 1.709 11.964 1.00 1.00 O ATOM 0 H GLU A 121 5.293 3.259 8.551 1.00 1.00 H new ATOM 0 HA GLU A 121 2.664 1.982 8.617 1.00 1.00 H new ATOM 0 HB2 GLU A 121 3.683 4.808 9.137 1.00 1.00 H new ATOM 0 HB3 GLU A 121 1.980 4.396 9.157 1.00 1.00 H new ATOM 0 HG2 GLU A 121 4.081 2.961 10.858 1.00 1.00 H new ATOM 0 HG3 GLU A 121 3.118 4.303 11.443 1.00 1.00 H new ATOM 1419 N ARG A 122 3.632 4.114 6.277 1.00 1.00 N ATOM 1420 CA ARG A 122 3.338 4.605 4.944 1.00 1.00 C ATOM 1421 C ARG A 122 2.369 5.782 4.999 1.00 1.00 C ATOM 1422 O ARG A 122 1.538 5.950 4.110 1.00 1.00 O ATOM 1423 CB ARG A 122 2.741 3.478 4.091 1.00 1.00 C ATOM 1424 CG ARG A 122 3.078 3.703 2.604 1.00 1.00 C ATOM 1425 CD ARG A 122 4.324 2.906 2.240 1.00 1.00 C ATOM 1426 NE ARG A 122 5.391 3.117 3.204 1.00 1.00 N ATOM 1427 CZ ARG A 122 6.645 2.783 2.910 1.00 1.00 C ATOM 1428 NH1 ARG A 122 6.928 2.254 1.752 1.00 1.00 N ATOM 1429 NH2 ARG A 122 7.590 2.983 3.777 1.00 1.00 N ATOM 0 H ARG A 122 4.509 4.460 6.666 1.00 1.00 H new ATOM 0 HA ARG A 122 4.269 4.947 4.492 1.00 1.00 H new ATOM 0 HB2 ARG A 122 3.134 2.516 4.419 1.00 1.00 H new ATOM 0 HB3 ARG A 122 1.660 3.443 4.226 1.00 1.00 H new ATOM 0 HG2 ARG A 122 2.240 3.394 1.979 1.00 1.00 H new ATOM 0 HG3 ARG A 122 3.243 4.764 2.414 1.00 1.00 H new ATOM 0 HD2 ARG A 122 4.078 1.845 2.194 1.00 1.00 H new ATOM 0 HD3 ARG A 122 4.666 3.197 1.247 1.00 1.00 H new ATOM 0 HE ARG A 122 5.177 3.525 4.114 1.00 1.00 H new ATOM 0 HH11 ARG A 122 6.187 2.095 1.069 1.00 1.00 H new ATOM 0 HH12 ARG A 122 7.890 1.999 1.529 1.00 1.00 H new ATOM 0 HH21 ARG A 122 7.371 3.396 4.684 1.00 1.00 H new ATOM 0 HH22 ARG A 122 8.551 2.727 3.552 1.00 1.00 H new ATOM 1443 N ARG A 123 2.479 6.587 6.042 1.00 1.00 N ATOM 1444 CA ARG A 123 1.591 7.740 6.189 1.00 1.00 C ATOM 1445 C ARG A 123 2.174 8.740 7.175 1.00 1.00 C ATOM 1446 O ARG A 123 3.278 8.555 7.675 1.00 1.00 O ATOM 1447 CB ARG A 123 0.207 7.284 6.675 1.00 1.00 C ATOM 1448 CG ARG A 123 0.361 6.228 7.778 1.00 1.00 C ATOM 1449 CD ARG A 123 1.048 6.842 9.011 1.00 1.00 C ATOM 1450 NE ARG A 123 0.721 6.080 10.203 1.00 1.00 N ATOM 1451 CZ ARG A 123 -0.431 6.254 10.833 1.00 1.00 C ATOM 1452 NH1 ARG A 123 -1.296 7.122 10.381 1.00 1.00 N ATOM 1453 NH2 ARG A 123 -0.696 5.562 11.902 1.00 1.00 N ATOM 0 H ARG A 123 3.161 6.472 6.792 1.00 1.00 H new ATOM 0 HA ARG A 123 1.490 8.221 5.216 1.00 1.00 H new ATOM 0 HB2 ARG A 123 -0.354 8.138 7.053 1.00 1.00 H new ATOM 0 HB3 ARG A 123 -0.363 6.872 5.842 1.00 1.00 H new ATOM 0 HG2 ARG A 123 -0.618 5.836 8.056 1.00 1.00 H new ATOM 0 HG3 ARG A 123 0.947 5.387 7.407 1.00 1.00 H new ATOM 0 HD2 ARG A 123 2.128 6.855 8.865 1.00 1.00 H new ATOM 0 HD3 ARG A 123 0.730 7.877 9.135 1.00 1.00 H new ATOM 0 HE ARG A 123 1.390 5.399 10.561 1.00 1.00 H new ATOM 0 HH11 ARG A 123 -1.084 7.665 9.544 1.00 1.00 H new ATOM 0 HH12 ARG A 123 -2.184 7.257 10.865 1.00 1.00 H new ATOM 0 HH21 ARG A 123 -0.017 4.887 12.254 1.00 1.00 H new ATOM 0 HH22 ARG A 123 -1.583 5.695 12.389 1.00 1.00 H new ATOM 1467 N LEU A 124 1.427 9.795 7.458 1.00 1.00 N ATOM 1468 CA LEU A 124 1.897 10.809 8.389 1.00 1.00 C ATOM 1469 C LEU A 124 1.705 10.338 9.827 1.00 1.00 C ATOM 1470 O LEU A 124 0.595 9.995 10.233 1.00 1.00 O ATOM 1471 CB LEU A 124 1.113 12.106 8.181 1.00 1.00 C ATOM 1472 CG LEU A 124 1.790 13.265 8.947 1.00 1.00 C ATOM 1473 CD1 LEU A 124 2.876 13.903 8.071 1.00 1.00 C ATOM 1474 CD2 LEU A 124 0.746 14.329 9.306 1.00 1.00 C ATOM 0 H LEU A 124 0.504 9.971 7.062 1.00 1.00 H new ATOM 0 HA LEU A 124 2.957 10.983 8.205 1.00 1.00 H new ATOM 0 HB2 LEU A 124 1.062 12.343 7.118 1.00 1.00 H new ATOM 0 HB3 LEU A 124 0.088 11.980 8.529 1.00 1.00 H new ATOM 0 HG LEU A 124 2.240 12.871 9.858 1.00 1.00 H new ATOM 0 HD11 LEU A 124 3.350 14.719 8.616 1.00 1.00 H new ATOM 0 HD12 LEU A 124 3.625 13.153 7.817 1.00 1.00 H new ATOM 0 HD13 LEU A 124 2.425 14.290 7.157 1.00 1.00 H new ATOM 0 HD21 LEU A 124 1.228 15.144 9.846 1.00 1.00 H new ATOM 0 HD22 LEU A 124 0.293 14.716 8.394 1.00 1.00 H new ATOM 0 HD23 LEU A 124 -0.026 13.884 9.934 1.00 1.00 H new ATOM 1486 N VAL A 125 2.798 10.320 10.594 1.00 1.00 N ATOM 1487 CA VAL A 125 2.760 9.892 11.984 1.00 1.00 C ATOM 1488 C VAL A 125 2.710 11.099 12.917 1.00 1.00 C ATOM 1489 O VAL A 125 3.144 12.194 12.561 1.00 1.00 O ATOM 1490 CB VAL A 125 3.999 9.047 12.301 1.00 1.00 C ATOM 1491 CG1 VAL A 125 3.694 8.115 13.463 1.00 1.00 C ATOM 1492 CG2 VAL A 125 4.386 8.226 11.073 1.00 1.00 C ATOM 0 H VAL A 125 3.723 