USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 876 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 41 TYR OH : rot -169:sc= 0.505 USER MOD Set 1.2: B 249 HIS : no HE2:sc= -0.0928 K(o=0.41,f=-0.15) USER MOD Set 2.1: B 237 SER OG : rot 180:sc= -0.151 USER MOD Set 2.2: B 239 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.55 (180deg=1.19!) USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= -0.01 (180deg=-0.127) USER MOD Single : A 13 THR OG1 : rot -62:sc= -0.165 USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= -0.0665 (180deg=-0.322) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -18:sc= 0.0773 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= -2.41 (180deg=-2.41) USER MOD Single : A 39 SER OG : rot -85:sc= 0.451 USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 49 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.31) USER MOD Single : B 201 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 211 LYS NZ :NH3+ -132:sc= 1.17 (180deg=-0.636) USER MOD Single : B 213 THR OG1 : rot -159:sc= -1.87! USER MOD Single : B 214 LYS NZ :NH3+ -171:sc=-0.00468 (180deg=-0.0813) USER MOD Single : B 221 TYR OH : rot -112:sc= 0.464 USER MOD Single : B 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 230 SER OG : rot 180:sc= 0 USER MOD Single : B 235 ASN : amide:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : B 236 THR OG1 : rot 180:sc= 0 USER MOD Single : B 238 MET CE :methyl 144:sc= -2.14! (180deg=-3.4!) USER MOD Single : B 241 TYR OH : rot 180:sc= 0 USER MOD Single : B 248 ASN :FLIP amide:sc= -0.0935 F(o=-2!,f=-0.093) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.095 9.646 1.345 1.00 34.24 N ATOM 2 CA MET A 1 18.245 11.043 1.835 1.00 32.41 C ATOM 3 C MET A 1 18.207 11.107 3.370 1.00 74.33 C ATOM 4 O MET A 1 17.686 10.206 4.025 1.00 5.13 O ATOM 5 CB MET A 1 17.139 11.934 1.252 1.00 42.31 C ATOM 6 CG MET A 1 17.236 12.126 -0.254 1.00 73.12 C ATOM 7 SD MET A 1 17.222 10.563 -1.153 1.00 52.33 S ATOM 8 CE MET A 1 17.431 11.138 -2.838 1.00 72.42 C ATOM 0 H1 MET A 1 18.074 9.643 0.305 1.00 34.24 H new ATOM 0 H2 MET A 1 18.898 9.074 1.677 1.00 34.24 H new ATOM 0 H3 MET A 1 17.208 9.243 1.710 1.00 34.24 H new ATOM 0 HA MET A 1 19.217 11.407 1.502 1.00 32.41 H new ATOM 0 HB2 MET A 1 16.169 11.497 1.492 1.00 42.31 H new ATOM 0 HB3 MET A 1 17.178 12.910 1.737 1.00 42.31 H new ATOM 0 HG2 MET A 1 16.404 12.743 -0.592 1.00 73.12 H new ATOM 0 HG3 MET A 1 18.152 12.668 -0.489 1.00 73.12 H new ATOM 0 HE1 MET A 1 17.442 10.284 -3.515 1.00 72.42 H new ATOM 0 HE2 MET A 1 16.606 11.799 -3.102 1.00 72.42 H new ATOM 0 HE3 MET A 1 18.372 11.681 -2.923 1.00 72.42 H new ATOM 20 N VAL A 2 18.748 12.188 3.934 1.00 72.51 N ATOM 21 CA VAL A 2 18.775 12.382 5.394 1.00 23.33 C ATOM 22 C VAL A 2 17.358 12.386 6.008 1.00 35.51 C ATOM 23 O VAL A 2 17.169 12.010 7.164 1.00 53.12 O ATOM 24 CB VAL A 2 19.502 13.704 5.764 1.00 1.55 C ATOM 25 CG1 VAL A 2 18.761 14.915 5.196 1.00 0.42 C ATOM 26 CG2 VAL A 2 19.684 13.830 7.279 1.00 63.42 C ATOM 0 H VAL A 2 19.176 12.948 3.404 1.00 72.51 H new ATOM 0 HA VAL A 2 19.323 11.537 5.810 1.00 23.33 H new ATOM 0 HB VAL A 2 20.494 13.676 5.312 1.00 1.55 H new ATOM 0 HG11 VAL A 2 19.291 15.827 5.470 1.00 0.42 H new ATOM 0 HG12 VAL A 2 18.713 14.835 4.110 1.00 0.42 H new ATOM 0 HG13 VAL A 2 17.750 14.947 5.603 1.00 0.42 H new ATOM 0 HG21 VAL A 2 20.196 14.765 7.507 1.00 63.42 H new ATOM 0 HG22 VAL A 2 18.708 13.822 7.765 1.00 63.42 H new ATOM 0 HG23 VAL A 2 20.278 12.993 7.645 1.00 63.42 H new ATOM 36 N GLY A 3 16.367 12.796 5.217 1.00 4.13 N ATOM 37 CA GLY A 3 14.991 12.871 5.704 1.00 61.51 C ATOM 38 C GLY A 3 14.072 13.656 4.772 1.00 23.14 C ATOM 39 O GLY A 3 12.854 13.472 4.786 1.00 25.21 O ATOM 0 H GLY A 3 16.490 13.079 4.245 1.00 4.13 H new ATOM 0 HA2 GLY A 3 14.599 11.861 5.827 1.00 61.51 H new ATOM 0 HA3 GLY A 3 14.985 13.337 6.689 1.00 61.51 H new ATOM 43 N ARG A 4 14.659 14.542 3.963 1.00 63.52 N ATOM 44 CA ARG A 4 13.892 15.362 3.018 1.00 31.42 C ATOM 45 C ARG A 4 13.222 14.507 1.935 1.00 24.44 C ATOM 46 O ARG A 4 13.888 13.822 1.154 1.00 51.45 O ATOM 47 CB ARG A 4 14.794 16.434 2.392 1.00 60.31 C ATOM 48 CG ARG A 4 15.386 17.374 3.435 1.00 22.00 C ATOM 49 CD ARG A 4 16.196 18.509 2.819 1.00 22.33 C ATOM 50 NE ARG A 4 16.780 19.353 3.856 1.00 51.43 N ATOM 51 CZ ARG A 4 17.282 20.537 3.659 1.00 13.12 C ATOM 52 NH1 ARG A 4 17.337 21.049 2.473 1.00 64.23 N ATOM 53 NH2 ARG A 4 17.756 21.198 4.661 1.00 14.52 N ATOM 0 H ARG A 4 15.665 14.711 3.943 1.00 63.52 H new ATOM 0 HA ARG A 4 13.095 15.856 3.574 1.00 31.42 H new ATOM 0 HB2 ARG A 4 15.601 15.950 1.842 1.00 60.31 H new ATOM 0 HB3 ARG A 4 14.219 17.013 1.670 1.00 60.31 H new ATOM 0 HG2 ARG A 4 14.580 17.794 4.037 1.00 22.00 H new ATOM 0 HG3 ARG A 4 16.024 16.804 4.110 1.00 22.00 H new ATOM 0 HD2 ARG A 4 16.986 18.098 2.191 1.00 22.33 H new ATOM 0 HD3 ARG A 4 15.555 19.110 2.173 1.00 22.33 H new ATOM 0 HE ARG A 4 16.796 18.987 4.808 1.00 51.43 H new ATOM 0 HH11 ARG A 4 16.983 20.523 1.674 1.00 64.23 H new ATOM 0 HH12 ARG A 4 17.734 21.979 2.337 1.00 64.23 H new ATOM 0 HH21 ARG A 4 17.735 20.791 5.596 1.00 14.52 H new ATOM 0 HH22 ARG A 4 18.152 22.127 4.518 1.00 14.52 H new ATOM 67 N ARG A 5 11.894 14.567 1.906 1.00 54.44 N ATOM 68 CA ARG A 5 11.075 13.759 0.996 1.00 2.33 C ATOM 69 C ARG A 5 10.924 14.423 -0.388 1.00 72.14 C ATOM 70 O ARG A 5 10.771 15.644 -0.487 1.00 54.30 O ATOM 71 CB ARG A 5 9.693 13.540 1.634 1.00 44.41 C ATOM 72 CG ARG A 5 9.742 12.728 2.929 1.00 63.44 C ATOM 73 CD ARG A 5 8.494 12.918 3.792 1.00 33.43 C ATOM 74 NE ARG A 5 7.252 12.658 3.063 1.00 70.03 N ATOM 75 CZ ARG A 5 6.166 12.175 3.608 1.00 54.20 C ATOM 76 NH1 ARG A 5 6.155 11.815 4.854 1.00 35.15 N ATOM 77 NH2 ARG A 5 5.094 12.038 2.895 1.00 34.31 N ATOM 0 H ARG A 5 11.349 15.179 2.514 1.00 54.44 H new ATOM 0 HA ARG A 5 11.574 12.803 0.839 1.00 2.33 H new ATOM 0 HB2 ARG A 5 9.238 14.509 1.839 1.00 44.41 H new ATOM 0 HB3 ARG A 5 9.048 13.030 0.919 1.00 44.41 H new ATOM 0 HG2 ARG A 5 9.854 11.671 2.686 1.00 63.44 H new ATOM 0 HG3 ARG A 5 10.623 13.018 3.502 1.00 63.44 H new ATOM 0 HD2 ARG A 5 8.550 12.253 4.654 1.00 33.43 H new ATOM 0 HD3 ARG A 5 8.477 13.938 4.177 1.00 33.43 H new ATOM 0 HE ARG A 5 7.232 12.867 2.065 1.00 70.03 H new ATOM 0 HH11 ARG A 5 6.999 11.907 5.419 1.00 35.15 H new ATOM 0 HH12 ARG A 5 5.302 11.439 5.269 1.00 35.15 H new ATOM 0 HH21 ARG A 5 5.098 12.307 1.911 1.00 34.31 H new ATOM 0 HH22 ARG A 5 4.245 11.661 3.317 1.00 34.31 H new ATOM 91 N PRO A 6 10.981 13.625 -1.478 1.00 15.35 N ATOM 92 CA PRO A 6 10.784 14.129 -2.855 1.00 70.23 C ATOM 93 C PRO A 6 9.462 14.901 -3.039 1.00 72.30 C ATOM 94 O PRO A 6 8.443 14.572 -2.426 1.00 53.45 O ATOM 95 CB PRO A 6 10.783 12.849 -3.706 1.00 64.41 C ATOM 96 CG PRO A 6 11.569 11.866 -2.906 1.00 61.53 C ATOM 97 CD PRO A 6 11.267 12.178 -1.461 1.00 64.41 C ATOM 0 HA PRO A 6 11.557 14.847 -3.130 1.00 70.23 H new ATOM 0 HB2 PRO A 6 9.769 12.493 -3.886 1.00 64.41 H new ATOM 0 HB3 PRO A 6 11.238 13.021 -4.681 1.00 64.41 H new ATOM 0 HG2 PRO A 6 11.284 10.843 -3.153 1.00 61.53 H new ATOM 0 HG3 PRO A 6 12.635 11.958 -3.111 1.00 61.53 H new ATOM 0 HD2 PRO A 6 10.416 11.604 -1.095 1.00 64.41 H new ATOM 0 HD3 PRO A 6 12.112 11.943 -0.814 1.00 64.41 H new ATOM 105 N GLY A 7 9.488 15.925 -3.892 1.00 25.52 N ATOM 106 CA GLY A 7 8.307 16.756 -4.117 1.00 65.00 C ATOM 107 C GLY A 7 7.708 16.598 -5.513 1.00 33.50 C ATOM 108 O GLY A 7 8.058 15.678 -6.256 1.00 54.24 O ATOM 0 H GLY A 7 10.308 16.197 -4.435 1.00 25.52 H new ATOM 0 HA2 GLY A 7 7.549 16.505 -3.375 1.00 65.00 H new ATOM 0 HA3 GLY A 7 8.573 17.801 -3.961 1.00 65.00 H new ATOM 112 N GLY A 8 6.799 17.503 -5.875 1.00 30.03 N ATOM 113 CA GLY A 8 6.148 17.441 -7.183 1.00 22.32 C ATOM 114 C GLY A 8 4.635 17.287 -7.089 1.00 22.11 C ATOM 115 O GLY A 8 3.893 17.876 -7.878 1.00 20.13 O ATOM 0 H GLY A 8 6.499 18.281 -5.287 1.00 30.03 H new ATOM 0 HA2 GLY A 8 6.381 18.347 -7.742 1.00 22.32 H new ATOM 0 HA3 GLY A 8 6.558 16.604 -7.748 1.00 22.32 H new ATOM 119 N GLY A 9 4.171 16.480 -6.139 1.00 33.05 N ATOM 120 CA GLY A 9 2.735 16.301 -5.935 1.00 74.50 C ATOM 121 C GLY A 9 2.117 15.204 -6.804 1.00 73.22 C ATOM 122 O GLY A 9 1.403 14.335 -6.299 1.00 13.43 O ATOM 0 H GLY A 9 4.761 15.944 -5.503 1.00 33.05 H new ATOM 0 HA2 GLY A 9 2.554 16.065 -4.886 1.00 74.50 H new ATOM 0 HA3 GLY A 9 2.228 17.244 -6.142 1.00 74.50 H new ATOM 126 N LEU A 10 2.376 15.249 -8.112 1.00 15.25 N ATOM 127 CA LEU A 10 1.821 14.260 -9.050 1.00 74.53 C ATOM 128 C LEU A 10 2.770 13.067 -9.251 1.00 12.44 C ATOM 129 O LEU A 10 2.341 11.912 -9.241 1.00 54.13 O ATOM 130 CB LEU A 10 1.525 14.921 -10.406 1.00 21.52 C ATOM 131 CG LEU A 10 0.505 16.070 -10.368 1.00 34.34 C ATOM 132 CD1 LEU A 10 0.305 16.658 -11.762 1.00 15.54 C ATOM 133 CD2 LEU A 10 -0.825 15.595 -9.783 1.00 31.02 C ATOM 0 H LEU A 10 2.965 15.957 -8.550 1.00 15.25 H new ATOM 0 HA LEU A 10 0.895 13.883 -8.616 1.00 74.53 H new ATOM 0 HB2 LEU A 10 2.460 15.301 -10.818 1.00 21.52 H new ATOM 0 HB3 LEU A 10 1.161 14.157 -11.092 1.00 21.52 H new ATOM 0 HG LEU A 10 0.898 16.854 -9.721 1.00 34.34 H new ATOM 0 HD11 LEU A 10 -0.421 17.470 -11.714 1.00 15.54 H new ATOM 0 HD12 LEU A 10 1.255 17.042 -12.135 1.00 15.54 H new ATOM 0 HD13 LEU A 10 -0.062 15.883 -12.435 1.00 15.54 H new ATOM 0 HD21 LEU A 10 -1.532 16.425 -9.766 1.00 31.02 H new ATOM 0 HD22 LEU A 10 -1.226 14.789 -10.398 1.00 31.02 H new ATOM 0 HD23 LEU A 10 -0.667 15.232 -8.768 1.00 31.02 H new ATOM 145 N LYS A 11 4.054 13.353 -9.460 1.00 4.11 N ATOM 146 CA LYS A 11 5.068 12.298 -9.634 1.00 25.15 C ATOM 147 C LYS A 11 6.050 12.258 -8.449 1.00 43.12 C ATOM 148 O LYS A 11 7.198 11.832 -8.583 1.00 4.55 O ATOM 149 CB LYS A 11 5.822 12.510 -10.957 1.00 1.54 C ATOM 150 CG LYS A 11 6.562 13.841 -11.055 1.00 33.23 C ATOM 151 CD LYS A 11 7.197 14.031 -12.430 1.00 31.21 C ATOM 152 CE LYS A 11 7.937 15.358 -12.533 1.00 42.33 C ATOM 153 NZ LYS A 11 9.094 15.431 -11.601 1.00 31.02 N ATOM 0 H LYS A 11 4.423 14.302 -9.514 1.00 4.11 H new ATOM 0 HA LYS A 11 4.556 11.336 -9.666 1.00 25.15 H new ATOM 0 HB2 LYS A 11 6.539 11.699 -11.086 1.00 1.54 H new ATOM 0 HB3 LYS A 11 5.112 12.442 -11.781 1.00 1.54 H new ATOM 0 HG2 LYS A 11 5.869 14.659 -10.858 1.00 33.23 H new ATOM 0 HG3 LYS A 11 7.335 13.886 -10.287 1.00 33.23 H new ATOM 0 HD2 LYS A 11 7.889 13.213 -12.627 1.00 31.21 H new ATOM 0 HD3 LYS A 11 6.424 13.986 -13.197 1.00 31.21 H new ATOM 0 HE2 LYS A 11 8.287 15.498 -13.556 1.00 42.33 H new ATOM 0 HE3 LYS A 11 7.247 16.174 -12.318 1.00 42.33 H new ATOM 0 HZ1 LYS A 11 9.665 16.272 -11.822 1.00 31.02 H new ATOM 0 HZ2 LYS A 11 8.748 15.494 -10.622 1.00 31.02 H new ATOM 0 HZ3 LYS A 11 9.679 14.578 -11.707 1.00 31.02 H new ATOM 167 N ASP A 12 5.568 12.671 -7.279 1.00 34.41 N ATOM 168 CA ASP A 12 6.370 12.682 -6.049 1.00 35.15 C ATOM 169 C ASP A 12 6.671 11.253 -5.559 1.00 55.43 C ATOM 170 O ASP A 12 7.631 11.014 -4.826 1.00 61.42 O ATOM 171 CB ASP A 12 5.618 13.463 -4.957 1.00 52.31 C ATOM 172 CG ASP A 12 4.301 12.804 -4.545 1.00 60.11 C ATOM 173 OD1 ASP A 12 3.631 12.191 -5.405 1.00 44.32 O ATOM 174 OD2 ASP A 12 3.921 12.909 -3.358 1.00 64.32 O ATOM 0 H ASP A 12 4.613 13.007 -7.153 1.00 34.41 H new ATOM 0 HA ASP A 12 7.322 13.167 -6.265 1.00 35.15 H new ATOM 0 HB2 ASP A 12 6.259 13.558 -4.081 1.00 52.31 H new ATOM 0 HB3 ASP A 12 5.416 14.472 -5.315 1.00 52.31 H new ATOM 179 N THR A 13 5.831 10.316 -5.979 1.00 43.02 N ATOM 180 CA THR A 13 5.903 8.927 -5.520 1.00 70.24 C ATOM 181 C THR A 13 5.861 7.939 -6.696 1.00 61.21 C ATOM 182 O THR A 13 5.137 8.150 -7.670 1.00 43.55 O ATOM 183 CB THR A 13 4.737 8.620 -4.546 1.00 45.20 C ATOM 184 OG1 THR A 13 3.493 9.109 -5.079 1.00 62.24 O ATOM 185 CG2 THR A 13 4.972 9.249 -3.181 1.00 75.11 C ATOM 0 H THR A 13 5.080 10.493 -6.646 1.00 43.02 H new ATOM 0 HA THR A 13 6.855 8.804 -5.003 1.00 70.24 H new ATOM 0 HB THR A 13 4.689 7.537 -4.431 1.00 45.20 H new ATOM 0 HG1 THR A 13 3.540 10.083 -5.179 1.00 62.24 H new ATOM 0 HG21 THR A 13 4.135 9.014 -2.523 1.00 75.11 H new ATOM 0 HG22 THR A 13 5.893 8.854 -2.752 1.00 75.11 H new ATOM 0 HG23 THR A 13 5.056 10.330 -3.288 1.00 75.11 H new ATOM 193 N LYS A 14 6.651 6.866 -6.603 1.00 53.33 N ATOM 194 CA LYS A 14 6.708 5.841 -7.658 1.00 63.42 C ATOM 195 C LYS