USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 939 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 28 TYR OH : rot -94:sc= -0.795! USER MOD Set 1.2: A 47 SER OG : rot -78:sc= 2.19 USER MOD Set 2.1: A 35 ASN : amide:sc= -5.25! C(o=-5.3!,f=-12!) USER MOD Set 2.2: A 89 LYS NZ :NH3+ 153:sc=-0.00985 (180deg=-0.219) USER MOD Single : A 21 MET CE :methyl -104:sc= 0 (180deg=-0.705) USER MOD Single : A 30 THR OG1 : rot -150:sc= 0.0913 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0402 USER MOD Single : A 32 ASN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 34 THR OG1 : rot 62:sc= 0.525 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0229 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 50:sc= 1.26 USER MOD Single : A 48 SER OG : rot -120:sc= -0.799 USER MOD Single : A 52 THR OG1 : rot 26:sc= 0.51 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 120:sc= -1.73 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.013) USER MOD Single : A 63 LYS NZ :NH3+ -137:sc= 0.114 (180deg=-2) USER MOD Single : A 65 ASN : amide:sc= 1.08 K(o=1.1,f=-0.0027) USER MOD Single : A 67 TYR OH : rot -130:sc= -1.63! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= 0.0791 (180deg=0.0677) USER MOD Single : A 72 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.048) USER MOD Single : A 75 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.142) USER MOD Single : A 81 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.0068) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -6.06! C(o=-6.1!,f=-5.8!) USER MOD Single : A 100 MET CE :methyl -153:sc= -1.27 (180deg=-2.14) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -136:sc= -1.48 (180deg=-5.04!) USER MOD Single : A 112 THR OG1 : rot -9:sc= -0.353 USER MOD Single : A 113 MET CE :methyl 150:sc= -3.78! (180deg=-4.25!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -0.9 X(o=-0.9,f=-0.74) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ -166:sc= -0.101 (180deg=-0.431) USER MOD Single : A 132 ASN : amide:sc= -2.27 K(o=-2.3,f=-3.6) USER MOD Single : A 134 THR OG1 : rot -63:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 127 N MET A 21 11.229 -12.690 2.500 1.00 72.54 N ATOM 128 CA MET A 21 12.233 -12.766 1.444 1.00 34.15 C ATOM 129 C MET A 21 12.599 -11.373 0.942 1.00 25.23 C ATOM 130 O MET A 21 13.744 -10.938 1.069 1.00 63.53 O ATOM 131 CB MET A 21 11.720 -13.621 0.284 1.00 50.23 C ATOM 132 CG MET A 21 12.133 -15.081 0.376 1.00 53.24 C ATOM 133 SD MET A 21 10.746 -16.210 0.145 1.00 23.42 S ATOM 134 CE MET A 21 10.203 -16.430 1.838 1.00 44.31 C ATOM 0 HA MET A 21 13.128 -13.230 1.859 1.00 34.15 H new ATOM 0 HB2 MET A 21 10.632 -13.561 0.253 1.00 50.23 H new ATOM 0 HB3 MET A 21 12.089 -13.206 -0.654 1.00 50.23 H new ATOM 0 HG2 MET A 21 12.894 -15.288 -0.377 1.00 53.24 H new ATOM 0 HG3 MET A 21 12.589 -15.265 1.349 1.00 53.24 H new ATOM 0 HE1 MET A 21 10.529 -17.405 2.201 1.00 44.31 H new ATOM 0 HE2 MET A 21 10.633 -15.647 2.463 1.00 44.31 H new ATOM 0 HE3 MET A 21 9.115 -16.372 1.882 1.00 44.31 H new ATOM 144 N VAL A 22 11.621 -10.678 0.372 1.00 53.31 N ATOM 145 CA VAL A 22 11.841 -9.334 -0.149 1.00 12.34 C ATOM 146 C VAL A 22 10.619 -8.450 0.076 1.00 74.51 C ATOM 147 O VAL A 22 9.500 -8.945 0.219 1.00 65.20 O ATOM 148 CB VAL A 22 12.171 -9.361 -1.653 1.00 23.43 C ATOM 149 CG1 VAL A 22 12.748 -8.026 -2.098 1.00 21.15 C ATOM 150 CG2 VAL A 22 13.133 -10.498 -1.966 1.00 1.35 C ATOM 0 H VAL A 22 10.668 -11.023 0.259 1.00 53.31 H new ATOM 0 HA VAL A 22 12.691 -8.920 0.394 1.00 12.34 H new ATOM 0 HB VAL A 22 11.248 -9.533 -2.207 1.00 23.43 H new ATOM 0 HG11 VAL A 22 12.975 -8.065 -3.163 1.00 21.15 H new ATOM 0 HG12 VAL A 22 12.022 -7.235 -1.910 1.00 21.15 H new ATOM 0 HG13 VAL A 22 13.661 -7.820 -1.540 1.00 21.15 H new ATOM 0 HG21 VAL A 22 13.356 -10.503 -3.033 1.00 1.35 H new ATOM 0 HG22 VAL A 22 14.056 -10.359 -1.403 1.00 1.35 H new ATOM 0 HG23 VAL A 22 12.677 -11.448 -1.686 1.00 1.35 H new ATOM 160 N ARG A 23 10.840 -7.140 0.105 1.00 75.30 N ATOM 161 CA ARG A 23 9.756 -6.187 0.313 1.00 70.23 C ATOM 162 C ARG A 23 10.134 -4.809 -0.223 1.00 31.23 C ATOM 163 O ARG A 23 11.298 -4.411 -0.172 1.00 54.45 O ATOM 164 CB ARG A 23 9.411 -6.091 1.800 1.00 72.31 C ATOM 165 CG ARG A 23 10.329 -5.165 2.580 1.00 64.01 C ATOM 166 CD ARG A 23 9.668 -3.823 2.851 1.00 52.12 C ATOM 167 NE ARG A 23 9.896 -3.366 4.219 1.00 20.52 N ATOM 168 CZ ARG A 23 9.359 -3.947 5.287 1.00 50.24 C ATOM 169 NH1 ARG A 23 8.567 -5.001 5.144 1.00 3.24 N ATOM 170 NH2 ARG A 23 9.614 -3.473 6.500 1.00 61.24 N ATOM 0 H ARG A 23 11.759 -6.714 -0.013 1.00 75.30 H new ATOM 0 HA ARG A 23 8.882 -6.543 -0.233 1.00 70.23 H new ATOM 0 HB2 ARG A 23 8.384 -5.742 1.904 1.00 72.31 H new ATOM 0 HB3 ARG A 23 9.455 -7.087 2.240 1.00 72.31 H new ATOM 0 HG2 ARG A 23 10.603 -5.634 3.525 1.00 64.01 H new ATOM 0 HG3 ARG A 23 11.252 -5.011 2.021 1.00 64.01 H new ATOM 0 HD2 ARG A 23 10.054 -3.081 2.152 1.00 52.12 H new ATOM 0 HD3 ARG A 23 8.596 -3.904 2.670 1.00 52.12 H new