10.600 10.268 1.00 1.00 H new ATOM 0 HA VAL A 125 1.862 9.294 12.138 1.00 1.00 H new ATOM 0 HB VAL A 125 4.826 9.703 12.571 1.00 1.00 H new ATOM 0 HG11 VAL A 125 4.575 7.514 13.688 1.00 1.00 H new ATOM 0 HG12 VAL A 125 3.422 8.703 14.339 1.00 1.00 H new ATOM 0 HG13 VAL A 125 2.866 7.459 13.195 1.00 1.00 H new ATOM 0 HG21 VAL A 125 5.267 7.626 11.300 1.00 1.00 H new ATOM 0 HG22 VAL A 125 3.560 7.569 10.799 1.00 1.00 H new ATOM 0 HG23 VAL A 125 4.607 8.896 10.242 1.00 1.00 H new ATOM 1502 N ASP A 126 2.174 10.886 14.110 1.00 1.00 N ATOM 1503 CA ASP A 126 2.067 11.960 15.087 1.00 1.00 C ATOM 1504 C ASP A 126 3.455 12.482 15.453 1.00 1.00 C ATOM 1505 O ASP A 126 4.222 11.813 16.143 1.00 1.00 O ATOM 1506 CB ASP A 126 1.362 11.450 16.347 1.00 1.00 C ATOM 1507 CG ASP A 126 2.128 10.267 16.935 1.00 1.00 C ATOM 1508 OD1 ASP A 126 3.044 9.794 16.284 1.00 1.00 O ATOM 1509 OD2 ASP A 126 1.781 9.845 18.027 1.00 1.00 O ATOM 0 H ASP A 126 1.809 9.987 14.423 1.00 1.00 H new ATOM 0 HA ASP A 126 1.486 12.772 14.651 1.00 1.00 H new ATOM 0 HB2 ASP A 126 1.293 12.251 17.084 1.00 1.00 H new ATOM 0 HB3 ASP A 126 0.342 11.149 16.106 1.00 1.00 H new ATOM 1514 N VAL A 127 3.769 13.682 14.982 1.00 1.00 N ATOM 1515 CA VAL A 127 5.065 14.287 15.257 1.00 1.00 C ATOM 1516 C VAL A 127 5.268 14.465 16.759 1.00 1.00 C ATOM 1517 O VAL A 127 6.345 14.194 17.288 1.00 1.00 O ATOM 1518 CB VAL A 127 5.155 15.644 14.559 1.00 1.00 C ATOM 1519 CG1 VAL A 127 4.779 15.495 13.084 1.00 1.00 C ATOM 1520 CG2 VAL A 127 4.213 16.632 15.235 1.00 1.00 C ATOM 0 H VAL A 127 3.147 14.253 14.410 1.00 1.00 H new ATOM 0 HA VAL A 127 5.846 13.628 14.878 1.00 1.00 H new ATOM 0 HB VAL A 127 6.177 16.017 14.630 1.00 1.00 H new ATOM 0 HG11 VAL A 127 4.845 16.465 12.592 1.00 1.00 H new ATOM 0 HG12 VAL A 127 5.464 14.797 12.603 1.00 1.00 H new ATOM 0 HG13 VAL A 127 3.760 15.117 13.005 1.00 1.00 H new ATOM 0 HG21 VAL A 127 4.279 17.598 14.735 1.00 1.00 H new ATOM 0 HG22 VAL A 127 3.190 16.261 15.172 1.00 1.00 H new ATOM 0 HG23 VAL A 127 4.494 16.745 16.282 1.00 1.00 H new ATOM 1530 N ALA A 128 4.223 14.920 17.439 1.00 1.00 N ATOM 1531 CA ALA A 128 4.295 15.132 18.878 1.00 1.00 C ATOM 1532 C ALA A 128 4.721 13.851 19.585 1.00 1.00 C ATOM 