A 14 5.528 4.857 -7.549 1.00 11.12 C ATOM 196 O LYS A 14 5.164 4.436 -6.450 1.00 54.11 O ATOM 197 CB LYS A 14 8.032 5.062 -7.574 1.00 43.15 C ATOM 198 CG LYS A 14 9.279 5.902 -7.847 1.00 70.51 C ATOM 199 CD LYS A 14 9.304 6.436 -9.277 1.00 21.30 C ATOM 200 CE LYS A 14 10.611 7.161 -9.588 1.00 60.32 C ATOM 201 NZ LYS A 14 11.792 6.259 -9.484 1.00 55.05 N ATOM 0 H LYS A 14 7.262 6.681 -5.808 1.00 53.33 H new ATOM 0 HA LYS A 14 6.644 6.353 -8.618 1.00 63.42 H new ATOM 0 HB2 LYS A 14 8.117 4.620 -6.581 1.00 43.15 H new ATOM 0 HB3 LYS A 14 8.001 4.239 -8.287 1.00 43.15 H new ATOM 0 HG2 LYS A 14 9.315 6.737 -7.147 1.00 70.51 H new ATOM 0 HG3 LYS A 14 10.169 5.299 -7.669 1.00 70.51 H new ATOM 0 HD2 LYS A 14 9.171 5.610 -9.976 1.00 21.30 H new ATOM 0 HD3 LYS A 14 8.466 7.117 -9.425 1.00 21.30 H new ATOM 0 HE2 LYS A 14 10.562 7.579 -10.593 1.00 60.32 H new ATOM 0 HE3 LYS A 14 10.733 7.998 -8.900 1.00 60.32 H new ATOM 0 HZ1 LYS A 14 12.612 6.707 -9.940 1.00 55.05 H new ATOM 0 HZ2 LYS A 14 12.007 6.082 -8.482 1.00 55.05 H new ATOM 0 HZ3 LYS A 14 11.583 5.357 -9.957 1.00 55.05 H new ATOM 215 N PRO A 15 4.921 4.468 -8.688 1.00 24.11 N ATOM 216 CA PRO A 15 3.775 3.546 -8.702 1.00 23.25 C ATOM 217 C PRO A 15 4.163 2.061 -8.518 1.00 33.34 C ATOM 218 O PRO A 15 4.851 1.469 -9.353 1.00 34.50 O ATOM 219 CB PRO A 15 3.169 3.780 -10.091 1.00 42.43 C ATOM 220 CG PRO A 15 4.333 4.160 -10.947 1.00 31.14 C ATOM 221 CD PRO A 15 5.293 4.907 -10.052 1.00 14.11 C ATOM 0 HA PRO A 15 3.096 3.740 -7.871 1.00 23.25 H new ATOM 0 HB2 PRO A 15 2.677 2.883 -10.466 1.00 42.43 H new ATOM 0 HB3 PRO A 15 2.418 4.570 -10.069 1.00 42.43 H new ATOM 0 HG2 PRO A 15 4.807 3.276 -11.373 1.00 31.14 H new ATOM 0 HG3 PRO A 15 4.014 4.784 -11.782 1.00 31.14 H new ATOM 0 HD2 PRO A 15 6.329 4.660 -10.283 1.00 14.11 H new ATOM 0 HD3 PRO A 15 5.189 5.986 -10.167 1.00 14.11 H new ATOM 229 N VAL A 16 3.714 1.470 -7.413 1.00 10.30 N ATOM 230 CA VAL A 16 3.907 0.040 -7.143 1.00 63.42 C ATOM 231 C VAL A 16 2.550 -0.659 -6.924 1.00 63.51 C ATOM 232 O VAL A 16 1.634 -0.085 -6.331 1.00 13.34 O ATOM 233 CB VAL A 16 4.822 -0.182 -5.907 1.00 33.32 C ATOM 234 CG1 VAL A 16 4.229 0.473 -4.659 1.00 20.12 C ATOM 235 CG2 VAL A 16 5.078 -1.672 -5.672 1.00 1.15 C ATOM 0 H VAL A 16 3.207 1.964 -6.679 1.00 10.30 H new ATOM 0 HA VAL A 16 4.395 -0.397 -8.014 1.00 63.42 H new ATOM 0 HB VAL A 16 5.780 0.295 -6.113 1.00 33.32 H new ATOM 0 HG11 VAL A 16 4.890 0.302 -3.809 1.00 20.12 H new ATOM 0 HG12 VAL A 16 4.123 1.545 -4.826 1.00 20.12 H new ATOM 0 HG13 VAL A 16 3.251 0.040 -4.451 1.00 20.12 H new ATOM 0 HG21 VAL A 16 5.721 -1.798 -4.801 1.00 1.15 H new ATOM 0 HG22 VAL A 16 4.130 -2.181 -5.500 1.00 1.15 H new ATOM 0 HG23 VAL A 16 5.566 -2.100 -6.548 1.00 1.15 H new ATOM 245 N VAL A 17 2.412 -1.888 -7.417 1.00 12.30 N ATOM 246 CA VAL A 17 1.139 -2.617 -7.317 1.00 4.42 C ATOM 247 C VAL A 17 1.117 -3.585 -6.118 1.00 22.34 C ATOM 248 O VAL A 17 2.059 -4.347 -5.895 1.00 11.12 O ATOM 249 CB VAL A 17 0.830 -3.397 -8.625 1.00 3.51 C ATOM 250 CG1 VAL A 17 1.927 -4.417 -8.935 1.00 44.52 C ATOM 251 CG2 VAL A 17 -0.542 -4.071 -8.552 1.00 32.34 C ATOM 0 H VAL A 17 3.157 -2.401 -7.887 1.00 12.30 H new ATOM 0 HA VAL A 17 0.365 -1.865 -7.161 1.00 4.42 H new ATOM 0 HB VAL A 17 0.807 -2.676 -9.443 1.00 3.51 H new ATOM 0 HG11 VAL A 17 1.682 -4.946 -9.856 1.00 44.52 H new ATOM 0 HG12 VAL A 17 2.880 -3.901 -9.056 1.00 44.52 H new ATOM 0 HG13 VAL A 17 2.002 -5.131 -8.115 1.00 44.52 H new ATOM 0 HG21 VAL A 17 -0.733 -4.610 -9.480 1.00 32.34 H new ATOM 0 HG22 VAL A 17 -0.560 -4.771 -7.716 1.00 32.34 H new ATOM 0 HG23 VAL A 17 -1.312 -3.313 -8.407 1.00 32.34 H new ATOM 261 N VAL A 18 0.035 -3.536 -5.345 1.00 2.14 N ATOM 262 CA VAL A 18 -0.177 -4.456 -4.222 1.00 40.21 C ATOM 263 C VAL A 18 -1.549 -5.144 -4.347 1.00 4.22 C ATOM 264 O VAL A 18 -2.443 -4.632 -5.014 1.00 31.23 O ATOM 265 CB VAL A 18 -0.075 -3.710 -2.864 1.00 50.52 C ATOM 266 CG1 VAL A 18 -1.190 -2.673 -2.715 1.00 52.14 C ATOM 267 CG2 VAL A 18 -0.085 -4.697 -1.696 1.00 24.42 C ATOM 0 H VAL A 18 -0.719 -2.862 -5.476 1.00 2.14 H new ATOM 0 HA VAL A 18 0.605 -5.215 -4.254 1.00 40.21 H new ATOM 0 HB VAL A 18 0.876 -3.178 -2.848 1.00 50.52 H new ATOM 0 HG11 VAL A 18 -1.091 -2.168 -1.754 1.00 52.14 H new ATOM 0 HG12 VAL A 18 -1.116 -1.941 -3.519 1.00 52.14 H new ATOM 0 HG13 VAL A 18 -2.159 -3.170 -2.765 1.00 52.14 H new ATOM 0 HG21 VAL A 18 -0.013 -4.149 -0.756 1.00 24.42 H new ATOM 0 HG22 VAL A 18 -1.012 -5.270 -1.712 1.00 24.42 H new ATOM 0 HG23 VAL A 18 0.763 -5.376 -1.786 1.00 24.42 H new ATOM 277 N ARG A 19 -1.722 -6.307 -3.722 1.00 21.32 N ATOM 278 CA ARG A 19 -2.975 -7.065 -3.859 1.00 51.35 C ATOM 279 C ARG A 19 -3.773 -7.120 -2.542 1.00 71.51 C ATOM 280 O ARG A 19 -3.214 -7.368 -1.475 1.00 42.50 O ATOM 281 CB ARG A 19 -2.677 -8.485 -4.354 1.00 53.14 C ATOM 282 CG ARG A 19 -1.948 -8.534 -5.696 1.00 64.33 C ATOM 283 CD ARG A 19 -1.840 -9.958 -6.237 1.00 23.21 C ATOM 284 NE ARG A 19 -3.153 -10.535 -6.524 1.00 41.04 N ATOM 285 CZ ARG A 19 -3.373 -11.468 -7.413 1.00 44.33 C ATOM 286 NH1 ARG A 19 -2.398 -11.997 -8.072 1.00 44.14 N ATOM 287 NH2 ARG A 19 -4.574 -11.887 -7.631 1.00 71.43 N ATOM 0 H ARG A 19 -1.023 -6.745 -3.122 1.00 21.32 H new ATOM 0 HA ARG A 19 -3.593 -6.543 -4.590 1.00 51.35 H new ATOM 0 HB2 ARG A 19 -2.075 -9.001 -3.606 1.00 53.14 H new ATOM 0 HB3 ARG A 19 -3.615 -9.033 -4.441 1.00 53.14 H new ATOM 0 HG2 ARG A 19 -2.476 -7.911 -6.418 1.00 64.33 H new ATOM 0 HG3 ARG A 19 -0.949 -8.113 -5.582 1.00 64.33 H new ATOM 0 HD2 ARG A 19 -1.238 -9.956 -7.146 1.00 23.21 H new ATOM 0 HD3 ARG A 19 -1.320 -10.583 -5.511 1.00 23.21 H new ATOM 0 HE ARG A 19 -3.952 -10.186 -5.994 1.00 41.04 H new ATOM 0 HH11 ARG A 19 -1.441 -11.688 -7.902 1.00 44.14 H new ATOM 0 HH12 ARG A 19 -2.584 -12.724 -8.763 1.00 44.14 H new ATOM 0 HH21 ARG A 19 -5.355 -11.490 -7.109 1.00 71.43 H new ATOM 0 HH22 ARG A 19 -4.742 -12.615 -8.325 1.00 71.43 H new ATOM 301 N LEU A 20 -5.090 -6.898 -2.638 1.00 43.43 N ATOM 302 CA LEU A 20 -5.988 -6.927 -1.466 1.00 65.21 C ATOM 303 C LEU A 20 -7.256 -7.758 -1.763 1.00 35.52 C ATOM 304 O LEU A 20 -7.692 -7.845 -2.912 1.00 14.10 O ATOM 305 CB LEU A 20 -6.375 -5.490 -1.072 1.00 62.42 C ATOM 306 CG LEU A 20 -7.205 -5.350 0.219 1.00 20.31 C ATOM 307 CD1 LEU A 20 -6.429 -5.874 1.427 1.00 52.44 C ATOM 308 CD2 LEU A 20 -7.625 -3.896 0.438 1.00 2.33 C ATOM 0 H LEU A 20 -5.564 -6.695 -3.518 1.00 43.43 H new ATOM 0 HA LEU A 20 -5.461 -7.399 -0.637 1.00 65.21 H new ATOM 0 HB2 LEU A 20 -5.462 -4.906 -0.960 1.00 62.42 H new ATOM 0 HB3 LEU A 20 -6.938 -5.047 -1.894 1.00 62.42 H new ATOM 0 HG LEU A 20 -8.106 -5.954 0.107 1.00 20.31 H new ATOM 0 HD11 LEU A 20 -7.036 -5.764 2.325 1.00 52.44 H new ATOM 0 HD12 LEU A 20 -6.190 -6.927 1.277 1.00 52.44 H new ATOM 0 HD13 LEU A 20 -5.506 -5.305 1.541 1.00 52.44 H new ATOM 0 HD21 LEU A 20 -8.210 -3.820 1.355 1.00 2.33 H new ATOM 0 HD22 LEU A 20 -6.737 -3.269 0.521 1.00 2.33 H new ATOM 0 HD23 LEU A 20 -8.228 -3.560 -0.406 1.00 2.33 H new ATOM 320 N TYR A 21 -7.841 -8.372 -0.730 1.00 65.24 N ATOM 321 CA TYR A 21 -9.041 -9.211 -0.903 1.00 12.34 C ATOM 322 C TYR A 21 -10.277 -8.369 -1.281 1.00 42.23 C ATOM 323 O TYR A 21 -10.474 -7.272 -0.751 1.00 62.35 O ATOM 324 CB TYR A 21 -9.326 -10.010 0.380 1.00 74.52 C ATOM 325 CG TYR A 21 -8.275 -11.061 0.707 1.00 75.54 C ATOM 326 CD1 TYR A 21 -7.056 -10.708 1.284 1.00 34.14 C ATOM 327 CD2 TYR A 21 -8.507 -12.410 0.450 1.00 15.35 C ATOM 328 CE1 TYR A 21 -6.106 -11.663 1.590 1.00 62.01 C ATOM 329 CE2 TYR A 21 -7.559 -13.369 0.755 1.00 14.30 C ATOM 330 CZ TYR A 21 -6.362 -12.992 1.325 1.00 32.23 C ATOM 331 OH TYR A 21 -5.418 -13.947 1.632 1.00 23.35 O ATOM 0 H TYR A 21 -7.509 -8.307 0.232 1.00 65.24 H new ATOM 0 HA TYR A 21 -8.841 -9.902 -1.722 1.00 12.34 H new ATOM 0 HB2 TYR A 21 -9.403 -9.316 1.217 1.00 74.52 H new ATOM 0 HB3 TYR A 21 -10.295 -10.500 0.282 1.00 74.52 H new ATOM 0 HD1 TYR A 21 -6.851 -9.669 1.496 1.00 34.14 H new ATOM 0 HD2 TYR A 21 -9.443 -12.712 0.005 1.00 15.35 H new ATOM 0 HE1 TYR A 21 -5.167 -11.370 2.035 1.00 62.01 H new ATOM 0 HE2 TYR A 21 -7.756 -14.410 0.547 1.00 14.30 H new ATOM 0 HH TYR A 21 -5.756 -14.833 1.383 1.00 23.35 H new ATOM 341 N PRO A 22 -11.140 -8.881 -2.192 1.00 31.42 N ATOM 342 CA PRO A 22 -12.335 -8.149 -2.661 1.00 62.24 C ATOM 343 C PRO A 22 -13.290 -7.777 -1.513 1.00 13.11 C ATOM 344 O PRO A 22 -13.910 -6.711 -1.531 1.00 41.40 O ATOM 345 CB PRO A 22 -13.006 -9.131 -3.642 1.00 5.11 C ATOM 346 CG PRO A 22 -12.425 -10.468 -3.313 1.00 71.24 C ATOM 347 CD PRO A 22 -11.026 -10.203 -2.832 1.00 43.31 C ATOM 0 HA PRO A 22 -12.070 -7.196 -3.118 1.00 62.24 H new ATOM 0 HB2 PRO A 22 -14.089 -9.131 -3.520 1.00 5.11 H new ATOM 0 HB3 PRO A 22 -12.801 -8.856 -4.677 1.00 5.11 H new ATOM 0 HG2 PRO A 22 -13.013 -10.971 -2.545 1.00 71.24 H new ATOM 0 HG3 PRO A 22 -12.421 -11.118 -4.188 1.00 71.24 H new ATOM 0 HD2 PRO A 22 -10.690 -10.964 -2.128 1.00 43.31 H new ATOM 0 HD3 PRO A 22 -10.311 -10.193 -3.655 1.00 43.31 H new ATOM 355 N ASP A 23 -13.395 -8.661 -0.516 1.00 43.33 N ATOM 356 CA ASP A 23 -14.187 -8.395 0.692 1.00 12.51 C ATOM 357 C ASP A 23 -13.746 -7.078 1.344 1.00 3.23 C ATOM 358 O ASP A 23 -14.566 -6.240 1.726 1.00 54.21 O ATOM 359 CB ASP A 23 -14.003 -9.532 1.705 1.00 33.12 C ATOM 360 CG ASP A 23 -14.164 -10.905 1.085 1.00 42.33 C ATOM 361 OD1 ASP A 23 -13.252 -11.335 0.344 1.00 42.14 O ATOM 362 OD2 ASP A 23 -15.193 -11.568 1.347 1.00 31.52 O ATOM 0 H ASP A 23 -12.939 -9.573 -0.521 1.00 43.33 H new ATOM 0 HA ASP A 23 -15.235 -8.324 0.401 1.00 12.51 H new ATOM 0 HB2 ASP A 23 -13.013 -9.455 2.154 1.00 33.12 H new ATOM 0 HB3 ASP A 23 -14.728 -9.415 2.511 1.00 33.12 H new ATOM 367 N GLU A 24 -12.431 -6.914 1.451 1.00 74.54 N ATOM 368 CA GLU A 24 -11.830 -5.744 2.085 1.00 55.30 C ATOM 369 C GLU A 24 -11.910 -4.515 1.175 1.00 70.10 C ATOM 370 O GLU A 24 -12.248 -3.425 1.625 1.00 62.34 O ATOM 371 CB GLU A 24 -10.375 -6.050 2.433 1.00 64.21 C ATOM 372 CG GLU A 24 -10.217 -7.282 3.310 1.00 34.33 C ATOM 373 CD GLU A 24 -8.771 -7.566 3.659 1.00 14.53 C ATOM 374 OE1 GLU A 24 -8.300 -7.052 4.688 1.00 23.33 O ATOM 375 OE2 GLU A 24 -8.111 -8.316 2.909 1.00 42.03 O ATOM 0 H GLU A 24 -11.751 -7.589 1.101 1.00 74.54 H new ATOM 0 HA GLU A 24 -12.386 -5.518 2.995 1.00 55.30 H new ATOM 0 HB2 GLU A 24 -9.810 -6.192 1.512 1.00 64.21 H new ATOM 0 HB3 GLU A 24 -9.941 -5.190 2.944 1.00 64.21 H new ATOM 0 HG2 GLU A 24 -10.789 -7.146 4.228 1.00 34.33 H new ATOM 0 HG3 GLU A 24 -10.640 -8.146 2.797 1.00 34.33 H new ATOM 382 N ILE A 25 -11.597 -4.702 -0.106 1.00 24.02 N ATOM 383 CA ILE A 25 -11.712 -3.626 -1.100 1.00 64.40 C ATOM 384 C ILE A 25 -13.117 -3.003 -1.081 1.00 52.11 C ATOM 385 O ILE A 25 -13.271 -1.782 -1.158 1.00 43.25 O ATOM 386 CB ILE A 25 -11.392 -4.149 -2.524 1.00 53.11 C ATOM 387 CG1 ILE A 25 -9.929 -4.616 -2.597 1.00 61.44 C ATOM 388 CG2 ILE A 25 -11.679 -3.080 -3.581 1.00 34.02 C ATOM 389 CD1 ILE A 25 -9.525 -5.167 -3.946 1.00 71.15 C ATOM 0 H ILE A 25 -11.261 -5.588 -0.484 1.00 24.02 H new ATOM 0 HA ILE A 25 -10.985 -2.859 -0.835 1.00 64.40 H new ATOM 0 HB ILE A 25 -12.040 -5.000 -2.734 1.00 53.11 H new ATOM 0 HG12 ILE A 25 -9.278 -3.778 -2.349 1.00 61.44 H new ATOM 0 HG13 ILE A 25 -9.765 -5.382 -1.839 1.00 61.44 H new ATOM 0 HG21 ILE A 25 -11.446 -3.474 -4.570 1.00 34.02 H new ATOM 0 HG22 ILE A 25 -12.732 -2.802 -3.541 1.00 34.02 H new ATOM 0 HG23 ILE A 25 -11.064 -2.201 -3.386 1.00 34.02 H new ATOM 0 HD11 ILE A 25 -8.480 -5.474 -3.915 1.00 71.15 H new ATOM 0 HD12 ILE A 25 -10.149 -6.027 -4.190 1.00 71.15 H new ATOM 0 HD13 ILE A 25 -9.655 -4.397 -4.707 1.00 71.15 H new ATOM 401 N GLU A 26 -14.134 -3.853 -0.970 1.00 52.32 N ATOM 402 CA GLU A 26 -15.519 -3.393 -0.842 1.00 55.11 C ATOM 403 C GLU A 26 -15.753 -2.716 0.520 1.00 1.50 C ATOM 404 O GLU A 26 -16.281 -1.604 0.595 1.00 64.32 O ATOM 405 CB GLU A 26 -16.478 -4.573 -1.021 1.00 74.32 C ATOM 406 CG GLU A 26 -17.950 -4.190 -0.952 1.00 30.32 C ATOM 407 CD GLU A 26 -18.865 -5.379 -1.181 1.00 20.25 C ATOM 408 OE1 GLU A 26 -19.213 -5.651 -2.351 1.00 65.21 O ATOM 409 OE2 GLU A 26 -19.236 -6.048 -0.195 1.00 21.32 O ATOM 0 H GLU A 26 -14.027 -4.867 -0.966 1.00 52.32 H new ATOM 0 HA GLU A 26 -15.710 -2.655 -1.621 1.00 55.11 H new ATOM 0 HB2 GLU A 26 -16.281 -5.046 -1.983 1.00 74.32 H new ATOM 0 HB3 GLU A 26 -16.270 -5.317 -0.252 1.00 74.32 H new ATOM 0 HG2 GLU A 26 -18.164 -3.752 0.023 1.00 30.32 H new ATOM 0 HG3 GLU A 26 -18.159 -3.424 -1.699 1.00 30.32 H new ATOM 416 N ALA A 27 -15.337 -3.388 1.595 1.00 70.14 N ATOM 417 CA ALA A 27 -15.452 -2.837 2.952 1.00 65.33 C ATOM 418 C ALA A 27 -14.625 -1.551 3.120 1.00 73.33 C ATOM 419 O ALA A 27 -14.831 -0.781 4.059 1.00 52.40 O ATOM 420 CB ALA A 27 -15.022 -3.880 3.978 1.00 42.44 C ATOM 0 H ALA A 27 -14.916 -4.316 1.555 1.00 70.14 H new ATOM 0 HA ALA A 27 -16.498 -2.577 3.117 1.00 65.33 H new ATOM 0 HB1 ALA A 27 -15.111 -3.462 4.981 1.00 42.44 H new ATOM 0 HB2 ALA A 27 -15.661 -4.759 3.893 1.00 42.44 H new ATOM 0 HB3 ALA A 27 -13.986 -4.166 3.794 1.00 42.44 H new ATOM 426 N LEU A 28 -13.680 -1.334 2.207 1.00 13.44 N ATOM 427 CA LEU A 28 -12.841 -0.134 2.215 1.00 22.30 C ATOM 428 C LEU A 28 -13.502 1.009 1.436 1.00 3.14 C ATOM 429 O LEU A 28 -13.681 2.106 1.961 1.00 65.42 O ATOM 430 CB LEU A 28 -11.464 -0.449 1.614 1.00 12.13 C ATOM 431 CG LEU A 28 -10.436 0.688 1.702 1.00 45.55 C ATOM 432 CD1 LEU A 28 -10.176 1.064 3.159 1.00 2.44 C ATOM 433 CD2 LEU A 28 -9.140 0.292 1.001 1.00 2.12 C ATOM 0 H LEU A 28 -13.474 -1.980 1.445 1.00 13.44 H new ATOM 0 HA LEU A 28 -12.718 0.185 3.250 1.00 22.30 H new ATOM 0 HB2 LEU A 28 -11.057 -1.325 2.119 1.00 12.13 H new ATOM 0 HB3 LEU A 28 -11.596 -0.718 0.566 1.00 12.13 H new ATOM 0 HG LEU A 28 -10.842 1.563 1.194 1.00 45.55 H new ATOM 0 HD11 LEU A 28 -9.445 1.871 3.202 1.00 2.44 H new ATOM 0 HD12 LEU A 28 -11.107 1.392 3.622 1.00 2.44 H new ATOM 0 HD13 LEU A 28 -9.791 0.197 3.695 1.00 2.44 H new ATOM 0 HD21 LEU A 28 -8.423 1.110 1.073 1.00 2.12 H new ATOM 0 HD22 LEU A 28 -8.726 -0.597 1.477 1.00 2.12 H new ATOM 0 HD23 LEU A 28 -9.344 0.080 -0.049 1.00 2.12 H new ATOM 445 N LYS A 29 -13.874 0.744 0.178 1.00 63.01 N ATOM 446 CA LYS A 29 -14.520 1.760 -0.671 1.00 14.33 C ATOM 447 C LYS A 29 -15.825 2.270 -0.038 1.00 32.41 C ATOM 448 O LYS A 29 -16.256 3.392 -0.295 1.00 44.43 O ATOM 449 CB LYS A 29 -14.805 1.197 -2.072 1.00 43.41 C ATOM 450 CG LYS A 29 -15.806 0.044 -2.082 1.00 55.22 C ATOM 451 CD LYS A 29 -16.130 -0.435 -3.497 1.00 64.21 C ATOM 452 CE LYS A 29 -14.905 -0.994 -4.220 1.00 41.12 C ATOM 453 NZ LYS A 29 -15.255 -1.526 -5.564 1.00 54.14 N ATOM 0 H LYS A 29 -13.741 -0.160 -0.276 1.00 63.01 H new ATOM 0 HA LYS A 29 -13.830 2.599 -0.759 1.00 14.33 H new ATOM 0 HB2 LYS A 29 -15.183 1.999 -2.706 1.00 43.41 H new ATOM 0 HB3 LYS A 29 -13.869 0.856 -2.514 1.00 43.41 H new ATOM 0 HG2 LYS A 29 -15.404 -0.787 -1.503 1.00 55.22 H new ATOM 0 HG3 LYS A 29 -16.725 0.360 -1.589 1.00 55.22 H new ATOM 0 HD2 LYS A 29 -16.902 -1.203 -3.449 1.00 64.21 H new ATOM 0 HD3 LYS A 29 -16.541 0.394 -4.073 1.00 64.21 H new ATOM 0 HE2 LYS A 29 -14.154 -0.211 -4.323 1.00 41.12 H new ATOM 0 HE3 LYS A 29 -14.458 -1.787 -3.620 1.00 41.12 H new ATOM 0 HZ1 LYS A 29 -14.399 -1.897 -6.024 1.00 54.14 H new ATOM 0 HZ2 LYS A 29 -15.953 -2.291 -5.464 1.00 54.14 H new ATOM 0 HZ3 LYS A 29 -15.658 -0.763 -6.145 1.00 54.14 H new ATOM 467 N SER A 30 -16.438 1.435 0.798 1.00 2.40 N ATOM 468 CA SER A 30 -17.669 1.800 1.512 1.00 3.31 C ATOM 469 C SER A 30 -17.428 2.934 2.526 1.00 44.32 C ATOM 470 O SER A 30 -18.370 3.591 2.974 1.00 61.23 O ATOM 471 CB SER A 30 -18.232 0.565 2.235 1.00 74.42 C ATOM 472 OG SER A 30 -19.488 0.831 2.839 1.00 4.43 O ATOM 0 H SER A 30 -16.103 0.493 1.002 1.00 2.40 H new ATOM 0 HA SER A 30 -18.388 2.161 0.777 1.00 3.31 H new ATOM 0 HB2 SER A 30 -18.338 -0.255 1.524 1.00 74.42 H new ATOM 0 HB3 SER A 30 -17.525 0.237 2.997 1.00 74.42 H new ATOM 0 HG SER A 30 -19.608 1.799 2.931 1.00 4.43 H new ATOM 478 N ARG A 31 -16.160 3.170 2.872 1.00 42.35 N ATOM 479 CA ARG A 31 -15.802 4.184 3.877 1.00 73.02 C ATOM 480 C ARG A 31 -14.566 5.017 3.470 1.00 33.20 C ATOM 481 O ARG A 31 -13.775 5.429 4.325 1.00 10.02 O ATOM 482 CB ARG A 31 -15.562 3.504 5.235 1.00 22.30 C ATOM 483 CG ARG A 31 -14.596 2.321 5.187 1.00 70.40 C ATOM 484 CD ARG A 31 -14.326 1.766 6.584 1.00 23.44 C ATOM 485 NE ARG A 31 -13.550 0.524 6.557 1.00 53.44 N ATOM 486 CZ ARG A 31 -12.464 0.326 7.261 1.00 2.34 C ATOM 487 NH1 ARG A 31 -11.914 1.290 7.923 1.00 25.31 N ATOM 488 NH2 ARG A 31 -11.908 -0.840 7.287 1.00 30.33 N ATOM 0 H ARG A 31 -15.362 2.675 2.474 1.00 42.35 H new ATOM 0 HA ARG A 31 -16.639 4.879 3.951 1.00 73.02 H new ATOM 0 HB2 ARG A 31 -15.176 4.245 5.935 1.00 22.30 H new ATOM 0 HB3 ARG A 31 -16.518 3.161 5.630 1.00 22.30 H new ATOM 0 HG2 ARG A 31 -15.011 1.535 4.556 1.00 70.40 H new ATOM 0 HG3 ARG A 31 -13.657 2.634 4.730 1.00 70.40 H new ATOM 0 HD2 ARG A 31 -13.790 2.512 7.170 1.00 23.44 H new ATOM 0 HD3 ARG A 31 -15.275 1.586 7.089 1.00 23.44 H new ATOM 0 HE ARG A 31 -13.875 -0.232 5.954 1.00 53.44 H new ATOM 0 HH11 ARG A 31 -12.326 2.223 7.902 1.00 25.31 H new ATOM 0 HH12 ARG A 31 -11.068 1.118 8.466 1.00 25.31 H new ATOM 0 HH21 ARG A 31 -12.315 -1.611 6.758 1.00 30.33 H new ATOM 0 HH22 ARG A 31 -11.062 -0.989 7.837 1.00 30.33 H new ATOM 502 N VAL A 32 -14.413 5.287 2.173 1.00 40.50 N ATOM 503 CA VAL A 32 -13.326 6.154 1.686 1.00 44.31 C ATOM 504 C VAL A 32 -13.755 7.635 1.644 1.00 31.33 C ATOM 505 O VAL A 32 -14.934 7.943 1.461 1.00 22.51 O ATOM 506 CB VAL A 32 -12.836 5.731 0.277 1.00 25.44 C ATOM 507 CG1 VAL A 32 -12.150 4.370 0.326 1.00 33.32 C ATOM 508 CG2 VAL A 32 -13.989 5.725 -0.727 1.00 21.22 C ATOM 0 H VAL A 32 -15.022 4.923 1.440 1.00 40.50 H new ATOM 0 HA VAL A 32 -12.506 6.038 2.395 1.00 44.31 H new ATOM 0 HB VAL A 32 -12.105 6.466 -0.058 1.00 25.44 H new ATOM 0 HG11 VAL A 32 -11.815 4.095 -0.674 1.00 33.32 H new ATOM 0 HG12 VAL A 32 -11.291 4.419 0.995 1.00 33.32 H new ATOM 0 HG13 VAL A 32 -12.853 3.621 0.692 1.00 33.32 H new ATOM 0 HG21 VAL A 32 -13.617 5.425 -1.707 1.00 21.22 H new ATOM 0 HG22 VAL A 32 -14.754 5.022 -0.398 1.00 21.22 H new ATOM 0 HG23 VAL A 32 -14.419 6.724 -0.793 1.00 21.22 H new ATOM 518 N PRO A 33 -12.801 8.576 1.826 1.00 34.42 N ATOM 519 CA PRO A 33 -13.087 10.027 1.771 1.00 52.41 C ATOM 520 C PRO A 33 -13.648 10.481 0.407 1.00 74.02 C ATOM 521 O PRO A 33 -13.254 9.972 -0.643 1.00 13.03 O ATOM 522 CB PRO A 33 -11.713 10.674 2.031 1.00 63.44 C ATOM 523 CG PRO A 33 -10.907 9.611 2.703 1.00 54.54 C ATOM 524 CD PRO A 33 -11.382 8.310 2.120 1.00 71.12 C ATOM 0 HA PRO A 33 -13.854 10.310 2.492 1.00 52.41 H new ATOM 0 HB2 PRO A 33 -11.245 10.995 1.100 1.00 63.44 H new ATOM 0 HB3 PRO A 33 -11.806 11.558 2.662 1.00 63.44 H new ATOM 0 HG2 PRO A 33 -9.842 9.755 2.523 1.00 54.54 H new ATOM 0 HG3 PRO A 33 -11.053 9.633 3.783 1.00 54.54 H new ATOM 0 HD2 PRO A 33 -10.827 8.044 1.221 1.00 71.12 H new ATOM 0 HD3 PRO A 33 -11.263 7.486 2.823 1.00 71.12 H new ATOM 532 N ALA A 34 -14.549 11.465 0.428 1.00 0.22 N ATOM 533 CA ALA A 34 -15.194 11.951 -0.801 1.00 72.42 C ATOM 534 C ALA A 34 -14.200 12.659 -1.737 1.00 34.33 C ATOM 535 O ALA A 34 -14.418 12.736 -2.947 1.00 31.11 O ATOM 536 CB ALA A 34 -16.350 12.885 -0.454 1.00 60.20 C ATOM 0 H ALA A 34 -14.850 11.942 1.278 1.00 0.22 H new ATOM 0 HA ALA A 34 -15.578 11.081 -1.334 1.00 72.42 H new ATOM 0 HB1 ALA A 34 -16.820 13.239 -1.372 1.00 60.20 H new ATOM 0 HB2 ALA A 34 -17.084 12.348 0.146 1.00 60.20 H new ATOM 0 HB3 ALA A 34 -15.972 13.737 0.112 1.00 60.20 H new ATOM 542 N ASN A 35 -13.109 13.172 -1.170 1.00 75.40 N ATOM 543 CA ASN A 35 -12.088 13.888 -1.950 1.00 22.25 C ATOM 544 C ASN A 35 -10.854 13.011 -2.231 1.00 20.25 C ATOM 545 O ASN A 35 -9.803 13.522 -2.619 1.00 12.05 O ATOM 546 CB ASN A 35 -11.659 15.157 -1.203 1.00 21.12 C ATOM 547 CG ASN A 35 -12.816 16.108 -0.960 1.00 4.34 C ATOM 548 OD1 ASN A 35 -13.133 16.950 -1.794 1.00 53.41 O ATOM 549 ND2 ASN A 35 -13.448 15.998 0.193 1.00 62.22 N ATOM 0 H ASN A 35 -12.905 13.108 -0.173 1.00 75.40 H new ATOM 0 HA ASN A 35 -12.533 14.151 -2.910 1.00 22.25 H new ATOM 0 HB2 ASN A 35 -11.214 14.879 -0.247 1.00 21.12 H new ATOM 0 HB3 ASN A 35 -10.887 15.669 -1.777 1.00 21.12 H new ATOM 0 HD21 ASN A 35 -14.224 16.623 0.411 1.00 62.22 H new ATOM 0 HD22 ASN A 35 -13.161 15.288 0.866 1.00 62.22 H new ATOM 556 N THR A 36 -10.985 11.695 -2.062 1.00 21.11 N ATOM 557 CA THR A 36 -9.842 10.782 -2.219 1.00 35.20 C ATOM 558 C THR A 36 -10.260 9.427 -2.813 1.00 41.10 C ATOM 559 O THR A 36 -11.136 8.752 -2.278 1.00 13.23 O ATOM 560 CB THR A 36 -9.139 10.532 -0.859 1.00 21.31 C ATOM 561 OG1 THR A 36 -8.606 11.761 -0.336 1.00 42.15 O ATOM 562 CG2 THR A 36 -8.014 9.516 -0.996 1.00 55.05 C ATOM 0 H THR A 36 -11.862 11.236 -1.818 1.00 21.11 H new ATOM 0 HA THR A 36 -9.154 11.270 -2.909 1.00 35.20 H new ATOM 0 HB THR A 36 -9.887 10.135 -0.172 1.00 21.31 H new ATOM 0 HG1 THR A 36 -8.167 11.588 0.523 1.00 42.15 H new ATOM 0 HG21 THR A 36 -7.542 9.363 -0.026 1.00 55.05 H new ATOM 0 HG22 THR A 36 -8.420 8.570 -1.355 1.00 55.05 H new ATOM 0 HG23 THR A 36 -7.274 9.886 -1.705 1.00 55.05 H new ATOM 570 N SER A 37 -9.623 9.031 -3.918 1.00 30.50 N ATOM 571 CA SER A 37 -9.882 7.715 -4.531 1.00 45.24 C ATOM 572 C SER A 37 -9.098 6.607 -3.808 1.00 30.44 C ATOM 573 O SER A 37 -8.332 6.881 -2.880 1.00 65.44 O ATOM 574 CB SER A 37 -9.501 7.723 -6.021 1.00 22.31 C ATOM 575 OG SER A 37 -8.092 7.784 -6.201 1.00 15.41 O ATOM 0 H SER A 37 -8.928 9.595 -4.408 1.00 30.50 H new ATOM 0 HA SER A 37 -10.949 7.513 -4.436 1.00 45.24 H new ATOM 0 HB2 SER A 37 -9.891 6.826 -6.502 1.00 22.31 H new ATOM 0 HB3 SER A 37 -9.968 8.577 -6.512 1.00 22.31 H new ATOM 0 HG SER A 37 -7.884 7.786 -7.159 1.00 15.41 H new ATOM 581 N MET A 38 -9.279 5.358 -4.242 1.00 12.23 N ATOM 582 CA MET A 38 -8.605 4.215 -3.608 1.00 32.02 C ATOM 583 C MET A 38 -7.078 4.394 -3.563 1.00 32.34 C ATOM 584 O MET A 38 -6.479 4.377 -2.492 1.00 11.31 O ATOM 585 CB MET A 38 -8.943 2.913 -4.343 1.00 51.13 C ATOM 586 CG MET A 38 -10.406 2.502 -4.240 1.00 63.32 C ATOM 587 SD MET A 38 -10.712 0.890 -4.995 1.00 4.21 S ATOM 588 CE MET A 38 -9.616 -0.153 -4.030 1.00 64.14 C ATOM 0 H MET A 38 -9.883 5.109 -5.026 1.00 12.23 H new ATOM 0 HA MET A 38 -8.970 4.164 -2.582 1.00 32.02 H new ATOM 0 HB2 MET A 38 -8.681 3.024 -5.395 1.00 51.13 H new ATOM 0 HB3 MET A 38 -8.322 2.111 -3.943 1.00 51.13 H new ATOM 0 HG2 MET A 38 -10.701 2.473 -3.191 1.00 63.32 H new ATOM 0 HG3 MET A 38 -11.029 3.254 -4.725 1.00 63.32 H new ATOM 0 HE1 MET A 38 -9.693 -1.183 -4.379 1.00 64.14 H new ATOM 0 HE2 MET A 38 -8.589 0.194 -4.145 1.00 64.14 H new ATOM 0 HE3 MET A 38 -9.900 -0.104 -2.979 1.00 64.14 H new ATOM 598 N SER A 39 -6.466 4.572 -4.733 1.00 41.21 N ATOM 599 CA SER A 39 -5.002 4.698 -4.852 1.00 13.24 C ATOM 600 C SER A 39 -4.432 5.759 -3.899 1.00 30.14 C ATOM 601 O SER A 39 -3.442 5.517 -3.207 1.00 20.43 O ATOM 602 CB SER A 39 -4.614 5.049 -6.296 1.00 12.23 C ATOM 603 OG SER A 39 -5.088 4.071 -7.212 1.00 14.14 O ATOM 0 H SER A 39 -6.961 4.633 -5.623 1.00 41.21 H new ATOM 0 HA SER A 39 -4.575 3.734 -4.576 1.00 13.24 H new ATOM 0 HB2 SER A 39 -5.024 6.024 -6.558 1.00 12.23 H new ATOM 0 HB3 SER A 39 -3.530 5.128 -6.374 1.00 12.23 H new ATOM 0 HG SER A 39 -4.445 3.333 -7.265 1.00 14.14 H new ATOM 609 N ALA A 40 -5.062 6.933 -3.864 1.00 63.34 N ATOM 610 CA ALA A 40 -4.601 8.032 -3.004 1.00 73.01 C ATOM 611 C ALA A 40 -4.790 7.707 -1.513 1.00 42.32 C ATOM 612 O ALA A 40 -3.961 8.073 -0.675 1.00 21.21 O ATOM 613 CB ALA A 40 -5.326 9.324 -3.368 1.00 30.30 C ATOM 0 H ALA A 40 -5.890 7.151 -4.418 1.00 63.34 H new ATOM 0 HA ALA A 40 -3.533 8.164 -3.175 1.00 73.01 H new ATOM 0 HB1 ALA A 40 -4.976 10.131 -2.724 1.00 30.30 H new ATOM 0 HB2 ALA A 40 -5.121 9.575 -4.409 1.00 30.30 H new ATOM 0 HB3 ALA A 40 -6.399 9.190 -3.231 1.00 30.30 H new ATOM 619 N TYR A 41 -5.878 7.014 -1.182 1.00 20.23 N ATOM 620 CA TYR A 41 -6.136 6.603 0.202 1.00 60.35 C ATOM 621 C TYR A 41 -5.116 5.550 0.663 1.00 20.21 C ATOM 622 O TYR A 41 -4.544 5.655 1.749 1.00 44.55 O ATOM 623 CB TYR A 41 -7.566 6.061 0.347 1.00 71.13 C ATOM 624 CG TYR A 41 -7.918 5.641 1.762 1.00 22.12 C ATOM 625 CD1 TYR A 41 -8.204 6.589 2.739 1.00 54.13 C ATOM 626 CD2 TYR A 41 -7.958 4.298 2.125 1.00 51.43 C ATOM 627 CE1 TYR A 41 -8.517 6.212 4.030 1.00 2.33 C ATOM 628 CE2 TYR A 41 -8.268 3.917 3.413 1.00 53.15 C ATOM 629 CZ TYR A 41 -8.549 4.874 4.362 1.00 24.14 C ATOM 630 OH TYR A 41 -8.853 4.489 5.648 1.00 44.13 O ATOM 0 H TYR A 41 -6.594 6.725 -1.848 