ATOM 0 HE ARG A 23 10.500 -2.557 4.363 1.00 20.52 H new ATOM 0 HH11 ARG A 23 8.369 -5.367 4.213 1.00 3.24 H new ATOM 0 HH12 ARG A 23 8.156 -5.445 5.965 1.00 3.24 H new ATOM 0 HH21 ARG A 23 10.222 -2.662 6.613 1.00 61.24 H new ATOM 0 HH22 ARG A 23 9.201 -3.919 7.319 1.00 61.24 H new ATOM 184 N ARG A 24 9.143 -4.087 -0.735 1.00 71.01 N ATOM 185 CA ARG A 24 9.372 -2.755 -1.281 1.00 54.24 C ATOM 186 C ARG A 24 9.658 -1.752 -0.167 1.00 62.33 C ATOM 187 O ARG A 24 8.774 -1.007 0.253 1.00 33.35 O ATOM 188 CB ARG A 24 8.158 -2.298 -2.093 1.00 62.13 C ATOM 189 CG ARG A 24 8.335 -2.458 -3.594 1.00 74.35 C ATOM 190 CD ARG A 24 7.340 -3.455 -4.169 1.00 52.30 C ATOM 191 NE ARG A 24 5.990 -2.901 -4.241 1.00 63.21 N ATOM 192 CZ ARG A 24 5.633 -1.945 -5.091 1.00 14.01 C ATOM 193 NH1 ARG A 24 6.520 -1.439 -5.937 1.00 33.24 N ATOM 194 NH2 ARG A 24 4.385 -1.493 -5.096 1.00 70.13 N ATOM 0 H ARG A 24 8.174 -4.402 -0.783 1.00 71.01 H new ATOM 0 HA ARG A 24 10.242 -2.803 -1.936 1.00 54.24 H new ATOM 0 HB2 ARG A 24 7.284 -2.867 -1.776 1.00 62.13 H new ATOM 0 HB3 ARG A 24 7.955 -1.251 -1.869 1.00 62.13 H new ATOM 0 HG2 ARG A 24 8.207 -1.492 -4.082 1.00 74.35 H new ATOM 0 HG3 ARG A 24 9.351 -2.791 -3.808 1.00 74.35 H new ATOM 0 HD2 ARG A 24 7.662 -3.755 -5.166 1.00 52.30 H new ATOM 0 HD3 ARG A 24 7.331 -4.354 -3.553 1.00 52.30 H new ATOM 0 HE ARG A 24 5.283 -3.268 -3.604 1.00 63.21 H new ATOM 0 HH11 ARG A 24 7.480 -1.784 -5.936 1.00 33.24 H new ATOM 0 HH12 ARG A 24 6.242 -0.705 -6.588 1.00 33.24 H new ATOM 0 HH21 ARG A 24 3.700 -1.880 -4.447 1.00 70.13 H new ATOM 0 HH22 ARG A 24 4.111 -0.759 -5.749 1.00 70.13 H new ATOM 208 N ALA A 25 10.900 -1.740 0.306 1.00 20.40 N ATOM 209 CA ALA A 25 11.304 -0.829 1.370 1.00 75.14 C ATOM 210 C ALA A 25 12.074 0.361 0.809 1.00 4.45 C ATOM 211 O ALA A 25 12.120 0.568 -0.403 1.00 51.43 O ATOM 212 CB ALA A 25 12.143 -1.564 2.404 1.00 33.13 C ATOM 0 H ALA A 25 11.644 -2.351 -0.031 1.00 20.40 H new ATOM 0 HA ALA A 25 10.403 -0.451 1.853 1.00 75.14 H new ATOM 0 HB1 ALA A 25 12.438 -0.871 3.192 1.00 33.13 H new ATOM 0 HB2 ALA A 25 11.559 -2.377 2.835 1.00 33.13 H new ATOM 0 HB3 ALA A 25 13.035 -1.971 1.927 1.00 33.13 H new ATOM 218 N ARG A 26 12.678 1.141 1.700 1.00 3.40 N ATOM 219 CA ARG A 26 13.446 2.313 1.294 1.00 73.30 C ATOM 220 C ARG A 26 14.859 1.918 0.875 1.00 11.31 C ATOM 221 O ARG A 26 15.219 0.741 0.897 1.00 73.21 O ATOM 222 CB ARG A 26 13.506 3.330 2.435 1.00 54.12 C ATOM 223 CG ARG A 26 13.437 4.775 1.967 1.00 64.43 C ATOM 224 