1533 O ALA A 128 5.235 13.888 20.703 1.00 1.00 O ATOM 1534 CB ALA A 128 2.934 15.582 19.409 1.00 1.00 C ATOM 0 H ALA A 128 3.321 15.148 17.020 1.00 1.00 H new ATOM 0 HA ALA A 128 5.035 15.907 19.076 1.00 1.00 H new ATOM 0 HB1 ALA A 128 2.997 15.738 20.486 1.00 1.00 H new ATOM 0 HB2 ALA A 128 2.644 16.514 18.924 1.00 1.00 H new ATOM 0 HB3 ALA A 128 2.189 14.815 19.197 1.00 1.00 H new ATOM 1540 N GLY A 129 4.501 12.718 18.927 1.00 1.00 N ATOM 1541 CA GLY A 129 4.865 11.430 19.504 1.00 1.00 C ATOM 1542 C GLY A 129 6.367 11.345 19.740 1.00 1.00 C ATOM 1543 O GLY A 129 6.816 10.777 20.735 1.00 1.00 O ATOM 0 H GLY A 129 4.076 12.665 18.001 1.00 1.00 H new ATOM 0 HA2 GLY A 129 4.336 11.287 20.446 1.00 1.00 H new ATOM 0 HA3 GLY A 129 4.552 10.627 18.837 1.00 1.00 H new ATOM 1547 N PHE A 130 7.143 11.913 18.816 1.00 1.00 N ATOM 1548 CA PHE A 130 8.604 11.893 18.931 1.00 1.00 C ATOM 1549 C PHE A 130 9.209 13.200 18.420 1.00 1.00 C ATOM 1550 O PHE A 130 10.024 13.197 17.498 1.00 1.00 O ATOM 1551 CB PHE A 130 9.175 10.705 18.136 1.00 1.00 C ATOM 1552 CG PHE A 130 8.201 9.553 18.183 1.00 1.00 C ATOM 1553 CD1 PHE A 130 7.036 9.597 17.409 1.00 1.00 C ATOM 1554 CD2 PHE A 130 8.465 8.443 18.992 1.00 1.00 C ATOM 1555 CE1 PHE A 130 6.135 8.528 17.444 1.00 1.00 C ATOM 1556 CE2 PHE A 130 7.564 7.375 19.029 1.00 1.00 C ATOM 1557 CZ PHE A 130 6.398 7.417 18.254 1.00 1.00 C ATOM 0 H PHE A 130 6.789 12.389 17.986 1.00 1.00 H new ATOM 0 HA PHE A 130 8.865 11.783 19.984 1.00 1.00 H new ATOM 0 HB2 PHE A 130 9.357 10.999 17.102 1.00 1.00 H new ATOM 0 HB3 PHE A 130 10.134 10.401 18.555 1.00 1.00 H new ATOM 0 HD1 PHE A 130 6.833 10.455 16.786 1.00 1.00 H new ATOM 0 HD2 PHE A 130 9.365 8.411 19.588 1.00 1.00 H new ATOM 0 HE1 PHE A 130 5.236 8.560 16.846 1.00 1.00 H new ATOM 0 HE2 PHE A 130 7.767 6.518 19.655 1.00 1.00 H new ATOM 0 HZ PHE A 130 5.702 6.592 18.281 1.00 1.00 H new ATOM 1567 N SER A 131 8.805 14.317 19.024 1.00 1.00 N ATOM 1568 CA SER A 131 9.307 15.627 18.638 1.00 1.00 C ATOM 1569 C SER A 131 10.018 16.296 19.801 1.00 1.00 C ATOM 1570 O SER A 131 9.713 16.040 20.966 1.00 1.00 O ATOM 1571 CB SER A 131 8.153 16.495 18.155 1.00 1.00 C ATOM 1572 OG SER A 131 7.720 16.053 16.877 1.00 1.00 O ATOM 