1.00 20.23 H new ATOM 0 HA TYR A 41 -6.030 7.481 0.839 1.00 60.35 H new ATOM 0 HB2 TYR A 41 -8.270 6.826 0.019 1.00 71.13 H new ATOM 0 HB3 TYR A 41 -7.690 5.206 -0.318 1.00 71.13 H new ATOM 0 HD1 TYR A 41 -8.181 7.638 2.483 1.00 54.13 H new ATOM 0 HD2 TYR A 41 -7.742 3.541 1.385 1.00 51.43 H new ATOM 0 HE1 TYR A 41 -8.736 6.962 4.776 1.00 2.33 H new ATOM 0 HE2 TYR A 41 -8.290 2.870 3.677 1.00 53.15 H new ATOM 0 HH TYR A 41 -8.656 3.535 5.759 1.00 44.13 H new ATOM 640 N ILE A 42 -4.890 4.543 -0.176 1.00 74.32 N ATOM 641 CA ILE A 42 -3.899 3.502 0.113 1.00 64.25 C ATOM 642 C ILE A 42 -2.495 4.107 0.270 1.00 55.43 C ATOM 643 O ILE A 42 -1.694 3.641 1.083 1.00 21.00 O ATOM 644 CB ILE A 42 -3.870 2.415 -0.999 1.00 13.11 C ATOM 645 CG1 ILE A 42 -5.263 1.786 -1.184 1.00 4.33 C ATOM 646 CG2 ILE A 42 -2.835 1.334 -0.673 1.00 75.11 C ATOM 647 CD1 ILE A 42 -5.779 1.059 0.040 1.00 64.21 C ATOM 0 H ILE A 42 -5.378 4.423 -1.063 1.00 74.32 H new ATOM 0 HA ILE A 42 -4.196 3.033 1.051 1.00 64.25 H new ATOM 0 HB ILE A 42 -3.583 2.896 -1.934 1.00 13.11 H new ATOM 0 HG12 ILE A 42 -5.971 2.570 -1.454 1.00 4.33 H new ATOM 0 HG13 ILE A 42 -5.227 1.088 -2.020 1.00 4.33 H new ATOM 0 HG21 ILE A 42 -2.831 0.584 -1.464 1.00 75.11 H new ATOM 0 HG22 ILE A 42 -1.847 1.787 -0.598 1.00 75.11 H new ATOM 0 HG23 ILE A 42 -3.090 0.861 0.275 1.00 75.11 H new ATOM 0 HD11 ILE A 42 -6.765 0.645 -0.172 1.00 64.21 H new ATOM 0 HD12 ILE A 42 -5.094 0.252 0.299 1.00 64.21 H new ATOM 0 HD13 ILE A 42 -5.850 1.757 0.875 1.00 64.21 H new ATOM 659 N ARG A 43 -2.211 5.162 -0.498 1.00 61.44 N ATOM 660 CA ARG A 43 -0.910 5.833 -0.427 1.00 24.14 C ATOM 661 C ARG A 43 -0.637 6.377 0.982 1.00 53.33 C ATOM 662 O ARG A 43 0.480 6.275 1.484 1.00 23.35 O ATOM 663 CB ARG A 43 -0.806 6.965 -1.466 1.00 41.05 C ATOM 664 CG ARG A 43 0.612 7.517 -1.605 1.00 55.50 C ATOM 665 CD ARG A 43 0.753 8.502 -2.766 1.00 73.22 C ATOM 666 NE ARG A 43 0.165 9.811 -2.471 1.00 14.45 N ATOM 667 CZ ARG A 43 0.720 10.950 -2.800 1.00 63.30 C ATOM 668 NH1 ARG A 43 1.851 10.973 -3.442 1.00 23.01 N ATOM 669 NH2 ARG A 43 0.137 12.063 -2.486 1.00 1.41 N ATOM 0 H ARG A 43 -2.860 5.568 -1.172 1.00 61.44 H new ATOM 0 HA ARG A 43 -0.150 5.086 -0.658 1.00 24.14 H new ATOM 0 HB2 ARG A 43 -1.143 6.594 -2.434 1.00 41.05 H new ATOM 0 HB3 ARG A 43 -1.479 7.774 -1.183 1.00 41.05 H new ATOM 0 HG2 ARG A 43 0.897 8.013 -0.677 1.00 55.50 H new ATOM 0 HG3 ARG A 43 1.307 6.690 -1.750 1.00 55.50 H new ATOM 0 HD2 ARG A 43 1.809 8.628 -3.004 1.00 73.22 H new ATOM 0 HD3 ARG A 43 0.274 8.084 -3.652 1.00 73.22 H new ATOM 0 HE ARG A 43 -0.729 9.836 -1.981 1.00 14.45 H new ATOM 0 HH11 ARG A 43 2.313 10.099 -3.693 1.00 23.01 H new ATOM 0 HH12 ARG A 43 2.276 11.865 -3.694 1.00 23.01 H new ATOM 0 HH21 ARG A 43 -0.751 12.050 -1.984 1.00 1.41 H new ATOM 0 HH22 ARG A 43 0.566 12.953 -2.740 1.00 1.41 H new ATOM 683 N ARG A 44 -1.662 6.940 1.629 1.00 42.11 N ATOM 684 CA ARG A 44 -1.502 7.449 2.996 1.00 42.43 C ATOM 685 C ARG A 44 -1.323 6.284 3.987 1.00 73.52 C ATOM 686 O ARG A 44 -0.632 6.415 4.991 1.00 43.13 O ATOM 687 CB ARG A 44 -2.698 8.325 3.423 1.00 62.22 C ATOM 688 CG ARG A 44 -3.828 7.556 4.108 1.00 10.13 C ATOM 689 CD ARG A 44 -4.920 8.483 4.629 1.00 22.43 C ATOM 690 NE ARG A 44 -5.807 7.800 5.568 1.00 42.10 N ATOM 691 CZ ARG A 44 -6.772 8.385 6.226 1.00 41.40 C ATOM 692 NH1 ARG A 44 -7.031 9.645 6.049 1.00 21.23 N ATOM 693 NH2 ARG A 44 -7.478 7.706 7.069 1.00 0.23 N ATOM 0 H ARG A 44 -2.597 7.054 1.237 1.00 42.11 H new ATOM 0 HA ARG A 44 -0.608 8.072 3.009 1.00 42.43 H new ATOM 0 HB2 ARG A 44 -2.341 9.102 4.099 1.00 62.22 H new ATOM 0 HB3 ARG A 44 -3.098 8.828 2.542 1.00 62.22 H new ATOM 0 HG2 ARG A 44 -4.262 6.846 3.404 1.00 10.13 H new ATOM 0 HG3 ARG A 44 -3.421 6.975 4.936 1.00 10.13 H new ATOM 0 HD2 ARG A 44 -4.464 9.343 5.119 1.00 22.43 H new ATOM 0 HD3 ARG A 44 -5.503 8.866 3.791 1.00 22.43 H new ATOM 0 HE ARG A 44 -5.663 6.802 5.720 1.00 42.10 H new ATOM 0 HH11 ARG A 44 -6.478 10.192 5.389 1.00 21.23 H new ATOM 0 HH12 ARG A 44 -7.788 10.088 6.570 1.00 21.23 H new ATOM 0 HH21 ARG A 44 -7.281 6.717 7.219 1.00 0.23 H new ATOM 0 HH22 ARG A 44 -8.232 8.160 7.585 1.00 0.23 H new ATOM 707 N ILE A 45 -1.963 5.147 3.693 1.00 0.33 N ATOM 708 CA ILE A 45 -1.866 3.953 4.544 1.00 73.40 C ATOM 709 C ILE A 45 -0.423 3.434 4.614 1.00 34.11 C ATOM 710 O ILE A 45 0.146 3.284 5.697 1.00 34.41 O ATOM 711 CB ILE A 45 -2.784 2.811 4.032 1.00 51.32 C ATOM 712 CG1 ILE A 45 -4.254 3.262 4.016 1.00 35.13 C ATOM 713 CG2 ILE A 45 -2.617 1.554 4.890 1.00 21.35 C ATOM 714 CD1 ILE A 45 -5.207 2.217 3.472 1.00 3.23 C ATOM 0 H ILE A 45 -2.555 5.027 2.871 1.00 0.33 H new ATOM 0 HA ILE A 45 -2.192 4.254 5.540 1.00 73.40 H new ATOM 0 HB ILE A 45 -2.488 2.570 3.011 1.00 51.32 H new ATOM 0 HG12 ILE A 45 -4.556 3.523 5.030 1.00 35.13 H new ATOM 0 HG13 ILE A 45 -4.340 4.167 3.415 1.00 35.13 H new ATOM 0 HG21 ILE A 45 -3.270 0.767 4.513 1.00 21.35 H new ATOM 0 HG22 ILE A 45 -1.581 1.218 4.846 1.00 21.35 H new ATOM 0 HG23 ILE A 45 -2.881 1.781 5.923 1.00 21.35 H new ATOM 0 HD11 ILE A 45 -6.225 2.607 3.492 1.00 3.23 H new ATOM 0 HD12 ILE A 45 -4.932 1.973 2.446 1.00 3.23 H new ATOM 0 HD13 ILE A 45 -5.151 1.318 4.086 1.00 3.23 H new ATOM 726 N ILE A 46 0.164 3.153 3.452 1.00 14.32 N ATOM 727 CA ILE A 46 1.546 2.675 3.395 1.00 22.14 C ATOM 728 C ILE A 46 2.526 3.750 3.898 1.00 40.10 C ATOM 729 O ILE A 46 3.444 3.452 4.659 1.00 41.44 O ATOM 730 CB ILE A 46 1.951 2.221 1.967 1.00 30.31 C ATOM 731 CG1 ILE A 46 1.835 3.381 0.959 1.00 43.21 C ATOM 732 CG2 ILE A 46 1.091 1.037 1.526 1.00 63.43 C ATOM 733 CD1 ILE A 46 2.281 3.020 -0.443 1.00 70.25 C ATOM 0 H ILE A 46 -0.290 3.247 2.544 1.00 14.32 H new ATOM 0 HA ILE A 46 1.601 1.807 4.052 1.00 22.14 H new ATOM 0 HB ILE A 46 2.994 1.907 1.993 1.00 30.31 H new ATOM 0 HG12 ILE A 46 0.799 3.718 0.925 1.00 43.21 H new ATOM 0 HG13 ILE A 46 2.432 4.221 1.315 1.00 43.21 H new ATOM 0 HG21 ILE A 46 1.385 0.728 0.523 1.00 63.43 H new ATOM 0 HG22 ILE A 46 1.233 0.207 2.218 1.00 63.43 H new ATOM 0 HG23 ILE A 46 0.041 1.331 1.522 1.00 63.43 H new ATOM 0 HD11 ILE A 46 2.170 3.887 -1.095 1.00 70.25 H new ATOM 0 HD12 ILE A 46 3.326 2.712 -0.424 1.00 70.25 H new ATOM 0 HD13 ILE A 46 1.668 2.202 -0.820 1.00 70.25 H new ATOM 745 N LEU A 47 2.306 5.001 3.491 1.00 21.31 N ATOM 746 CA LEU A 47 3.137 6.125 3.941 1.00 43.22 C ATOM 747 C LEU A 47 3.149 6.231 5.475 1.00 22.43 C ATOM 748 O LEU A 47 4.192 6.086 6.112 1.00 61.01 O ATOM 749 CB LEU A 47 2.619 7.433 3.329 1.00 12.14 C ATOM 750 CG LEU A 47 3.375 8.706 3.739 1.00 30.24 C ATOM 751 CD1 LEU A 47 4.827 8.658 3.267 1.00 13.32 C ATOM 752 CD2 LEU A 47 2.663 9.944 3.200 1.00 71.22 C ATOM 0 H LEU A 47 1.558 5.264 2.849 1.00 21.31 H new ATOM 0 HA LEU A 47 4.159 5.947 3.607 1.00 43.22 H new ATOM 0 HB2 LEU A 47 2.656 7.344 2.243 1.00 12.14 H new ATOM 0 HB3 LEU A 47 1.571 7.551 3.603 1.00 12.14 H new ATOM 0 HG LEU A 47 3.384 8.763 4.827 1.00 30.24 H new ATOM 0 HD11 LEU A 47 5.339 9.571 3.571 1.00 13.32 H new ATOM 0 HD12 LEU A 47 5.326 7.797 3.712 1.00 13.32 H new ATOM 0 HD13 LEU A 47 4.854 8.571 2.181 1.00 13.32 H new ATOM 0 HD21 LEU A 47 3.211 10.838 3.499 1.00 71.22 H new ATOM 0 HD22 LEU A 47 2.618 9.893 2.112 1.00 71.22 H new ATOM 0 HD23 LEU A 47 1.651 9.987 3.604 1.00 71.22 H new ATOM 764 N ASN A 48 1.970 6.440 6.062 1.00 22.11 N ATOM 765 CA ASN A 48 1.830 6.575 7.519 1.00 20.44 C ATOM 766 C ASN A 48 2.239 5.295 8.270 1.00 44.14 C ATOM 767 O ASN A 48 2.255 5.271 9.498 1.00 20.32 O ATOM 768 CB ASN A 48 0.387 6.947 7.885 1.00 11.43 C ATOM 769 CG ASN A 48 -0.016 8.315 7.360 1.00 10.42 C ATOM 770 OD1 ASN A 48 0.802 9.220 7.244 1.00 71.42 O ATOM 771 ND2 ASN A 48 -1.283 8.484 7.055 1.00 63.35 N ATOM 0 H ASN A 48 1.091 6.520 5.550 1.00 22.11 H new ATOM 0 HA ASN A 48 2.507 7.371 7.829 1.00 20.44 H new ATOM 0 HB2 ASN A 48 -0.291 6.194 7.484 1.00 11.43 H new ATOM 0 HB3 ASN A 48 0.276 6.931 8.969 1.00 11.43 H new ATOM 0 HD21 ASN A 48 -1.609 9.387 6.711 1.00 63.35 H new ATOM 0 HD22 ASN A 48 -1.941 7.712 7.162 1.00 63.35 H new ATOM 778 N HIS A 49 2.548 4.233 7.531 1.00 54.10 N ATOM 779 CA HIS A 49 3.047 2.990 8.126 1.00 65.31 C ATOM 780 C HIS A 49 4.577 2.879 7.957 1.00 54.54 C ATOM 781 O HIS A 49 5.272 2.362 8.831 1.00 71.01 O ATOM 782 CB HIS A 49 2.345 1.782 7.483 1.00 23.11 C ATOM 783 CG HIS A 49 2.573 0.491 8.207 1.00 20.13 C ATOM 784 ND1 HIS A 49 1.730 0.021 9.190 1.00 44.32 N ATOM 785 CD2 HIS A 49 3.548 -0.438 8.082 1.00 41.15 C ATOM 786 CE1 HIS A 49 2.176 -1.134 9.638 1.00 61.32 C ATOM 787 NE2 HIS A 49 3.279 -1.438 8.984 1.00 75.54 N ATOM 0 H HIS A 49 2.462 4.206 6.515 1.00 54.10 H new ATOM 0 HA HIS A 49 2.825 3.001 9.193 1.00 65.31 H new ATOM 0 HB2 HIS A 49 1.274 1.978 7.439 1.00 23.11 H new ATOM 0 HB3 HIS A 49 2.693 1.677 6.455 1.00 23.11 H new ATOM 0 HD2 HIS A 49 4.384 -0.400 7.399 1.00 41.15 H new ATOM 0 HE1 HIS A 49 1.716 -1.731 10.411 1.00 61.32 H new ATOM 0 HE2 HIS A 49 3.841 -2.278 9.125 1.00 75.54 H new ATOM 796 N LEU A 50 5.093 3.380 6.831 1.00 42.00 N ATOM 797 CA LEU A 50 6.537 3.347 6.542 1.00 34.23 C ATOM 798 C LEU A 50 7.298 4.442 7.308 1.00 72.53 C ATOM 799 O LEU A 50 8.307 4.158 7.962 1.00 40.24 O ATOM 800 CB LEU A 50 6.794 3.470 5.026 1.00 15.30 C ATOM 801 CG LEU A 50 6.888 2.137 4.251 1.00 42.23 C ATOM 802 CD1 LEU A 50 8.095 1.323 4.715 1.00 20.23 C ATOM 803 CD2 LEU A 50 5.603 1.318 4.393 1.00 11.11 C ATOM 0 H LEU A 50 4.532 3.816 6.099 1.00 42.00 H new ATOM 0 HA LEU A 50 6.914 2.383 6.884 1.00 34.23 H new ATOM 0 HB2 LEU A 50 5.995 4.068 4.588 1.00 15.30 H new ATOM 0 HB3 LEU A 50 7.722 4.021 4.877 1.00 15.30 H new ATOM 0 HG LEU A 50 7.018 2.378 3.196 1.00 42.23 H new ATOM 0 HD11 LEU A 50 8.141 0.389 4.155 1.00 20.23 H new ATOM 0 HD12 LEU A 50 9.007 1.894 4.543 1.00 20.23 H new ATOM 0 HD13 LEU A 50 7.999 1.105 5.779 1.00 20.23 H new ATOM 0 HD21 LEU A 50 5.702 0.386 3.836 1.00 11.11 H new ATOM 0 HD22 LEU A 50 5.428 1.095 5.445 1.00 11.11 H new ATOM 0 HD23 LEU A 50 4.762 1.889 3.999 1.00 11.11 H new ATOM 815 N GLU A 51 6.827 5.689 7.225 1.00 31.32 N ATOM 816 CA GLU A 51 7.448 6.785 7.980 1.00 44.14 C ATOM 817 C GLU A 51 7.221 6.606 9.491 1.00 33.03 C ATOM 818 O GLU A 51 7.984 7.122 10.309 1.00 25.11 O ATOM 819 CB GLU A 51 6.931 8.160 7.518 1.00 71.43 C ATOM 820 CG GLU A 51 5.445 8.413 7.777 1.00 61.04 C ATOM 821 CD GLU A 51 5.073 9.882 7.617 1.00 1.22 C ATOM 822 OE1 GLU A 51 5.254 10.646 8.590 1.00 73.30 O ATOM 823 OE2 GLU A 51 4.612 10.286 6.529 1.00 2.03 O ATOM 0 H GLU A 51 6.029 5.965 6.652 1.00 31.32 H new ATOM 0 HA GLU A 51 8.519 6.749 7.781 1.00 44.14 H new ATOM 0 HB2 GLU A 51 7.509 8.936 8.020 1.00 71.43 H new ATOM 0 HB3 GLU A 51 7.121 8.262 6.449 1.00 71.43 H new ATOM 0 HG2 GLU A 51 4.851 7.813 7.088 1.00 61.04 H new ATOM 0 HG3 GLU A 51 5.193 8.084 8.785 1.00 61.04 H new ATOM 830 N ASP A 52 6.161 5.874 9.848 1.00 14.40 N ATOM 831 CA ASP A 52 5.916 5.487 11.244 1.00 10.24 C ATOM 832 C ASP A 52 7.059 4.589 11.742 1.00 22.02 C ATOM 833 O ASP A 52 7.805 4.952 12.652 1.00 3.30 O ATOM 834 CB ASP A 52 4.572 4.753 11.351 1.00 75.42 C ATOM 835 CG ASP A 52 4.140 4.490 12.785 1.00 4.41 C ATOM 836 OD1 ASP A 52 4.540 3.453 13.361 1.00 33.14 O ATOM 837 OD2 ASP A 52 3.379 5.310 13.337 1.00 34.45 O ATOM 0 H ASP A 52 5.458 5.537 9.191 1.00 14.40 H new ATOM 0 HA ASP A 52 5.877 6.381 11.866 1.00 10.24 H new ATOM 0 HB2 ASP A 52 3.804 5.342 10.850 1.00 75.42 H new ATOM 0 HB3 ASP A 52 4.642 3.803 10.820 1.00 75.42 H new ATOM 842 N GLU A 53 7.182 3.410 11.131 1.00 74.45 N ATOM 843 CA GLU A 53 8.325 2.524 11.374 1.00 42.33 C ATOM 844 C GLU A 53 9.576 3.132 10.733 1.00 31.12 C ATOM 845 O GLU A 53 10.555 2.429 10.443 1.00 62.32 O ATOM 846 CB GLU A 53 8.045 1.125 10.800 1.00 43.34 C ATOM 847 CG GLU A 53 6.749 0.502 11.314 1.00 1.55 C ATOM 848 CD GLU A 53 6.471 -0.870 10.715 1.00 53.41 C ATOM 849 OE1 GLU A 53 6.120 -0.947 9.523 1.00 72.02 O ATOM 850 OE2 GLU A 53 6.610 -1.883 11.428 1.00 31.00 O ATOM 0 H GLU A 53 6.504 3.044 10.463 1.00 74.45 H new ATOM 0 HA GLU A 53 8.487 2.421 12.447 1.00 42.33 H new ATOM 0 HB2 GLU A 53 8.001 1.190 9.713 1.00 43.34 H new ATOM 0 HB3 GLU A 53 8.878 0.467 11.047 1.00 43.34 H new ATOM 0 HG2 GLU A 53 6.799 0.415 12.399 1.00 1.55 H new ATOM 0 HG3 GLU A 53 5.917 1.168 11.086 1.00 1.55 H new TER 857 GLU A 53 ATOM 858 N MET