CD ARG A 26 12.310 5.530 2.653 1.00 1.01 C ATOM 225 NE ARG A 26 11.080 5.512 1.865 1.00 4.54 N ATOM 226 CZ ARG A 26 10.889 6.262 0.785 1.00 32.44 C ATOM 227 NH1 ARG A 26 11.842 7.083 0.367 1.00 74.04 N ATOM 228 NH2 ARG A 26 9.742 6.190 0.121 1.00 21.35 N ATOM 0 H ARG A 26 12.651 0.983 2.707 1.00 3.40 H new ATOM 0 HA ARG A 26 12.945 2.766 0.439 1.00 73.30 H new ATOM 0 HB2 ARG A 26 12.682 3.140 3.123 1.00 54.12 H new ATOM 0 HB3 ARG A 26 14.430 3.182 2.994 1.00 54.12 H new ATOM 0 HG2 ARG A 26 14.386 5.271 2.172 1.00 64.43 H new ATOM 0 HG3 ARG A 26 13.290 4.802 0.887 1.00 64.43 H new ATOM 0 HD2 ARG A 26 12.120 5.088 3.631 1.00 1.01 H new ATOM 0 HD3 ARG A 26 12.616 6.562 2.824 1.00 1.01 H new ATOM 0 HE ARG A 26 10.327 4.890 2.160 1.00 4.54 H new ATOM 0 HH11 ARG A 26 12.725 7.140 0.875 1.00 74.04 H new ATOM 0 HH12 ARG A 26 11.693 7.658 -0.462 1.00 74.04 H new ATOM 0 HH21 ARG A 26 9.007 5.559 0.440 1.00 21.35 H new ATOM 0 HH22 ARG A 26 9.596 6.766 -0.708 1.00 21.35 H new ATOM 242 N CYS A 27 15.656 2.911 0.493 1.00 30.44 N ATOM 243 CA CYS A 27 17.029 2.669 0.068 1.00 23.34 C ATOM 244 C CYS A 27 17.831 3.967 0.052 1.00 14.34 C ATOM 245 O CYS A 27 17.518 4.893 -0.697 1.00 32.02 O ATOM 246 CB CYS A 27 17.050 2.027 -1.320 1.00 60.23 C ATOM 247 SG CYS A 27 18.160 0.589 -1.458 1.00 44.34 S ATOM 0 H CYS A 27 15.374 3.891 0.469 1.00 30.44 H new ATOM 0 HA CYS A 27 17.489 1.987 0.783 1.00 23.34 H new ATOM 0 HB2 CYS A 27 16.038 1.717 -1.581 1.00 60.23 H new ATOM 0 HB3 CYS A 27 17.352 2.777 -2.051 1.00 60.23 H new ATOM 252 N TYR A 28 18.865 4.028 0.884 1.00 71.24 N ATOM 253 CA TYR A 28 19.710 5.213 0.967 1.00 20.02 C ATOM 254 C TYR A 28 21.182 4.845 0.808 1.00 70.23 C ATOM 255 O TYR A 28 21.615 3.746 1.155 1.00 72.20 O ATOM 256 CB TYR A 28 19.493 5.927 2.303 1.00 61.34 C ATOM 257 CG TYR A 28 19.969 5.132 3.498 1.00 54.20 C ATOM 258 CD1 TYR A 28 21.308 5.128 3.866 1.00 64.43 C ATOM 259 CD2 TYR A 28 19.078 4.387 4.260 1.00 35.14 C ATOM 260 CE1 TYR A 28 21.747 4.403 4.957 1.00 62.44 C ATOM 261 CE2 TYR A 28 19.507 3.660 5.354 1.00 41.12 C ATOM 262 CZ TYR A 28 20.843 3.671 5.698 1.00 71.34 C ATOM 263 OH TYR A 28 21.276 2.948 6.786 1.00 52.32 O ATOM 0 H TYR A 28 19.138 3.271 1.510 1.00 71.24 H new ATOM 0 HA TYR A 28 19.432 5.884 0.154 1.00 20.02 H new ATOM 0 HB2 TYR A 28 20.014 6.884 2.283 1.00 61.34 H new ATOM 0 HB3 TYR A 28 18.431 6.144 2.421 1.00 61.34 H new ATOM 0 HD1 TYR A 28 22.019 5.702 3.289 1.00 64.43 H new ATOM 0 HD2 TYR A 28 18.032 4.376 3.993 1.00 35.14 H new