0 H SER A 131 8.128 14.336 19.786 1.00 1.00 H new ATOM 0 HA SER A 131 10.026 15.502 17.829 1.00 1.00 H new ATOM 0 HB2 SER A 131 7.328 16.447 18.865 1.00 1.00 H new ATOM 0 HB3 SER A 131 8.467 17.537 18.102 1.00 1.00 H new ATOM 0 HG SER A 131 7.510 15.097 16.916 1.00 1.00 H new ATOM 1578 N ILE A 132 10.991 17.138 19.464 1.00 1.00 N ATOM 1579 CA ILE A 132 11.771 17.828 20.476 1.00 1.00 C ATOM 1580 C ILE A 132 11.021 19.032 20.978 1.00 1.00 C ATOM 1581 O ILE A 132 10.675 19.093 22.153 1.00 1.00 O ATOM 1582 CB ILE A 132 13.111 18.272 19.904 1.00 1.00 C ATOM 1583 CG1 ILE A 132 13.835 17.058 19.328 1.00 1.00 C ATOM 1584 CG2 ILE A 132 13.964 18.882 21.021 1.00 1.00 C ATOM 1585 CD1 ILE A 132 15.016 17.511 18.466 1.00 1.00 C ATOM 0 H ILE A 132 11.254 17.355 18.503 1.00 1.00 H new ATOM 0 HA ILE A 132 11.945 17.139 21.302 1.00 1.00 H new ATOM 0 HB ILE A 132 12.948 19.013 19.121 1.00 1.00 H new ATOM 0 HG12 ILE A 132 14.189 16.418 20.136 1.00 1.00 H new ATOM 0 HG13 ILE A 132 13.145 16.463 18.730 1.00 1.00 H new ATOM 0 HG21 ILE A 132 14.924 19.200 20.613 1.00 1.00 H new ATOM 0 HG22 ILE A 132 13.447 19.742 21.445 1.00 1.00 H new ATOM 0 HG23 ILE A 132 14.130 18.138 21.800 1.00 1.00 H new ATOM 0 HD11 ILE A 132 15.526 16.638 18.060 1.00 1.00 H new ATOM 0 HD12 ILE A 132 14.652 18.132 17.648 1.00 1.00 H new ATOM 0 HD13 ILE A 132 15.712 18.086 19.076 1.00 1.00 H new ATOM 1597 N PHE A 133 10.789 19.986 20.079 1.00 1.00 N ATOM 1598 CA PHE A 133 10.077 21.208 20.422 1.00 1.00 C ATOM 1599 C PHE A 133 10.872 22.055 21.397 1.00 1.00 C ATOM 1600 O PHE A 133 10.804 23.271 21.311 1.00 1.00 O ATOM 1601 CB PHE A 133 8.682 20.895 21.015 1.00 1.00 C ATOM 1602 CG PHE A 133 8.074 22.139 21.637 1.00 1.00 C ATOM 1603 CD1 PHE A 133 7.923 23.303 20.875 1.00 1.00 C ATOM 1604 CD2 PHE A 133 7.670 22.127 22.982 1.00 1.00 C ATOM 1605 CE1 PHE A 133 7.367 24.447 21.453 1.00 1.00 C ATOM 1606 CE2 PHE A 133 7.118 23.270 23.558 1.00 1.00 C ATOM 1607 CZ PHE A 133 6.964 24.432 22.794 1.00 1.00 C ATOM 0 H PHE A 133 11.086 19.933 19.105 1.00 1.00 H new ATOM 0 HA PHE A 133 9.946 21.773 19.499 1.00 1.00 H new ATOM 0 HB2 PHE A 133 8.025 20.515 20.232 1.00 1.00 H new ATOM 0 HB3 PHE A 133 8.768 20.111 21.767 1.00 1.00 H new ATOM 0 