B 201 -21.788 -19.931 3.297 1.00 33.22 N ATOM 859 CA MET B 201 -20.930 -19.512 2.188 1.00 30.11 C ATOM 860 C MET B 201 -21.775 -18.992 1.011 1.00 43.21 C ATOM 861 O MET B 201 -22.093 -19.734 0.079 1.00 33.43 O ATOM 862 CB MET B 201 -20.017 -20.664 1.732 1.00 63.12 C ATOM 863 CG MET B 201 -18.985 -21.086 2.770 1.00 35.03 C ATOM 864 SD MET B 201 -17.811 -22.297 2.125 1.00 13.30 S ATOM 865 CE MET B 201 -16.718 -22.505 3.534 1.00 15.33 C ATOM 0 HA MET B 201 -20.297 -18.698 2.542 1.00 30.11 H new ATOM 0 HB2 MET B 201 -20.635 -21.525 1.479 1.00 63.12 H new ATOM 0 HB3 MET B 201 -19.499 -20.364 0.821 1.00 63.12 H new ATOM 0 HG2 MET B 201 -18.442 -20.207 3.116 1.00 35.03 H new ATOM 0 HG3 MET B 201 -19.496 -21.506 3.636 1.00 35.03 H new ATOM 0 HE1 MET B 201 -15.939 -23.226 3.287 1.00 15.33 H new ATOM 0 HE2 MET B 201 -16.261 -21.548 3.784 1.00 15.33 H new ATOM 0 HE3 MET B 201 -17.290 -22.868 4.388 1.00 15.33 H new ATOM 875 N VAL B 202 -22.163 -17.715 1.080 1.00 12.15 N ATOM 876 CA VAL B 202 -22.995 -17.089 0.040 1.00 11.53 C ATOM 877 C VAL B 202 -22.254 -15.937 -0.664 1.00 62.21 C ATOM 878 O VAL B 202 -22.866 -15.102 -1.338 1.00 44.23 O ATOM 879 CB VAL B 202 -24.328 -16.560 0.638 1.00 61.53 C ATOM 880 CG1 VAL B 202 -25.149 -17.706 1.233 1.00 74.53 C ATOM 881 CG2 VAL B 202 -24.062 -15.483 1.691 1.00 71.11 C ATOM 0 H VAL B 202 -21.915 -17.090 1.847 1.00 12.15 H new ATOM 0 HA VAL B 202 -23.214 -17.860 -0.698 1.00 11.53 H new ATOM 0 HB VAL B 202 -24.906 -16.111 -0.170 1.00 61.53 H new ATOM 0 HG11 VAL B 202 -26.078 -17.312 1.646 1.00 74.53 H new ATOM 0 HG12 VAL B 202 -25.378 -18.433 0.453 1.00 74.53 H new ATOM 0 HG13 VAL B 202 -24.577 -18.191 2.024 1.00 74.53 H new ATOM 0 HG21 VAL B 202 -25.010 -15.128 2.096 1.00 71.11 H new ATOM 0 HG22 VAL B 202 -23.458 -15.902 2.496 1.00 71.11 H new ATOM 0 HG23 VAL B 202 -23.528 -14.650 1.233 1.00 71.11 H new ATOM 891 N GLY B 203 -20.933 -15.905 -0.506 1.00 50.12 N ATOM 892 CA GLY B 203 -20.124 -14.863 -1.134 1.00 42.15 C ATOM 893 C GLY B 203 -18.705 -14.791 -0.579 1.00 15.33 C ATOM 894 O GLY B 203 -18.142 -13.705 -0.435 1.00 64.53 O ATOM 0 H GLY B 203 -20.404 -16.581 0.045 1.00 50.12 H new ATOM 0 HA2 GLY B 203 -20.079 -15.044 -2.208 1.00 42.15 H new ATOM 0 HA3 GLY B 203 -20.612 -13.898 -0.994 1.00 42.15 H new ATOM 898 N ARG B 204 -18.125 -15.949 -0.270 1.00 21.42 N ATOM 899 CA ARG B 204 -16.766 -16.024 0.280 1.00 42.44 C ATOM 900 C ARG B 204 -15.847 -16.910 -0.576 1.00 62.35 C ATOM 901 O ARG B 204 -16.309 -17.794 -1.301 1.00 24.21 O ATOM 902 CB ARG B 204 -16.797 -16.569 1.716 1.00 55.21 C ATOM 903 CG ARG B 204 -17.231 -15.552 2.767 1.00 32.24 C ATOM 904 CD ARG B 204 -17.153 -16.133 4.179 1.00 54.02 C ATOM 905 NE ARG B 204 -17.262 -15.101 5.204 1.00 44.41 N ATOM 906 CZ ARG B 204 -17.252 -15.337 6.488 1.00 62.34 C ATOM 907 NH1 ARG B 204 -17.223 -16.550 6.942 1.00 61.11 N ATOM 908 NH2 ARG B 204 -17.285 -14.353 7.322 1.00 62.34 N ATOM 0 H ARG B 204 -18.576 -16.856 -0.391 1.00 21.42 H new ATOM 0 HA ARG B 204 -16.365 -15.010 0.276 1.00 42.44 H new ATOM 0 HB2 ARG B 204 -17.474 -17.423 1.753 1.00 55.21 H new ATOM 0 HB3 ARG B 204 -15.804 -16.938 1.973 1.00 55.21 H new ATOM 0 HG2 ARG B 204 -16.597 -14.667 2.702 1.00 32.24 H new ATOM 0 HG3 ARG B 204 -18.252 -15.229 2.562 1.00 32.24 H new ATOM 0 HD2 ARG B 204 -17.951 -16.863 4.314 1.00 54.02 H new ATOM 0 HD3 ARG B 204 -16.209 -16.665 4.300 1.00 54.02 H new ATOM 0 HE ARG B 204 -17.352 -14.132 4.898 1.00 44.41 H new ATOM 0 HH11 ARG B 204 -17.208 -17.337 6.293 1.00 61.11 H new ATOM 0 HH12 ARG B 204 -17.216 -16.718 7.948 1.00 61.11 H new ATOM 0 HH21 ARG B 204 -17.319 -13.393 6.978 1.00 62.34 H new ATOM 0 HH22 ARG B 204 -17.277 -14.535 8.326 1.00 62.34 H new ATOM 922 N ARG B 205 -14.543 -16.662 -0.459 1.00 31.53 N ATOM 923 CA ARG B 205 -13.507 -17.452 -1.133 1.00 54.04 C ATOM 924 C ARG B 205 -13.549 -17.349 -2.666 1.00 72.13 C ATOM 925 O ARG B 205 -14.165 -18.175 -3.345 1.00 74.31 O ATOM 926 CB ARG B 205 -13.560 -18.927 -0.694 1.00 54.40 C ATOM 927 CG ARG B 205 -12.778 -19.217 0.583 1.00 44.11 C ATOM 928 CD ARG B 205 -11.292 -18.918 0.402 1.00 22.03 C ATOM 929 NE ARG B 205 -10.507 -19.290 1.574 1.00 32.53 N ATOM 930 CZ ARG B 205 -9.278 -18.903 1.785 1.00 73.41 C ATOM 931 NH1 ARG B 205 -8.663 -18.151 0.924 1.00 62.51 N ATOM 932 NH2 ARG B 205 -8.657 -19.288 2.853 1.00 3.11 N ATOM 0 H ARG B 205 -14.170 -15.902 0.110 1.00 31.53 H new ATOM 0 HA ARG B 205 -12.558 -17.017 -0.821 1.00 54.04 H new ATOM 0 HB2 ARG B 205 -14.601 -19.215 -0.545 1.00 54.40 H new ATOM 0 HB3 ARG B 205 -13.169 -19.550 -1.498 1.00 54.40 H new ATOM 0 HG2 ARG B 205 -13.176 -18.615 1.400 1.00 44.11 H new ATOM 0 HG3 ARG B 205 -12.910 -20.262 0.863 1.00 44.11 H new ATOM 0 HD2 ARG B 205 -10.918 -19.457 -0.469 1.00 22.03 H new ATOM 0 HD3 ARG B 205 -11.159 -17.855 0.201 1.00 22.03 H new ATOM 0 HE ARG B 205 -10.946 -19.890 2.272 1.00 32.53 H new ATOM 0 HH11 ARG B 205 -9.140 -17.856 0.072 1.00 62.51 H new ATOM 0 HH12 ARG B 205 -7.703 -17.855 1.100 1.00 62.51 H new ATOM 0 HH21 ARG B 205 -9.128 -19.892 3.527 1.00 3.11 H new ATOM 0 HH22 ARG B 205 -7.697 -18.988 3.021 1.00 3.11 H new ATOM 946 N PRO B 206 -12.906 -16.309 -3.224 1.00 61.54 N ATOM 947 CA PRO B 206 -12.605 -16.232 -4.654 1.00 71.21 C ATOM 948 C PRO B 206 -11.259 -16.906 -4.967 1.00 43.43 C ATOM 949 O PRO B 206 -10.735 -17.646 -4.135 1.00 31.10 O ATOM 950 CB PRO B 206 -12.535 -14.724 -4.892 1.00 34.43 C ATOM 951 CG PRO B 206 -11.987 -14.173 -3.614 1.00 53.55 C ATOM 952 CD PRO B 206 -12.434 -15.106 -2.506 1.00 42.01 C ATOM 0 HA PRO B 206 -13.336 -16.738 -5.285 1.00 71.21 H new ATOM 0 HB2 PRO B 206 -11.890 -14.484 -5.737 1.00 34.43 H new ATOM 0 HB3 PRO B 206 -13.519 -14.310 -5.114 1.00 34.43 H new ATOM 0 HG2 PRO B 206 -10.899 -14.114 -3.654 1.00 53.55 H new ATOM 0 HG3 PRO B 206 -12.355 -13.162 -3.440 1.00 53.55 H new ATOM 0 HD2 PRO B 206 -11.614 -15.342 -1.827 1.00 42.01 H new ATOM 0 HD3 PRO B 206 -13.228 -14.662 -1.905 1.00 42.01 H new ATOM 960 N GLY B 207 -10.710 -16.671 -6.161 1.00 21.45 N ATOM 961 CA GLY B 207 -9.372 -17.172 -6.491 1.00 21.43 C ATOM 962 C GLY B 207 -9.198 -18.684 -6.310 1.00 75.20 C ATOM 963 O GLY B 207 -9.297 -19.453 -7.271 1.00 54.20 O ATOM 0 H GLY B 207 -11.163 -16.144 -6.907 1.00 21.45 H new ATOM 0 HA2 GLY B 207 -9.146 -16.914 -7.526 1.00 21.43 H new ATOM 0 HA3 GLY B 207 -8.641 -16.657 -5.867 1.00 21.43 H new ATOM 967 N GLY B 208 -8.905 -19.108 -5.082 1.00 75.01 N ATOM 968 CA GLY B 208 -8.745 -20.530 -4.790 1.00 71.43 C ATOM 969 C GLY B 208 -7.716 -20.828 -3.700 1.00 15.43 C ATOM 970 O GLY B 208 -7.081 -21.884 -3.719 1.00 12.14 O ATOM 0 H GLY B 208 -8.775 -18.492 -4.279 1.00 75.01 H new ATOM 0 HA2 GLY B 208 -9.709 -20.939 -4.487 1.00 71.43 H new ATOM 0 HA3 GLY B 208 -8.452 -21.047 -5.703 1.00 71.43 H new ATOM 974 N GLY B 209 -7.558 -19.909 -2.747 1.00 72.23 N ATOM 975 CA GLY B 209 -6.614 -20.107 -1.647 1.00 4.32 C ATOM 976 C GLY B 209 -5.269 -19.408 -1.853 1.00 74.32 C ATOM 977 O GLY B 209 -4.347 -19.586 -1.054 1.00 75.11 O ATOM 0 H GLY B 209 -8.068 -19.026 -2.714 1.00 72.23 H new ATOM 0 HA2 GLY B 209 -7.065 -19.742 -0.724 1.00 4.32 H new ATOM 0 HA3 GLY B 209 -6.441 -21.175 -1.517 1.00 4.32 H new ATOM 981 N LEU B 210 -5.159 -18.610 -2.917 1.00 11.14 N ATOM 982 CA LEU B 210 -3.916 -17.883 -3.240 1.00 51.42 C ATOM 983 C LEU B 210 -4.216 -16.566 -3.973 1.00 43.22 C ATOM 984 O LEU B 210 -3.952 -15.477 -3.459 1.00 1.02 O ATOM 985 CB LEU B 210 -2.979 -18.746 -4.110 1.00 51.45 C ATOM 986 CG LEU B 210 -2.213 -19.863 -3.378 1.00 75.45 C ATOM 987 CD1 LEU B 210 -1.386 -20.688 -4.364 1.00 74.20 C ATOM 988 CD2 LEU B 210 -1.320 -19.278 -2.283 1.00 2.22 C ATOM 0 H LEU B 210 -5.918 -18.446 -3.578 1.00 11.14 H new ATOM 0 HA LEU B 210 -3.422 -17.659 -2.295 1.00 51.42 H new ATOM 0 HB2 LEU B 210 -3.571 -19.200 -4.905 1.00 51.45 H new ATOM 0 HB3 LEU B 210 -2.253 -18.089 -4.588 1.00 51.45 H new ATOM 0 HG LEU B 210 -2.942 -20.523 -2.908 1.00 75.45 H new ATOM 0 HD11 LEU B 210 -0.853 -21.472 -3.825 1.00 74.20 H new ATOM 0 HD12 LEU B 210 -2.047 -21.141 -5.103 1.00 74.20 H new ATOM 0 HD13 LEU B 210 -0.668 -20.041 -4.867 1.00 74.20 H new ATOM 0 HD21 LEU B 210 -0.788 -20.084 -1.778 1.00 2.22 H new ATOM 0 HD22 LEU B 210 -0.600 -18.591 -2.729 1.00 2.22 H new ATOM 0 HD23 LEU B 210 -1.935 -18.741 -1.561 1.00 2.22 H new ATOM 1000 N LYS B 211 -4.779 -16.674 -5.178 1.00 1.12 N ATOM 1001 CA LYS B 211 -5.088 -15.500 -6.007 1.00 22.32 C ATOM 1002 C LYS B 211 -6.445 -14.874 -5.624 1.00 25.34 C ATOM 1003 O LYS B 211 -7.140 -14.291 -6.458 1.00 14.51 O ATOM 1004 CB LYS B 211 -5.077 -15.902 -7.494 1.00 4.10 C ATOM 1005 CG LYS B 211 -6.143 -16.929 -7.877 1.00 24.31 C ATOM 1006 CD LYS B 211 -6.037 -17.338 -9.345 1.00 31.05 C ATOM 1007 CE LYS B 211 -7.198 -18.231 -9.782 1.00 31.54 C ATOM 1008 NZ LYS B 211 -7.281 -19.481 -8.977 1.00 22.13 N ATOM 0 H LYS B 211 -5.032 -17.565 -5.606 1.00 1.12 H new ATOM 0 HA LYS B 211 -4.323 -14.744 -5.830 1.00 22.32 H new ATOM 0 HB2 LYS B 211 -5.217 -15.007 -8.101 1.00 4.10 H new ATOM 0 HB3 LYS B 211 -4.095 -16.305 -7.742 1.00 4.10 H new ATOM 0 HG2 LYS B 211 -6.040 -17.812 -7.246 1.00 24.31 H new ATOM 0 HG3 LYS B 211 -7.133 -16.514 -7.686 1.00 24.31 H new ATOM 0 HD2 LYS B 211 -6.014 -16.444 -9.968 1.00 31.05 H new ATOM 0 HD3 LYS B 211 -5.096 -17.864 -9.507 1.00 31.05 H new ATOM 0 HE2 LYS B 211 -8.133 -17.679 -9.690 1.00 31.54 H new ATOM 0 HE3 LYS B 211 -7.081 -18.486 -10.835 1.00 31.54 H new ATOM 0 HZ1 LYS B 211 -7.386 -20.297 -9.613 1.00 22.13 H new ATOM 0 HZ2 LYS B 211 -6.413 -19.590 -8.414 1.00 22.13 H new ATOM 0 HZ3 LYS B 211 -8.102 -19.430 -8.341 1.00 22.13 H new ATOM 1022 N ASP B 212 -6.788 -14.961 -4.342 1.00 74.44 N ATOM 1023 CA ASP B 212 -8.074 -14.474 -3.817 1.00 33.24 C ATOM 1024 C ASP B 212 -8.093 -12.938 -3.656 1.00 1.12 C ATOM 1025 O ASP B 212 -8.906 -12.394 -2.911 1.00 73.42 O ATOM 1026 CB ASP B 212 -8.344 -15.133 -2.451 1.00 32.31 C ATOM 1027 CG ASP B 212 -8.336 -16.658 -2.499 1.00 45.53 C ATOM 1028 OD1 ASP B 212 -7.624 -17.236 -3.351 1.00 34.15 O ATOM 1029 OD2 ASP B 212 -9.022 -17.287 -1.666 1.00 22.42 O ATOM 0 H ASP B 212 -6.184 -15.372 -3.630 1.00 74.44 H new ATOM 0 HA ASP B 212 -8.850 -14.741 -4.534 1.00 33.24 H new ATOM 0 HB2 ASP B 212 -7.591 -14.796 -1.739 1.00 32.31 H new ATOM 0 HB3 ASP B 212 -9.310 -14.794 -2.078 1.00 32.31 H new ATOM 1034 N THR B 213 -7.212 -12.241 -4.374 1.00 30.20 N ATOM 1035 CA THR B 213 -7.051 -10.785 -4.214 1.00 2.43 C ATOM 1036 C THR B 213 -7.072 -10.053 -5.563 1.00 3.11 C ATOM 1037 O THR B 213 -6.741 -10.627 -6.601 1.00 64.21 O ATOM 1038 CB THR B 213 -5.719 -10.443 -3.508 1.00 63.01 C ATOM 1039 OG1 THR B 213 -4.615 -10.850 -4.329 1.00 63.32 O ATOM 1040 CG2 THR B 213 -5.614 -11.119 -2.145 1.00 52.44 C ATOM 0 H THR B 213 -6.596 -12.656 -5.073 1.00 30.20 H new ATOM 0 HA THR B 213 -7.894 -10.454 -3.608 1.00 2.43 H new ATOM 0 HB THR B 213 -5.692 -9.364 -3.354 1.00 63.01 H new ATOM 0 HG1 THR B 213 -3.813 -10.947 -3.774 1.00 63.32 H new ATOM 0 HG21 THR B 213 -4.664 -10.855 -1.680 1.00 52.44 H new ATOM 0 HG22 THR B 213 -6.434 -10.786 -1.509 1.00 52.44 H new ATOM 0 HG23 THR B 213 -5.668 -12.200 -2.270 1.00 52.44 H new ATOM 1048 N LYS B 214 -7.452 -8.774 -5.539 1.00 21.12 N ATOM 1049 CA LYS B 214 -7.453 -7.934 -6.746 1.00 44.42 C ATOM 1050 C LYS B 214 -6.242 -6.974 -6.754 1.00 32.21 C ATOM 1051 O LYS B 214 -5.703 -6.640 -5.695 1.00 73.04 O ATOM 1052 CB LYS B 214 -8.767 -7.135 -6.832 1.00 0.12 C ATOM 1053 CG LYS B 214 -10.031 -7.995 -6.789 1.00 43.24 C ATOM 1054 CD LYS B 214 -10.071 -9.029 -7.917 1.00 35.14 C ATOM 1055 CE LYS B 214 -10.092 -8.380 -9.297 1.00 74.33 C ATOM 1056 NZ LYS B 214 -11.311 -7.555 -9.516 1.00 71.12 N ATOM 0 H LYS B 214 -7.765 -8.293 -4.696 1.00 21.12 H new ATOM 0 HA LYS B 214 -7.374 -8.585 -7.616 1.00 44.42 H new ATOM 0 HB2 LYS B 214 -8.799 -6.421 -6.009 1.00 0.12 H new ATOM 0 HB3 LYS B 214 -8.767 -6.556 -7.756 1.00 0.12 H new ATOM 0 HG2 LYS B 214 -10.087 -8.507 -5.828 1.00 43.24 H new ATOM 0 HG3 LYS B 214 -10.908 -7.351 -6.858 1.00 43.24 H new ATOM 0 HD2 LYS B 214 -9.202 -9.683 -7.839 1.00 35.14 H new ATOM 0 HD3 LYS B 214 -10.954 -9.657 -7.800 1.00 35.14 H new ATOM 0 HE2 LYS B 214 -9.207 -7.755 -9.415 1.00 74.33 H new ATOM 0 HE3 LYS B 214 -10.039 -9.155 -10.061 1.00 74.33 H new ATOM 0 HZ1 LYS B 214 -11.356 -7.260 -10.512 1.00 71.12 H new ATOM 0 HZ2 LYS B 214 -12.156 -8.115 -9.282 1.00 71.12 H new ATOM 0 HZ3 LYS B 214 -11.274 -6.713 -8.907 1.00 71.12 H new ATOM 1070 N PRO B 215 -5.791 -6.521 -7.947 1.00 52.14 N ATOM 1071 CA PRO B 215 -4.625 -5.626 -8.067 1.00 73.33 C ATOM 1072 C PRO B 215 -4.941 -4.150 -7.746 1.00 13.24 C ATOM 1073 O PRO B 215 -5.703 -3.488 -8.456 1.00 33.31 O ATOM 1074 CB PRO B 215 -4.226 -5.788 -9.537 1.00 31.25 C ATOM 1075 CG PRO B 215 -5.511 -6.070 -10.243 1.00 12.50 C ATOM 1076 CD PRO B 215 -6.361 -6.854 -9.273 1.00 4.34 C ATOM 0 HA PRO B 215 -3.843 -5.886 -7.354 1.00 73.33 H new ATOM 0 HB2 PRO B 215 -3.751 -4.885 -9.921 1.00 31.25 H new ATOM 0 HB3 PRO B 215 -3.514 -6.603 -9.668 1.00 31.25 H new ATOM 0 HG2 PRO B 215 -6.006 -5.144 -10.534 1.00 12.50 H new ATOM 0 HG3 PRO B 215 -5.337 -6.639 -11.156 1.00 12.50 H new ATOM 0 HD2 PRO B 215 -7.410 -6.567 -9.340 1.00 4.34 H new ATOM 0 HD3 PRO B 215 -6.310 -7.924 -9.472 1.00 4.34 H new ATOM 1084 N VAL B 216 -4.349 -3.646 -6.669 1.00 61.41 N ATOM 1085 CA VAL B 216 -4.483 -2.235 -6.280 1.00 61.23 C ATOM 1086 C VAL B 216 -3.168 -1.474 -6.526 1.00 15.42 C ATOM 1087 O VAL B 216 -2.154 -1.742 -5.879 1.00 3.22 O ATOM 1088 CB VAL B 216 -4.879 -2.102 -4.785 1.00 71.50 C ATOM 1089 CG1 VAL B 216 -5.051 -0.635 -4.391 1.00 51.20 C ATOM 1090 CG2 VAL B 216 -6.149 -2.900 -4.490 1.00 53.21 C ATOM 0 H VAL B 216 -3.764 -4.196 -6.040 1.00 61.41 H new ATOM 0 HA VAL B 216 -5.271 -1.801 -6.895 1.00 61.23 H new ATOM 0 HB VAL B 216 -4.070 -2.516 -4.183 1.00 71.50 H new ATOM 0 HG11 VAL B 216 -5.328 -0.571 -3.339 1.00 51.20 H new ATOM 0 HG12 VAL B 216 -4.114 -0.103 -4.552 1.00 51.20 H new ATOM 0 HG13 VAL B 216 -5.834 -0.184 -5.001 1.00 51.20 H new ATOM 0 HG21 VAL B 216 -6.409 -2.793 -3.437 1.00 53.21 H new ATOM 0 HG22 VAL B 216 -6.966 -2.524 -5.106 1.00 53.21 H new ATOM 0 HG23 VAL B 216 -5.978 -3.952 -4.717 1.00 53.21 H new ATOM 1100 N VAL B 217 -3.184 -0.533 -7.467 1.00 21.42 N ATOM 1101 CA VAL B 217 -1.987 0.254 -7.789 1.00 13.03 C ATOM 1102 C VAL B 217 -1.850 1.472 -6.859 1.00 30.43 C ATOM 1103 O VAL B 217 -2.736 2.330 -6.799 1.00 3.44 O ATOM 1104 CB VAL B 217 -2.003 0.734 -9.263 1.00 71.33 C ATOM 1105 CG1 VAL B 217 -0.731 1.519 -9.594 1.00 54.33 C ATOM 1106 CG2 VAL B 217 -2.171 -0.453 -10.211 1.00 24.02 C ATOM 0 H VAL B 217 -4.007 -0.294 -8.020 1.00 21.42 H new ATOM 0 HA VAL B 217 -1.130 -0.404 -7.641 1.00 13.03 H new ATOM 0 HB VAL B 217 -2.854 1.402 -9.396 1.00 71.33 H new ATOM 0 HG11 VAL B 217 -0.765 1.845 -10.633 1.00 54.33 H new ATOM 0 HG12 VAL B 217 -0.661 2.390 -8.942 1.00 54.33 H new ATOM 0 HG13 VAL B 217 0.140 0.881 -9.442 1.00 54.33 H new ATOM 0 HG21 VAL B 217 -2.180 -0.097 -11.241 1.00 24.02 H new ATOM 0 HG22 VAL B 217 -1.342 -1.148 -10.074 1.00 24.02 H new ATOM 0 HG23 VAL B 217 -3.110 -0.961 -9.994 1.00 24.02 H new ATOM 1116 N VAL B 218 -0.731 1.539 -6.144 1.00 30.22 N ATOM 1117 CA VAL B 218 -0.466 2.626 -5.198 1.00 71.41 C ATOM 1118 C VAL B 218 0.903 3.276 -5.487 1.00 4.34 C ATOM 1119 O VAL B 218 1.638 2.817 -6.357 1.00 74.32 O ATOM 1120 CB VAL B 218 -0.513 2.089 -3.742 1.00 14.50 C ATOM 1121 CG1 VAL B 218 0.659 1.148 -3.460 1.00 71.21 C ATOM 1122 CG2 VAL B 218 -0.560 3.229 -2.729 1.00 14.24 C ATOM 0 H VAL B 218 0.016 0.847 -6.201 1.00 30.22 H new ATOM 0 HA VAL B 218 -1.238 3.387 -5.318 1.00 71.41 H new ATOM 0 HB VAL B 218 -1.433 1.515 -3.634 1.00 14.50 H new ATOM 0 HG11 VAL B 218 0.598 0.789 -2.433 1.00 71.21 H new ATOM 0 HG12 VAL B 218 0.618 0.300 -4.144 1.00 71.21 H new ATOM 0 HG13 VAL B 218 1.598 1.683 -3.602 1.00 71.21 H new ATOM 0 HG21 VAL B 218 -0.592 2.818 -1.720 1.00 14.24 H new ATOM 0 HG22 VAL B 218 0.328 3.851 -2.839 1.00 14.24 H new ATOM 0 HG23 VAL B 218 -1.450 3.834 -2.903 1.00 14.24 H new ATOM 1132 N ARG B 219 1.238 4.356 -4.783 1.00 24.42 N ATOM 1133 CA ARG B 219 2.527 5.034 -4.978 1.00 50.51 C ATOM 1134 C ARG B 219 3.291 5.204 -3.653 1.00 73.31 C ATOM 1135 O ARG B 219 2.689 5.425 -2.605 1.00 34.02 O ATOM 1136 CB ARG B 219 2.305 6.406 -5.625 1.00 45.10 C ATOM 1137 CG ARG B 219 1.682 6.356 -7.017 1.00 72.53 C ATOM 1138 CD ARG B 219 1.471 7.754 -7.590 1.00 32.20 C ATOM 1139 NE ARG B 219 0.878 7.716 -8.925 1.00 24.01 N ATOM 1140 CZ ARG B 219 0.215 8.703 -9.466 1.00 3.42 C ATOM 1141 NH1 ARG B 219 0.019 9.809 -8.818 1.00 53.10 N ATOM 1142 NH2 ARG B 219 -0.259 8.570 -10.661 1.00 55.12 N ATOM 0 H ARG B 219 0.641 4.782 -4.074 1.00 24.42 H new ATOM 0 HA ARG B 219 3.131 4.409 -5.635 1.00 50.51 H new ATOM 0 HB2 ARG B 219 1.663 7.001 -4.975 1.00 45.10 H new ATOM 0 HB3 ARG B 219 3.262 6.923 -5.688 1.00 45.10 H new ATOM 0 HG2 ARG B 219 2.326 5.783 -7.684 1.00 72.53 H new ATOM 0 HG3 ARG B 219 0.726 5.834 -6.970 1.00 72.53 H new ATOM 0 HD2 ARG B 219 0.825 8.325 -6.923 1.00 32.20 H new ATOM 0 HD3 ARG B 219 2.427 8.276 -7.633 1.00 32.20 H new ATOM 0 HE ARG B 219 0.989 6.862 -9.471 1.00 24.01 H new ATOM 0 HH11 ARG B 219 0.385 9.917 -7.872 1.00 53.10 H new ATOM 0 HH12 ARG B 219 -0.501 10.570 -9.254 1.00 53.10 H new ATOM 0 HH21 ARG B 219 -0.114 7.700 -11.173 1.00 55.12 H new ATOM 0 HH22 ARG B 219 -0.778 9.335 -11.092 1.00 55.12 H new ATOM 1156 N LEU B 220 4.622 5.113 -3.712 1.00 24.05 N ATOM 1157 CA LEU B 220 5.478 5.299 -2.528 1.00 13.12 C ATOM 1158 C LEU B 220 6.768 6.055 -2.902 1.00 32.35 C ATOM 1159 O LEU B 220 7.210 6.012 -4.051 1.00 4.33 O ATOM 1160 CB LEU B 220 5.823 3.934 -1.907 1.00 21.52 C ATOM 1161 CG LEU B 220 6.605 3.982 -0.578 1.00 43.41 C ATOM 1162 CD1 LEU B 220 5.791 4.693 0.504 1.00 33.52 C ATOM 1163 CD2 LEU B 220 6.996 2.571 -0.128 1.00 20.51 C ATOM 0 H LEU B 220 5.136 4.911 -4.569 1.00 24.05 H new ATOM 0 HA LEU B 220 4.932 5.894 -1.796 1.00 13.12 H new ATOM 0 HB2 LEU B 220 4.895 3.386 -1.742 1.00 21.52 H new ATOM 0 HB3 LEU B 220 6.406 3.364 -2.630 1.00 21.52 H new ATOM 0 HG LEU B 220 7.520 4.551 -0.741 1.00 43.41 H new ATOM 0 HD11 LEU B 220 6.361 4.715 1.433 1.00 33.52 H new ATOM 0 HD12 LEU B 220 5.575 5.713 0.186 1.00 33.52 H new ATOM 0 HD13 LEU B 220 4.855 4.158 0.666 1.00 33.52 H new ATOM 0 HD21 LEU B 220 7.547 2.628 0.811 1.00 20.51 H new ATOM 0 HD22 LEU B 220 6.096 1.972 0.015 1.00 20.51 H new ATOM 0 HD23 LEU B 220 7.624 2.107 -0.889 1.00 20.51 H new ATOM 1175 N TYR B 221 7.363 6.758 -1.938 1.00 61.51 N ATOM 1176 CA TYR B 221 8.581 7.543 -2.192 1.00 22.03 C ATOM 1177 C TYR B 221 9.809 6.641 -2.436 1.00 41.13 C ATOM 1178 O TYR B 221 10.037 5.681 -1.699 1.00 65.33 O ATOM 1179 CB TYR B 221 8.851 8.501 -1.021 1.00 72.31 C ATOM 1180 CG TYR B 221 7.828 9.618 -0.899 1.00 40.20 C ATOM 1181 CD1 TYR B 221 6.672 9.462 -0.140 1.00 20.54 C ATOM 1182 CD2 TYR B 221 8.022 10.834 -1.547 1.00 13.13 C ATOM 1183 CE1 TYR B 221 5.745 10.481 -0.032 1.00 64.24 C ATOM 1184 CE2 TYR B 221 7.100 11.856 -1.442 1.00 15.23 C ATOM 1185 CZ TYR B 221 5.964 11.674 -0.684 1.00 42.21 C ATOM 1186 OH TYR B 221 5.043 12.691 -0.584 1.00 15.24 O ATOM 0 H TYR B 221 7.026 6.803 -0.976 1.00 61.51 H new ATOM 0 HA TYR B 221 8.413 8.122 -3.100 1.00 22.03 H new ATOM 0 HB2 TYR B 221 8.866 7.931 -0.092 1.00 72.31 H new ATOM 0 HB3 TYR B 221 9.842 8.939 -1.142 1.00 72.31 H new ATOM 0 HD1 TYR B 221 6.496 8.528 0.374 1.00 20.54 H new ATOM 0 HD2 TYR B 221 8.910 10.981 -2.143 1.00 13.13 H new ATOM 0 HE1 TYR B 221 4.853 10.342 0.561 1.00 64.24 H new ATOM 0 HE2 TYR B 221 7.268 12.793 -1.951 1.00 15.23 H new ATOM 0 HH TYR B 221 4.608 12.825 -1.452 1.00 15.24 H new ATOM 1196 N PRO B 222 10.631 6.959 -3.464 1.00 34.44 N ATOM 1197 CA PRO B 222 11.818 6.151 -3.831 1.00 24.23 C ATOM 1198 C PRO B 222 12.695 5.753 -2.627 1.00 53.53 C ATOM 1199 O PRO B 222 13.157 4.614 -2.528 1.00 43.34 O ATOM 1200 CB PRO B 222 12.585 7.086 -4.775 1.00 12.20 C ATOM 1201 CG PRO B 222 11.523 7.918 -5.416 1.00 72.01 C ATOM 1202 CD PRO B 222 10.467 8.128 -4.358 1.00 32.14 C ATOM 0 HA PRO B 222 11.533 5.196 -4.271 1.00 24.23 H new ATOM 0 HB2 PRO B 222 13.299 7.704 -4.230 1.00 12.20 H new ATOM 0 HB3 PRO B 222 13.152 6.524 -5.517 1.00 12.20 H new ATOM 0 HG2 PRO B 222 11.927 8.870 -5.759 1.00 72.01 H new ATOM 0 HG3 PRO B 222 11.107 7.415 -6.289 1.00 72.01 H new ATOM 0 HD2 PRO B 222 10.617 9.066 -3.823 1.00 32.14 H new ATOM 0 HD3 PRO B 222 9.467 8.164 -4.791 1.00 32.14 H new ATOM 1210 N ASP B 223 12.913 6.696 -1.709 1.00 11.20 N ATOM 1211 CA ASP B 223 13.707 6.437 -0.504 1.00 54.22 C ATOM 1212 C ASP B 223 13.095 5.290 0.321 1.00 64.21 C ATOM 1213 O ASP B 223 13.747 4.277 0.582 1.00 41.33 O ATOM 1214 CB ASP B 223 13.798 7.714 0.343 1.00 70.45 C ATOM 1215 CG ASP B 223 14.782 7.583 1.495 1.00 22.54 C ATOM 1216 OD1 ASP B 223 14.429 6.973 2.524 1.00 21.40 O ATOM 1217 OD2 ASP B 223 15.925 8.070 1.361 1.00 65.52 O ATOM 0 H ASP B 223 12.551 7.647 -1.776 1.00 11.20 H new ATOM 0 HA ASP B 223 14.710 6.136 -0.807 1.00 54.22 H new ATOM 0 HB2 ASP B 223 14.098 8.547 -0.293 1.00 70.45 H new ATOM 0 HB3 ASP B 223 12.811 7.954 0.739 1.00 70.45 H new ATOM 1222 N GLU B 224 11.829 5.452 0.697 1.00 52.44 N ATOM 1223 CA GLU B 224 11.114 4.449 1.493 1.00 34.14 C ATOM 1224 C GLU B 224 11.011 3.106 0.756 1.00 64.44 C ATOM 1225 O GLU B 224 10.986 2.052 1.382 1.00 60.34 O ATOM 1226 CB GLU B 224 9.716 4.963 1.850 1.00 14.20 C ATOM 1227 CG GLU B 224 9.734 6.266 2.641 1.00 71.15 C ATOM 1228 CD GLU B 224 8.343 6.831 2.871 1.00 42.14 C ATOM 1229 OE1 GLU B 224 7.713 7.268 1.884 1.00 43.23 O ATOM 1230 OE2 GLU B 224 7.885 6.861 4.035 1.00 42.32 O ATOM 0 H GLU B 224 11.271 6.273 0.463 1.00 52.44 H new ATOM 0 HA GLU B 224 11.684 4.281 2.407 1.00 34.14 H new ATOM 0 HB2 GLU B 224 9.146 5.111 0.933 1.00 14.20 H new ATOM 0 HB3 GLU B 224 9.194 4.202 2.430 1.00 14.20 H new ATOM 0 HG2 GLU B 224 10.216 6.095 3.604 1.00 71.15 H new ATOM 0 HG3 GLU B 224 10.337 7.001 2.108 1.00 71.15 H new ATOM 1237 N ILE B 225 10.955 3.152 -0.575 1.00 23.04 N ATOM 1238 CA ILE B 225 10.947 1.930 -1.393 1.00 23.24 C ATOM 1239 C ILE B 225 12.220 1.097 -1.159 1.00 22.00 C ATOM 1240 O ILE B 225 12.156 -0.128 -0.994 1.00 54.24 O ATOM 1241 CB ILE B 225 10.810 2.265 -2.902 1.00 72.31 C ATOM 1242 CG1 ILE B 225 9.454 2.935 -3.181 1.00 43.20 C ATOM 1243 CG2 ILE B 225 10.982 1.011 -3.763 1.00 64.10 C ATOM 1244 CD1 ILE B 225 9.251 3.328 -4.627 1.00 3.12 C ATOM 0 H ILE B 225 10.914 4.018 -1.113 1.00 23.04 H new ATOM 0 HA ILE B 225 10.082 1.342 -1.086 1.00 23.24 H new ATOM 0 HB ILE B 225 11.603 2.963 -3.168 1.00 72.31 H new ATOM 0 HG12 ILE B 225 8.656 2.255 -2.884 1.00 43.20 H new ATOM 0 HG13 ILE B 225 9.364 3.824 -2.557 1.00 43.20 H new ATOM 0 HG21 ILE B 225 10.881 1.276 -4.816 1.00 64.10 H new ATOM 0 HG22 ILE B 225 11.969 0.583 -3.589 1.00 64.10 H new ATOM 0 HG23 ILE B 225 10.218 0.280 -3.498 1.00 64.10 H new ATOM 0 HD11 ILE B 225 8.272 3.794 -4.744 1.00 3.12 H new ATOM 0 HD12 ILE B 225 10.027 4.034 -4.925 1.00 3.12 H new ATOM 0 HD13 ILE B 225 9.307 2.440 -5.257 1.00 3.12 H new ATOM 1256 N GLU B 226 13.374 1.762 -1.138 1.00 3.11 N ATOM 1257 CA GLU B 226 14.646 1.085 -0.861 1.00 1.22 C ATOM 1258 C GLU B 226 14.715 0.641 0.609 1.00 42.21 C ATOM 1259 O GLU B 226 15.082 -0.499 0.912 1.00 64.30 O ATOM 1260 CB GLU B 226 15.832 2.000 -1.206 1.00 31.13 C ATOM 1261 CG GLU B 226 17.192 1.311 -1.091 1.00 14.31 C ATOM 1262 CD GLU B 226 18.342 2.180 -1.575 1.00 12.32 C ATOM 1263 OE1 GLU B 226 18.347 2.553 -2.770 1.00 30.13 O ATOM 1264 OE2 GLU B 226 19.255 2.480 -0.774 1.00 43.44 O ATOM 0 H GLU B 226 13.458 2.764 -1.308 1.00 3.11 H new ATOM 0 HA GLU B 226 14.704 0.196 -1.490 1.00 1.22 H new ATOM 0 HB2 GLU B 226 15.708 2.373 -2.223 1.00 31.13 H new ATOM 0 HB3 GLU B 226 15.816 2.866 -0.544 1.00 31.13 H new ATOM 0 HG2 GLU B 226 17.366 1.034 -0.051 1.00 14.31 H new ATOM 0 HG3 GLU B 226 17.175 0.387 -1.668 1.00 14.31 H new ATOM 1271 N ALA B 227 14.339 1.541 1.518 1.00 31.32 N ATOM 1272 CA ALA B 227 14.266 1.218 2.950 1.00 22.14 C ATOM 1273 C ALA B 227 13.320 0.034 3.210 1.00 34.44 C ATOM 1274 O ALA B 227 13.535 -0.767 4.127 1.00 60.41 O ATOM 1275 CB ALA B 227 13.811 2.442 3.739 1.00 65.44 C ATOM 0 H ALA B 227 14.079 2.501 1.292 1.00 31.32 H new ATOM 0 HA ALA B 227 15.263 0.927 3.282 1.00 22.14 H new ATOM 0 HB1 ALA B 227 13.760 2.193 4.799 1.00 65.44 H new ATOM 0 HB2 ALA B 227 14.522 3.255 3.591 1.00 65.44 H new ATOM 0 HB3 ALA B 227 12.826 2.753 3.391 1.00 65.44 H new ATOM 1281 N LEU B 228 12.278 -0.072 2.388 1.00 40.51 N ATOM 1282 CA LEU B 228 11.318 -1.174 2.469 1.00 45.13 C ATOM 1283 C LEU B 228 