HD1 PHE A 133 8.236 23.317 19.841 1.00 1.00 H new ATOM 0 HD2 PHE A 133 7.787 21.230 23.572 1.00 1.00 H new ATOM 0 HE1 PHE A 133 7.248 25.345 20.864 1.00 1.00 H new ATOM 0 HE2 PHE A 133 6.809 23.259 24.593 1.00 1.00 H new ATOM 0 HZ PHE A 133 6.534 25.317 23.239 1.00 1.00 H new ATOM 1617 N ILE A 134 11.591 21.388 22.316 1.00 1.00 N ATOM 1618 CA ILE A 134 12.396 22.036 23.354 1.00 1.00 C ATOM 1619 C ILE A 134 12.578 21.088 24.547 1.00 1.00 C ATOM 1620 O ILE A 134 13.707 20.825 24.965 1.00 1.00 O ATOM 1621 CB ILE A 134 11.729 23.358 23.822 1.00 1.00 C ATOM 1622 CG1 ILE A 134 12.296 24.537 23.000 1.00 1.00 C ATOM 1623 CG2 ILE A 134 11.986 23.616 25.333 1.00 1.00 C ATOM 1624 CD1 ILE A 134 13.569 25.078 23.645 1.00 1.00 C ATOM 0 H ILE A 134 11.627 20.369 22.355 1.00 1.00 H new ATOM 0 HA ILE A 134 13.373 22.273 22.934 1.00 1.00 H new ATOM 0 HB ILE A 134 10.654 23.271 23.667 1.00 1.00 H new ATOM 0 HG12 ILE A 134 12.508 24.209 21.982 1.00 1.00 H new ATOM 0 HG13 ILE A 134 11.552 25.330 22.930 1.00 1.00 H new ATOM 0 HG21 ILE A 134 11.506 24.549 25.630 1.00 1.00 H new ATOM 0 HG22 ILE A 134 11.574 22.794 25.918 1.00 1.00 H new ATOM 0 HG23 ILE A 134 13.059 23.687 25.513 1.00 1.00 H new ATOM 0 HD11 ILE A 134 13.953 25.908 23.052 1.00 1.00 H new ATOM 0 HD12 ILE A 134 13.346 25.426 24.654 1.00 1.00 H new ATOM 0 HD13 ILE A 134 14.318 24.287 23.691 1.00 1.00 H new ATOM 1636 N PRO A 135 11.500 20.599 25.116 1.00 1.00 N ATOM 1637 CA PRO A 135 11.563 19.708 26.310 1.00 1.00 C ATOM 1638 C PRO A 135 12.382 18.449 26.036 1.00 1.00 C ATOM 1639 O PRO A 135 12.126 17.808 25.033 1.00 1.00 O ATOM 1640 CB PRO A 135 10.078 19.379 26.593 1.00 1.00 C ATOM 1641 CG PRO A 135 9.366 19.663 25.315 1.00 1.00 C ATOM 1642 CD PRO A 135 10.105 20.824 24.694 1.00 1.00 C ATOM 1643 OXT PRO A 135 13.261 18.148 26.833 1.00 1.00 O ATOM 0 HA PRO A 135 12.059 20.177 27.160 1.00 1.00 H new ATOM 0 HB2 PRO A 135 9.955 18.337 26.890 1.00 1.00 H new ATOM 0 HB3 PRO A 135 9.687 19.990 27.406 1.00 1.00 H new ATOM 0 HG2 PRO A 135 9.377 18.794 24.658 1.00 1.00 H new ATOM 0 HG3 PRO A 135 8.321 19.914 25.495 1.00 1.00 H new ATOM 0 HD2 PRO A 135 10.008 20.829 23.608 1.00 1.00 H new ATOM 0 HD3 PRO A 135 9.725 21.781 25.052 1.00 1.00 H new