11.988 -2.519 2.141 1.00 3.01 C ATOM 1284 O LEU B 228 12.003 -3.429 2.969 1.00 14.14 O ATOM 1285 CB LEU B 228 10.140 -0.922 1.516 1.00 14.40 C ATOM 1286 CG LEU B 228 9.034 -1.994 1.517 1.00 1.23 C ATOM 1287 CD1 LEU B 228 8.395 -2.125 2.901 1.00 4.44 C ATOM 1288 CD2 LEU B 228 7.981 -1.671 0.456 1.00 61.00 C ATOM 0 H LEU B 228 12.075 0.601 1.649 1.00 40.51 H new ATOM 0 HA LEU B 228 10.945 -1.223 3.492 1.00 45.13 H new ATOM 0 HB2 LEU B 228 9.690 0.037 1.771 1.00 14.40 H new ATOM 0 HB3 LEU B 228 10.531 -0.831 0.502 1.00 14.40 H new ATOM 0 HG LEU B 228 9.488 -2.954 1.271 1.00 1.23 H new ATOM 0 HD11 LEU B 228 7.618 -2.889 2.872 1.00 4.44 H new ATOM 0 HD12 LEU B 228 9.156 -2.409 3.628 1.00 4.44 H new ATOM 0 HD13 LEU B 228 7.955 -1.171 3.191 1.00 4.44 H new ATOM 0 HD21 LEU B 228 7.206 -2.437 0.468 1.00 61.00 H new ATOM 0 HD22 LEU B 228 7.535 -0.700 0.670 1.00 61.00 H new ATOM 0 HD23 LEU B 228 8.451 -1.646 -0.527 1.00 61.00 H new ATOM 1300 N LYS B 229 12.561 -2.639 0.941 1.00 51.11 N ATOM 1301 CA LYS B 229 13.224 -3.889 0.537 1.00 23.21 C ATOM 1302 C LYS B 229 14.452 -4.184 1.414 1.00 74.15 C ATOM 1303 O LYS B 229 14.962 -5.304 1.432 1.00 4.03 O ATOM 1304 CB LYS B 229 13.611 -3.863 -0.950 1.00 65.34 C ATOM 1305 CG LYS B 229 14.554 -2.732 -1.350 1.00 13.11 C ATOM 1306 CD LYS B 229 14.959 -2.837 -2.821 1.00 74.44 C ATOM 1307 CE LYS B 229 13.744 -2.865 -3.743 1.00 21.04 C ATOM 1308 NZ LYS B 229 14.120 -3.082 -5.163 1.00 23.42 N ATOM 0 H LYS B 229 12.582 -1.900 0.239 1.00 51.11 H new ATOM 0 HA LYS B 229 12.506 -4.696 0.684 1.00 23.21 H new ATOM 0 HB2 LYS B 229 14.079 -4.814 -1.205 1.00 65.34 H new ATOM 0 HB3 LYS B 229 12.701 -3.786 -1.546 1.00 65.34 H new ATOM 0 HG2 LYS B 229 14.069 -1.772 -1.172 1.00 13.11 H new ATOM 0 HG3 LYS B 229 15.445 -2.760 -0.723 1.00 13.11 H new ATOM 0 HD2 LYS B 229 15.595 -1.992 -3.084 1.00 74.44 H new ATOM 0 HD3 LYS B 229 15.550 -3.740 -2.972 1.00 74.44 H new ATOM 0 HE2 LYS B 229 13.066 -3.657 -3.424 1.00 21.04 H new ATOM 0 HE3 LYS B 229 13.200 -1.925 -3.653 1.00 21.04 H new ATOM 0 HZ1 LYS B 229 13.262 -3.094 -5.751 1.00 23.42 H new ATOM 0 HZ2 LYS B 229 14.746 -2.313 -5.478 1.00 23.42 H new ATOM 0 HZ3 LYS B 229 14.616 -3.992 -5.256 1.00 23.42 H new ATOM 1322 N SER B 230 14.919 -3.174 2.144 1.00 41.13 N ATOM 1323 CA SER B 230 16.005 -3.353 3.115 1.00 34.24 C ATOM 1324 C SER B 230 15.521 -4.080 4.383 1.00 44.30 C ATOM 1325 O SER B 230 16.301 -4.759 5.056 1.00 10.23 O ATOM 1326 CB SER B 230 16.611 -1.992 3.498 1.00 62.43 C ATOM 1327 OG SER B 230 17.672 -2.132 4.435 1.00 51.10 O ATOM 0 H SER B 230 14.564 -2.220 2.084 1.00 41.13 H new ATOM 0 HA SER B 230 16.768 -3.970 2.640 1.00 34.24 H new ATOM 0 HB2 SER B 230 16.981 -1.493 2.602 1.00 62.43 H new ATOM 0 HB3 SER B 230 15.835 -1.354 3.920 1.00 62.43 H new ATOM 0 HG SER B 230 18.034 -1.248 4.654 1.00 51.10 H new ATOM 1333 N ARG B 231 14.227 -3.949 4.702 1.00 70.14 N ATOM 1334 CA ARG B 231 13.661 -4.569 5.913 1.00 71.40 C ATOM 1335 C ARG B 231 12.850 -5.844 5.608 1.00 53.11 C ATOM 1336 O ARG B 231 12.696 -6.706 6.478 1.00 25.11 O ATOM 1337 CB ARG B 231 12.789 -3.558 6.680 1.00 33.40 C ATOM 1338 CG ARG B 231 11.542 -3.097 5.929 1.00 51.25 C ATOM 1339 CD ARG B 231 10.733 -2.078 6.729 1.00 54.32 C ATOM 1340 NE ARG B 231 10.256 -2.618 8.003 1.00 21.42 N ATOM 1341 CZ ARG B 231 9.136 -2.264 8.582 1.00 11.13 C ATOM 1342 NH1 ARG B 231 8.349 -1.400 8.021 1.00 54.10 N ATOM 1343 NH2 ARG B 231 8.806 -2.778 9.725 1.00 10.51 N ATOM 0 H ARG B 231 13.554 -3.423 4.144 1.00 70.14 H new ATOM 0 HA ARG B 231 14.505 -4.867 6.535 1.00 71.40 H new ATOM 0 HB2 ARG B 231 12.483 -4.006 7.626 1.00 33.40 H new ATOM 0 HB3 ARG B 231 13.395 -2.685 6.922 1.00 33.40 H new ATOM 0 HG2 ARG B 231 11.835 -2.658 4.975 1.00 51.25 H new ATOM 0 HG3 ARG B 231 10.915 -3.960 5.703 1.00 51.25 H new ATOM 0 HD2 ARG B 231 11.348 -1.198 6.918 1.00 54.32 H new ATOM 0 HD3 ARG B 231 9.880 -1.749 6.135 1.00 54.32 H new ATOM 0 HE ARG B 231 10.834 -3.316 8.471 1.00 21.42 H new ATOM 0 HH11 ARG B 231 8.600 -0.990 7.121 1.00 54.10 H new ATOM 0 HH12 ARG B 231 7.479 -1.130 8.479 1.00 54.10 H new ATOM 0 HH21 ARG B 231 9.419 -3.459 10.174 1.00 10.51 H new ATOM 0 HH22 ARG B 231 7.934 -2.502 10.176 1.00 10.51 H new ATOM 1357 N VAL B 232 12.332 -5.970 4.383 1.00 73.30 N ATOM 1358 CA VAL B 232 11.520 -7.143 4.009 1.00 30.43 C ATOM 1359 C VAL B 232 12.377 -8.421 3.908 1.00 12.52 C ATOM 1360 O VAL B 232 13.590 -8.353 3.696 1.00 54.01 O ATOM 1361 CB VAL B 232 10.773 -6.933 2.664 1.00 1.01 C ATOM 1362 CG1 VAL B 232 9.918 -5.669 2.700 1.00 50.55 C ATOM 1363 CG2 VAL B 232 11.749 -6.912 1.486 1.00 62.15 C ATOM 0 H VAL B 232 12.455 -5.285 3.637 1.00 73.30 H new ATOM 0 HA VAL B 232 10.786 -7.263 4.806 1.00 30.43 H new ATOM 0 HB VAL B 232 10.103 -7.780 2.520 1.00 1.01 H new ATOM 0 HG11 VAL B 232 9.407 -5.548 1.745 1.00 50.55 H new ATOM 0 HG12 VAL B 232 9.180 -5.751 3.498 1.00 50.55 H new ATOM 0 HG13 VAL B 232 10.555 -4.804 2.883 1.00 50.55 H new ATOM 0 HG21 VAL B 232 11.196 -6.763 0.558 1.00 62.15 H new ATOM 0 HG22 VAL B 232 12.462 -6.098 1.618 1.00 62.15 H new ATOM 0 HG23 VAL B 232 12.285 -7.860 1.441 1.00 62.15 H new ATOM 1373 N PRO B 233 11.766 -9.608 4.087 1.00 51.21 N ATOM 1374 CA PRO B 233 12.463 -10.891 3.922 1.00 74.32 C ATOM 1375 C PRO B 233 12.653 -11.269 2.441 1.00 22.33 C ATOM 1376 O PRO B 233 11.715 -11.192 1.649 1.00 22.51 O ATOM 1377 CB PRO B 233 11.535 -11.907 4.626 1.00 3.31 C ATOM 1378 CG PRO B 233 10.436 -11.099 5.250 1.00 64.42 C ATOM 1379 CD PRO B 233 10.367 -9.812 4.478 1.00 22.31 C ATOM 0 HA PRO B 233 13.470 -10.860 4.339 1.00 74.32 H new ATOM 0 HB2 PRO B 233 11.133 -12.628 3.914 1.00 3.31 H new ATOM 0 HB3 PRO B 233 12.079 -12.475 5.381 1.00 3.31 H new ATOM 0 HG2 PRO B 233 9.486 -11.632 5.202 1.00 64.42 H new ATOM 0 HG3 PRO B 233 10.643 -10.910 6.303 1.00 64.42 H new ATOM 0 HD2 PRO B 233 9.710 -9.892 3.612 1.00 22.31 H new ATOM 0 HD3 PRO B 233 9.991 -8.991 5.089 1.00 22.31 H new ATOM 1387 N ALA B 234 13.862 -11.702 2.080 1.00 41.12 N ATOM 1388 CA ALA B 234 14.174 -12.085 0.693 1.00 65.01 C ATOM 1389 C ALA B 234 13.306 -13.260 0.209 1.00 44.21 C ATOM 1390 O ALA B 234 13.199 -13.516 -0.993 1.00 43.14 O ATOM 1391 CB ALA B 234 15.654 -12.435 0.566 1.00 31.35 C ATOM 0 H ALA B 234 14.645 -11.798 2.726 1.00 41.12 H new ATOM 0 HA ALA B 234 13.948 -11.229 0.057 1.00 65.01 H new ATOM 0 HB1 ALA B 234 15.874 -12.717 -0.464 1.00 31.35 H new ATOM 0 HB2 ALA B 234 16.257 -11.570 0.842 1.00 31.35 H new ATOM 0 HB3 ALA B 234 15.889 -13.268 1.228 1.00 31.35 H new ATOM 1397 N ASN B 235 12.690 -13.972 1.153 1.00 43.13 N ATOM 1398 CA ASN B 235 11.821 -15.109 0.828 1.00 64.41 C ATOM 1399 C ASN B 235 10.459 -14.645 0.277 1.00 51.02 C ATOM 1400 O ASN B 235 9.725 -15.426 -0.335 1.00 23.24 O ATOM 1401 CB ASN B 235 11.605 -15.984 2.068 1.00 23.13 C ATOM 1402 CG ASN B 235 12.904 -16.305 2.786 1.00 72.32 C ATOM 1403 OD1 ASN B 235 13.618 -17.234 2.428 1.00 33.43 O ATOM 1404 ND2 ASN B 235 13.206 -15.559 3.830 1.00 34.44 N ATOM 0 H ASN B 235 12.776 -13.783 2.152 1.00 43.13 H new ATOM 0 HA ASN B 235 12.320 -15.691 0.053 1.00 64.41 H new ATOM 0 HB2 ASN B 235 10.930 -15.474 2.755 1.00 23.13 H new ATOM 0 HB3 ASN B 235 11.117 -16.913 1.773 1.00 23.13 H new ATOM 0 HD21 ASN B 235 14.054 -15.749 4.364 1.00 34.44 H new ATOM 0 HD22 ASN B 235 12.592 -14.792 4.104 1.00 34.44 H new ATOM 1411 N THR B 236 10.127 -13.371 0.499 1.00 20.34 N ATOM 1412 CA THR B 236 8.842 -12.802 0.056 1.00 41.13 C ATOM 1413 C THR B 236 9.039 -11.436 -0.626 1.00 52.35 C ATOM 1414 O THR B 236 9.708 -10.552 -0.087 1.00 14.15 O ATOM 1415 CB THR B 236 7.858 -12.643 1.246 1.00 72.34 C ATOM 1416 OG1 THR B 236 7.542 -13.930 1.801 1.00 43.12 O ATOM 1417 CG2 THR B 236 6.568 -11.946 0.821 1.00 1.44 C ATOM 0 H THR B 236 10.730 -12.707 0.985 1.00 20.34 H new ATOM 0 HA THR B 236 8.419 -13.500 -0.666 1.00 41.13 H new ATOM 0 HB THR B 236 8.350 -12.025 1.997 1.00 72.34 H new ATOM 0 HG1 THR B 236 6.922 -13.819 2.552 1.00 43.12 H new ATOM 0 HG21 THR B 236 5.904 -11.853 1.681 1.00 1.44 H new ATOM 0 HG22 THR B 236 6.801 -10.954 0.433 1.00 1.44 H new ATOM 0 HG23 THR B 236 6.076 -12.533 0.045 1.00 1.44 H new ATOM 1425 N SER B 237 8.449 -11.268 -1.812 1.00 14.00 N ATOM 1426 CA SER B 237 8.586 -10.020 -2.587 1.00 13.02 C ATOM 1427 C SER B 237 7.925 -8.821 -1.890 1.00 23.22 C ATOM 1428 O SER B 237 7.045 -8.979 -1.040 1.00 61.32 O ATOM 1429 CB SER B 237 7.986 -10.187 -3.989 1.00 3.20 C ATOM 1430 OG SER B 237 8.029 -8.968 -4.719 1.00 1.32 O ATOM 0 H SER B 237 7.870 -11.977 -2.262 1.00 14.00 H new ATOM 0 HA SER B 237 9.654 -9.816 -2.663 1.00 13.02 H new ATOM 0 HB2 SER B 237 8.534 -10.958 -4.532 1.00 3.20 H new ATOM 0 HB3 SER B 237 6.954 -10.528 -3.907 1.00 3.20 H new ATOM 0 HG SER B 237 7.642 -9.106 -5.609 1.00 1.32 H new ATOM 1436 N MET B 238 8.346 -7.618 -2.281 1.00 1.03 N ATOM 1437 CA MET B 238 7.843 -6.372 -1.686 1.00 21.14 C ATOM 1438 C MET B 238 6.308 -6.270 -1.755 1.00 33.13 C ATOM 1439 O MET B 238 5.654 -5.975 -0.755 1.00 30.14 O ATOM 1440 CB MET B 238 8.472 -5.167 -2.396 1.00 3.33 C ATOM 1441 CG MET B 238 9.993 -5.137 -2.328 1.00 54.14 C ATOM 1442 SD MET B 238 10.700 -3.789 -3.297 1.00 71.11 S ATOM 1443 CE MET B 238 10.027 -2.359 -2.454 1.00 11.12 C ATOM 0 H MET B 238 9.041 -7.476 -3.014 1.00 1.03 H new ATOM 0 HA MET B 238 8.125 -6.377 -0.633 1.00 21.14 H new ATOM 0 HB2 MET B 238 8.165 -5.173 -3.442 1.00 3.33 H new ATOM 0 HB3 MET B 238 8.080 -4.251 -1.953 1.00 3.33 H new ATOM 0 HG2 MET B 238 10.305 -5.036 -1.289 1.00 54.14 H new ATOM 0 HG3 MET B 238 10.389 -6.086 -2.689 1.00 54.14 H new ATOM 0 HE1 MET B 238 10.766 -1.557 -2.451 1.00 11.12 H new ATOM 0 HE2 MET B 238 9.128 -2.022 -2.970 1.00 11.12 H new ATOM 0 HE3 MET B 238 9.777 -2.626 -1.427 1.00 11.12 H new ATOM 1453 N SER B 239 5.742 -6.520 -2.936 1.00 70.11 N ATOM 1454 CA SER B 239 4.282 -6.442 -3.134 1.00 1.11 C ATOM 1455 C SER B 239 3.538 -7.437 -2.234 1.00 24.53 C ATOM 1456 O SER B 239 2.537 -7.097 -1.597 1.00 63.53 O ATOM 1457 CB SER B 239 3.923 -6.702 -4.606 1.00 24.21 C ATOM 1458 OG SER B 239 4.390 -7.974 -5.038 1.00 13.53 O ATOM 0 H SER B 239 6.265 -6.778 -3.773 1.00 70.11 H new ATOM 0 HA SER B 239 3.968 -5.435 -2.860 1.00 1.11 H new ATOM 0 HB2 SER B 239 2.842 -6.647 -4.733 1.00 24.21 H new ATOM 0 HB3 SER B 239 4.357 -5.922 -5.231 1.00 24.21 H new ATOM 0 HG SER B 239 4.145 -8.111 -5.977 1.00 13.53 H new ATOM 1464 N ALA B 240 4.038 -8.670 -2.185 1.00 33.31 N ATOM 1465 CA ALA B 240 3.463 -9.711 -1.328 1.00 35.31 C ATOM 1466 C ALA B 240 3.604 -9.361 0.163 1.00 60.22 C ATOM 1467 O ALA B 240 2.758 -9.726 0.982 1.00 2.32 O ATOM 1468 CB ALA B 240 4.116 -11.058 -1.626 1.00 42.14 C ATOM 0 H ALA B 240 4.844 -8.976 -2.730 1.00 33.31 H new ATOM 0 HA ALA B 240 2.398 -9.776 -1.549 1.00 35.31 H new ATOM 0 HB1 ALA B 240 3.681 -11.823 -0.983 1.00 42.14 H new ATOM 0 HB2 ALA B 240 3.947 -11.321 -2.670 1.00 42.14 H new ATOM 0 HB3 ALA B 240 5.188 -10.992 -1.438 1.00 42.14 H new ATOM 1474 N TYR B 241 4.681 -8.658 0.509 1.00 74.22 N ATOM 1475 CA TYR B 241 4.897 -8.194 1.883 1.00 31.44 C ATOM 1476 C TYR B 241 3.881 -7.108 2.268 1.00 32.23 C ATOM 1477 O TYR B 241 3.196 -7.219 3.285 1.00 52.30 O ATOM 1478 CB TYR B 241 6.327 -7.657 2.043 1.00 31.02 C ATOM 1479 CG TYR B 241 6.639 -7.136 3.436 1.00 63.14 C ATOM 1480 CD1 TYR B 241 7.042 -8.001 4.448 1.00 51.02 C ATOM 1481 CD2 TYR B 241 6.527 -5.781 3.740 1.00 2.35 C ATOM 1482 CE1 TYR B 241 7.325 -7.532 5.717 1.00 53.34 C ATOM 1483 CE2 TYR B 241 6.807 -5.308 5.005 1.00 4.35 C ATOM 1484 CZ TYR B 241 7.207 -6.184 5.989 1.00 14.11 C ATOM 1485 OH TYR B 241 7.481 -5.712 7.252 1.00 14.52 O ATOM 0 H TYR B 241 5.420 -8.396 -0.143 1.00 74.22 H new ATOM 0 HA TYR B 241 4.757 -9.044 2.551 1.00 31.44 H new ATOM 0 HB2 TYR B 241 7.032 -8.451 1.797 1.00 31.02 H new ATOM 0 HB3 TYR B 241 6.486 -6.855 1.322 1.00 31.02 H new ATOM 0 HD1 TYR B 241 7.135 -9.056 4.239 1.00 51.02 H new ATOM 0 HD2 TYR B 241 6.215 -5.089 2.972 1.00 2.35 H new ATOM 0 HE1 TYR B 241 7.637 -8.217 6.492 1.00 53.34 H new ATOM 0 HE2 TYR B 241 6.713 -4.254 5.223 1.00 4.35 H new ATOM 0 HH TYR B 241 7.350 -4.741 7.274 1.00 14.52 H new ATOM 1495 N ILE B 242 3.781 -6.062 1.444 1.00 42.22 N ATOM 1496 CA ILE B 242 2.837 -4.959 1.693 1.00 14.53 C ATOM 1497 C ILE B 242 1.395 -5.471 1.831 1.00 23.44 C ATOM 1498 O ILE B 242 0.576 -4.878 2.538 1.00 11.35 O ATOM 1499 CB ILE B 242 2.906 -3.893 0.566 1.00 41.24 C ATOM 1500 CG1 ILE B 242 4.319 -3.291 0.484 1.00 30.01 C ATOM 1501 CG2 ILE B 242 1.862 -2.792 0.785 1.00 53.42 C ATOM 1502 CD1 ILE B 242 4.750 -2.562 1.742 1.00 34.33 C ATOM 0 H ILE B 242 4.340 -5.952 0.598 1.00 42.22 H new ATOM 0 HA ILE B 242 3.133 -4.496 2.634 1.00 14.53 H new ATOM 0 HB ILE B 242 2.682 -4.384 -0.381 1.00 41.24 H new ATOM 0 HG12 ILE B 242 5.032 -4.089 0.276 1.00 30.01 H new ATOM 0 HG13 ILE B 242 4.360 -2.599 -0.357 1.00 30.01 H new ATOM 0 HG21 ILE B 242 1.932 -2.059 -0.018 1.00 53.42 H new ATOM 0 HG22 ILE B 242 0.865 -3.232 0.789 1.00 53.42 H new ATOM 0 HG23 ILE B 242 2.046 -2.301 1.741 1.00 53.42 H new ATOM 0 HD11 ILE B 242 5.756 -2.166 1.606 1.00 34.33 H new ATOM 0 HD12 ILE B 242 4.061 -1.741 1.941 1.00 34.33 H new ATOM 0 HD13 ILE B 242 4.743 -3.254 2.584 1.00 34.33 H new ATOM 1514 N ARG B 243 1.099 -6.587 1.165 1.00 55.10 N ATOM 1515 CA ARG B 243 -0.221 -7.216 1.239 1.00 52.44 C ATOM 1516 C ARG B 243 -0.665 -7.449 2.697 1.00 5.15 C ATOM 1517 O ARG B 243 -1.840 -7.294 3.020 1.00 12.32 O ATOM 1518 CB ARG B 243 -0.226 -8.541 0.458 1.00 63.41 C ATOM 1519 CG ARG B 243 -1.577 -9.255 0.452 1.00 51.32 C ATOM 1520 CD ARG B 243 -1.575 -10.491 -0.447 1.00 45.42 C ATOM 1521 NE ARG B 243 -0.621 -11.510 -0.001 1.00 51.23 N ATOM 1522 CZ ARG B 243 -0.601 -12.742 -0.438 1.00 70.23 C ATOM 1523 NH1 ARG B 243 -1.428 -13.143 -1.354 1.00 10.41 N ATOM 1524 NH2 ARG B 243 0.265 -13.577 0.031 1.00 12.24 N ATOM 0 H ARG B 243 1.761 -7.078 0.564 1.00 55.10 H new ATOM 0 HA ARG B 243 -0.937 -6.532 0.784 1.00 52.44 H new ATOM 0 HB2 ARG B 243 0.074 -8.345 -0.571 1.00 63.41 H new ATOM 0 HB3 ARG B 243 0.523 -9.206 0.887 1.00 63.41 H new ATOM 0 HG2 ARG B 243 -1.835 -9.549 1.469 1.00 51.32 H new ATOM 0 HG3 ARG B 243 -2.349 -8.564 0.114 1.00 51.32 H new ATOM 0 HD2 ARG B 243 -2.576 -10.921 -0.470 1.00 45.42 H new ATOM 0 HD3 ARG B 243 -1.333 -10.193 -1.467 1.00 45.42 H new ATOM 0 HE ARG B 243 0.073 -11.240 0.696 1.00 51.23 H new ATOM 0 HH11 ARG B 243 -2.109 -12.493 -1.746 1.00 10.41 H new ATOM 0 HH12 ARG B 243 -1.397 -14.108 -1.682 1.00 10.41 H new ATOM 0 HH21 ARG B 243 0.932 -13.275 0.741 1.00 12.24 H new ATOM 0 HH22 ARG B 243 0.282 -14.539 -0.309 1.00 12.24 H new ATOM 1538 N ARG B 244 0.275 -7.804 3.581 1.00 10.44 N ATOM 1539 CA ARG B 244 -0.064 -8.024 4.995 1.00 10.41 C ATOM 1540 C ARG B 244 -0.318 -6.689 5.719 1.00 42.42 C ATOM 1541 O ARG B 244 -1.113 -6.620 6.656 1.00 65.33 O ATOM 1542 CB ARG B 244 1.035 -8.813 5.733 1.00 21.23 C ATOM 1543 CG ARG B 244 2.275 -7.992 6.096 1.00 11.44 C ATOM 1544 CD ARG B 244 3.140 -8.695 7.141 1.00 22.32 C ATOM 1545 NE ARG B 244 2.375 -9.018 8.346 1.00 11.40 N ATOM 1546 CZ ARG B 244 2.776 -8.797 9.570 1.00 12.11 C ATOM 1547 NH1 ARG B 244 3.905 -8.209 9.814 1.00 25.34 N ATOM 1548 NH2 ARG B 244 2.021 -9.142 10.559 1.00 42.52 N ATOM 0 H ARG B 244 1.259 -7.943 3.350 1.00 10.44 H new ATOM 0 HA ARG B 244 -0.979 -8.617 5.010 1.00 10.41 H new ATOM 0 HB2 ARG B 244 0.612 -9.231 6.646 1.00 21.23 H new ATOM 0 HB3 ARG B 244 1.341 -9.653 5.110 1.00 21.23 H new ATOM 0 HG2 ARG B 244 2.866 -7.811 5.198 1.00 11.44 H new ATOM 0 HG3 ARG B 244 1.967 -7.018 6.476 1.00 11.44 H new ATOM 0 HD2 ARG B 244 3.553 -9.610 6.716 1.00 22.32 H new ATOM 0 HD3 ARG B 244 3.983 -8.057 7.405 1.00 22.32 H new ATOM 0 HE ARG B 244 1.459 -9.449 8.221 1.00 11.40 H new ATOM 0 HH11 ARG B 244 4.501 -7.908 9.042 1.00 25.34 H new ATOM 0 HH12 ARG B 244 4.198 -8.047 10.778 1.00 25.34 H new ATOM 0 HH21 ARG B 244 1.119 -9.584 10.382 1.00 42.52 H new ATOM 0 HH22 ARG B 244 2.327 -8.973 11.517 1.00 42.52 H new ATOM 1562 N ILE B 245 0.362 -5.631 5.274 1.00 22.25 N ATOM 1563 CA ILE B 245 0.224 -4.304 5.886 1.00 35.02 C ATOM 1564 C ILE B 245 -1.171 -3.717 5.625 1.00 25.43 C ATOM 1565 O ILE B 245 -1.853 -3.270 6.551 1.00 62.11 O ATOM 1566 CB ILE B 245 1.308 -3.327 5.365 1.00 73.01 C ATOM 1567 CG1 ILE B 245 2.712 -3.836 5.748 1.00 53.33 C ATOM 1568 CG2 ILE B 245 1.075 -1.914 5.904 1.00 32.44 C ATOM 1569 CD1 ILE B 245 3.842 -2.933 5.298 1.00 0.10 C ATOM 0 H ILE B 245 1.015 -5.665 4.491 1.00 22.25 H new ATOM 0 HA ILE B 245 0.358 -4.430 6.960 1.00 35.02 H new ATOM 0 HB ILE B 245 1.240 -3.284 4.278 1.00 73.01 H new ATOM 0 HG12 ILE B 245 2.762 -3.951 6.831 1.00 53.33 H new ATOM 0 HG13 ILE B 245 2.858 -4.826 5.316 1.00 53.33 H new ATOM 0 HG21 ILE B 245 1.849 -1.247 5.524 1.00 32.44 H new ATOM 0 HG22 ILE B 245 0.097 -1.557 5.579 1.00 32.44 H new ATOM 0 HG23 ILE B 245 1.112 -1.929 6.993 1.00 32.44 H new ATOM 0 HD11 ILE B 245 4.795 -3.362 5.606 1.00 0.10 H new ATOM 0 HD12 ILE B 245 3.821 -2.838 4.212 1.00 0.10 H new ATOM 0 HD13 ILE B 245 3.724 -1.949 5.751 1.00 0.10 H new ATOM 1581 N ILE B 246 -1.597 -3.722 4.363 1.00 22.32 N ATOM 1582 CA ILE B 246 -2.948 -3.272 4.018 1.00 73.12 C ATOM 1583 C ILE B 246 -4.006 -4.204 4.634 1.00 51.03 C ATOM 1584 O ILE B 246 -5.073 -3.755 5.055 1.00 61.00 O ATOM 1585 CB ILE B 246 -3.151 -3.168 2.483 1.00 34.13 C ATOM 1586 CG1 ILE B 246 -2.886 -4.520 1.801 1.00 50.43 C ATOM 1587 CG2 ILE B 246 -2.245 -2.085 1.899 1.00 31.32 C ATOM 1588 CD1 ILE B 246 -3.079 -4.501 0.298 1.00 42.45 C ATOM 0 H ILE B 246 -1.035 -4.029 3.569 1.00 22.32 H new ATOM 0 HA ILE B 246 -3.070 -2.273 4.435 1.00 73.12 H new ATOM 0 HB ILE B 246 -4.189 -2.893 2.294 1.00 34.13 H new ATOM 0 HG12 ILE B 246 -1.865 -4.833 2.022 1.00 50.43 H new ATOM 0 HG13 ILE B 246 -3.550 -5.269 2.233 1.00 50.43 H new ATOM 0 HG21 ILE B 246 -2.399 -2.024 0.822 1.00 31.32 H new ATOM 0 HG22 ILE B 246 -2.486 -1.125 2.355 1.00 31.32 H new ATOM 0 HG23 ILE B 246 -1.203 -2.333 2.103 1.00 31.32 H new ATOM 0 HD11 ILE B 246 -2.873 -5.491 -0.108 1.00 42.45 H new ATOM 0 HD12 ILE B 246 -4.107 -4.220 0.067 1.00 42.45 H new ATOM 0 HD13 ILE B 246 -2.396 -3.777 -0.147 1.00 42.45 H new ATOM 1600 N LEU B 247 -3.685 -5.499 4.705 1.00 31.32 N ATOM 1601 CA LEU B 247 -4.532 -6.483 5.395 1.00 30.12 C ATOM 1602 C LEU B 247 -4.786 -6.056 6.853 1.00 25.31 C ATOM 1603 O LEU B 247 -5.926 -6.058 7.329 1.00 22.21 O ATOM 1604 CB LEU B 247 -3.857 -7.866 5.356 1.00 51.52 C ATOM 1605 CG LEU B 247 -4.632 -9.021 6.016 1.00 33.31 C ATOM 1606 CD1 LEU B 247 -5.943 -9.283 5.284 1.00 71.21 C ATOM 1607 CD2 LEU B 247 -3.776 -10.285 6.053 1.00 13.12 C ATOM 0 H LEU B 247 -2.841 -5.894 4.291 1.00 31.32 H new ATOM 0 HA LEU B 247 -5.493 -6.537 4.884 1.00 30.12 H new ATOM 0 HB2 LEU B 247 -3.674 -8.128 4.314 1.00 51.52 H new ATOM 0 HB3 LEU B 247 -2.884 -7.786 5.840 1.00 51.52 H new ATOM 0 HG LEU B 247 -4.868 -8.732 7.040 1.00 33.31 H new ATOM 0 HD11 LEU B 247 -6.473 -10.103 5.769 1.00 71.21 H new ATOM 0 HD12 LEU B 247 -6.561 -8.385 5.312 1.00 71.21 H new ATOM 0 HD13 LEU B 247 -5.734 -9.548 4.248 1.00 71.21 H new ATOM 0 HD21 LEU B 247 -4.339 -11.092 6.523 1.00 13.12 H new ATOM 0 HD22 LEU B 247 -3.508 -10.573 5.036 1.00 13.12 H new ATOM 0 HD23 LEU B 247 -2.869 -10.094 6.626 1.00 13.12 H new ATOM 1619 N ASN B 248 -3.715 -5.671 7.552 1.00 13.22 N ATOM 1620 CA ASN B 248 -3.825 -5.186 8.932 1.00 63.52 C ATOM 1621 C ASN B 248 -4.701 -3.927 9.027 1.00 23.33 C ATOM 1622 O ASN B 248 -5.454 -3.765 9.985 1.00 63.10 O ATOM 1623 CB ASN B 248 -2.440 -4.916 9.536 1.00 72.03 C ATOM 1624 CG ASN B 248 -1.667 -6.192 9.835 1.00 42.43 C ATOM 1625 OD1 ASN B 248 -2.369 -7.266 10.142 1.00 61.13 O flip ATOM 1626 ND2 ASN B 248 -0.443 -6.216 9.800 1.00 73.42 N flip ATOM 0 H ASN B 248 -2.763 -5.685 7.186 1.00 13.22 H new ATOM 0 HA ASN B 248 -4.308 -5.975 9.508 1.00 63.52 H new ATOM 0 HB2 ASN B 248 -1.862 -4.300 8.847 1.00 72.03 H new ATOM 0 HB3 ASN B 248 -2.556 -4.343 10.456 1.00 72.03 H new ATOM 0 HD21 ASN B 248 0.077 -5.372 9.560 1.00 73.42 H new ATOM 0 HD22 ASN B 248 0.056 -7.080 10.011 1.00 73.42 H new ATOM 1633 N HIS B 249 -4.610 -3.043 8.033 1.00 43.02 N ATOM 1634 CA HIS B 249 -5.451 -1.841 8.006 1.00 51.23 C ATOM 1635 C HIS B 249 -6.944 -2.201 8.098 1.00 72.32 C ATOM 1636 O HIS B 249 -7.656 -1.693 8.950 1.00 32.10 O ATOM 1637 CB HIS B 249 -5.195 -1.014 6.734 1.00 32.32 C ATOM 1638 CG HIS B 249 -6.060 0.218 6.619 1.00 51.12 C ATOM 1639 ND1 HIS B 249 -5.615 1.483 6.929 1.00 61.22 N ATOM 1640 CD2 HIS B 249 -7.351 0.372 6.221 1.00 72.13 C ATOM 1641 CE1 HIS B 249 -6.583 2.355 6.731 1.00 42.05 C ATOM 1642 NE2 HIS B 249 -7.647 1.713 6.301 1.00 44.52 N ATOM 0 H HIS B 249 -3.971 -3.132 7.243 1.00 43.02 H new ATOM 0 HA HIS B 249 -5.183 -1.242 8.876 1.00 51.23 H new ATOM 0 HB2 HIS B 249 -4.147 -0.713 6.713 1.00 32.32 H new ATOM 0 HB3 HIS B 249 -5.363 -1.646 5.862 1.00 32.32 H new ATOM 0 HD1 HIS B 249 -4.678 1.711 7.262 1.00 61.22 H new ATOM 0 HD2 HIS B 249 -8.020 -0.413 5.901 1.00 72.13 H new ATOM 0 HE1 HIS B 249 -6.514 3.420 6.895 1.00 42.05 H new ATOM 1651 N LEU B 250 -7.406 -3.090 7.228 1.00 40.21 N ATOM 1652 CA LEU B 250 -8.837 -3.411 7.148 1.00 2.24 C ATOM 1653 C LEU B 250 -9.349 -4.179 8.383 1.00 3.30 C ATOM 1654 O LEU B 250 -10.505 -4.014 8.779 1.00 12.24 O ATOM 1655 CB LEU B 250 -9.144 -4.195 5.862 1.00 60.30 C ATOM 1656 CG LEU B 250 -9.190 -3.362 4.564 1.00 64.44 C ATOM 1657 CD1 LEU B 250 -10.244 -2.264 4.664 1.00 31.31 C ATOM 1658 CD2 LEU B 250 -7.822 -2.769 4.234 1.00 43.41 C ATOM 0 H LEU B 250 -6.820 -3.602 6.569 1.00 40.21 H new ATOM 0 HA LEU B 250 -9.370 -2.460 7.125 1.00 2.24 H new ATOM 0 HB2 LEU B 250 -8.391 -4.974 5.745 1.00 60.30 H new ATOM 0 HB3 LEU B 250 -10.104 -4.696 5.984 1.00 60.30 H new ATOM 0 HG LEU B 250 -9.467 -4.032 3.750 1.00 64.44 H new ATOM 0 HD11 LEU B 250 -10.259 -1.689 3.738 1.00 31.31 H new ATOM 0 HD12 LEU B 250 -11.223 -2.714 4.828 1.00 31.31 H new ATOM 0 HD13 LEU B 250 -10.004 -1.604 5.497 1.00 31.31 H new ATOM 0 HD21 LEU B 250 -7.889 -2.188 3.314 1.00 43.41 H new ATOM 0 HD22 LEU B 250 -7.500 -2.121 5.049 1.00 43.41 H new ATOM 0 HD23 LEU B 250 -7.099 -3.574 4.103 1.00 43.41 H new ATOM 1670 N GLU B 251 -8.501 -5.009 8.992 1.00 71.25 N ATOM 1671 CA GLU B 251 -8.902 -5.780 10.184 1.00 40.43 C ATOM 1672 C GLU B 251 -8.806 -4.941 11.474 1.00 41.54 C ATOM 1673 O GLU B 251 -9.580 -5.142 12.414 1.00 51.12 O ATOM 1674 CB GLU B 251 -8.048 -7.053 10.325 1.00 33.51 C ATOM 1675 CG GLU B 251 -6.554 -6.783 10.463 1.00 42.11 C ATOM 1676 CD GLU B 251 -5.725 -8.055 10.571 1.00 73.40 C ATOM 1677 OE1 GLU B 251 -5.437 -8.676 9.528 1.00 41.14 O ATOM 1678 OE2 GLU B 251 -5.348 -8.438 11.699 1.00 32.21 O ATOM 0 H GLU B 251 -7.540 -5.168 8.688 1.00 71.25 H new ATOM 0 HA GLU B 251 -9.945 -6.062 10.043 1.00 40.43 H new ATOM 0 HB2 GLU B 251 -8.388 -7.612 11.197 1.00 33.51 H new ATOM 0 HB3 GLU B 251 -8.214 -7.688 9.455 1.00 33.51 H new ATOM 0 HG2 GLU B 251 -6.214 -6.207 9.603 1.00 42.11 H new ATOM 0 HG3 GLU B 251 -6.382 -6.168 11.346 1.00 42.11 H new ATOM 1685 N ASP B 252 -7.858 -4.006 11.518 1.00 34.34 N ATOM 1686 CA ASP B 252 -7.632 -3.188 12.718 1.00 41.21 C ATOM 1687 C ASP B 252 -8.367 -1.834 12.638 1.00 62.35 C ATOM 1688 O ASP B 252 -9.045 -1.422 13.583 1.00 13.42 O ATOM 1689 CB ASP B 252 -6.127 -2.965 12.914 1.00 63.25 C ATOM 1690 CG ASP B 252 -5.807 -2.324 14.251 1.00 0.21 C ATOM 1691 OD1 ASP B 252 -5.760 -3.053 15.264 1.00 64.42 O ATOM 1692 OD2 ASP B 252 -5.613 -1.091 14.301 1.00 63.32 O ATOM 0 H ASP B 252 -7.233 -3.793 10.740 1.00 34.34 H new ATOM 0 HA ASP B 252 -8.038 -3.727 13.574 1.00 41.21 H new ATOM 0 HB2 ASP B 252 -5.608 -3.921 12.839 1.00 63.25 H new ATOM 0 HB3 ASP B 252 -5.748 -2.333 12.111 1.00 63.25 H new ATOM 1697 N GLU B 253 -8.223 -1.142 11.509 1.00 34.31 N ATOM 1698 CA GLU B 253 -8.858 0.173 11.306 1.00 2.50 C ATOM 1699 C GLU B 253 -9.806 0.185 10.076 1.00 74.24 C ATOM 1700 O GLU B 253 -9.389 0.584 8.962 1.00 38.74 O ATOM 1701 CB GLU B 253 -7.775 1.265 11.202 1.00 21.12 C ATOM 1702 CG GLU B 253 -6.636 0.945 10.236 1.00 63.31 C ATOM 1703 CD GLU B 253 -5.558 2.018 10.215 1.00 63.53 C ATOM 1704 OE1 GLU B 253 -5.799 3.101 9.637 1.00 10.22 O ATOM 1705 OE2 GLU B 253 -4.463 1.783 10.769 1.00 23.12 O ATOM 1706 OXT GLU B 253 -10.982 -0.215 10.237 1.00 38.74 O ATOM 0 H GLU B 253 -7.672 -1.466 10.714 1.00 34.31 H new ATOM 0 HA GLU B 253 -9.485 0.384 12.172 1.00 2.50 H new ATOM 0 HB2 GLU B 253 -8.247 2.197 10.890 1.00 21.12 H new ATOM 0 HB3 GLU B 253 -7.355 1.437 12.193 1.00 21.12 H new ATOM 0 HG2 GLU B 253 -6.187 -0.008 10.515 1.00 63.31 H new ATOM 0 HG3 GLU B 253 -7.041 0.825 9.231 1.00 63.31 H new TER 1713 GLU B 253