ATOM 0 HE1 TYR A 28 22.792 4.409 5.228 1.00 62.44 H new ATOM 0 HE2 TYR A 28 18.801 3.087 5.936 1.00 41.12 H new ATOM 0 HH TYR A 28 21.462 2.025 6.513 1.00 52.32 H new ATOM 273 N PRO A 29 21.971 5.786 0.270 1.00 43.52 N ATOM 274 CA PRO A 29 23.407 5.586 0.052 1.00 1.35 C ATOM 275 C PRO A 29 24.190 5.538 1.360 1.00 21.10 C ATOM 276 O PRO A 29 24.225 6.513 2.112 1.00 33.51 O ATOM 277 CB PRO A 29 23.815 6.811 -0.770 1.00 64.13 C ATOM 278 CG PRO A 29 22.810 7.854 -0.422 1.00 22.31 C ATOM 279 CD PRO A 29 21.523 7.119 -0.167 1.00 51.32 C ATOM 0 HA PRO A 29 23.616 4.636 -0.440 1.00 1.35 H new ATOM 0 HB2 PRO A 29 24.825 7.136 -0.521 1.00 64.13 H new ATOM 0 HB3 PRO A 29 23.805 6.592 -1.838 1.00 64.13 H new ATOM 0 HG2 PRO A 29 23.120 8.416 0.459 1.00 22.31 H new ATOM 0 HG3 PRO A 29 22.695 8.572 -1.234 1.00 22.31 H new ATOM 0 HD2 PRO A 29 20.924 7.612 0.598 1.00 51.32 H new ATOM 0 HD3 PRO A 29 20.908 7.062 -1.065 1.00 51.32 H new ATOM 287 N THR A 30 24.819 4.397 1.626 1.00 1.21 N ATOM 288 CA THR A 30 25.601 4.222 2.843 1.00 23.32 C ATOM 289 C THR A 30 26.836 5.115 2.837 1.00 43.22 C ATOM 290 O THR A 30 26.887 6.125 3.539 1.00 41.23 O ATOM 291 CB THR A 30 26.043 2.757 3.021 1.00 75.40 C ATOM 292 OG1 THR A 30 25.406 1.931 2.039 1.00 21.25 O ATOM 293 CG2 THR A 30 25.699 2.253 4.415 1.00 52.23 C ATOM 0 H THR A 30 24.802 3.581 1.015 1.00 1.21 H new ATOM 0 HA THR A 30 24.956 4.504 3.675 1.00 23.32 H new ATOM 0 HB THR A 30 27.124 2.708 2.891 1.00 75.40 H new ATOM 0 HG1 THR A 30 25.283 1.029 2.401 1.00 21.25 H new ATOM 0 HG21 THR A 30 26.021 1.217 4.517 1.00 52.23 H new ATOM 0 HG22 THR A 30 26.208 2.866 5.159 1.00 52.23 H new ATOM 0 HG23 THR A 30 24.622 2.315 4.569 1.00 52.23 H new ATOM 301 N SER A 31 27.830 4.737 2.039 1.00 3.43 N ATOM 302 CA SER A 31 29.067 5.504 1.944 1.00 23.31 C ATOM 303 C SER A 31 29.180 6.186 0.584 1.00 2.12 C ATOM 304 O SER A 31 28.292 6.066 -0.258 1.00 70.13 O ATOM 305 CB SER A 31 30.275 4.593 2.172 1.00 21.22 C ATOM 306 OG SER A 31 31.421 5.345 2.531 1.00 11.41 O ATOM 0 H SER A 31 27.803 3.905 1.449 1.00 3.43 H new ATOM 0 HA SER A 31 29.049 6.273 2.716 1.00 23.31 H new ATOM 0 HB2 SER A 31 30.048 3.873 2.958 1.00 21.22 H new ATOM 0 HB3 SER A 31 30.480 4.022 1.266 1.00 21.22 H new ATOM 0 HG SER A 31 32.178 4.739 2.673 1.00 11.41 H new ATOM 312 N ASN A 32 30.280 6.903 0.379 1.00 43.04 N ATOM 313 CA ASN A 32 30.511 7.606 -0.878 1.00 73.03 C ATOM 314 C ASN A 32 30.586 6.625 -2.044 1.00 71.14 C ATOM 315 O ASN A 32 29.919 6.803 -3.063 1.00 14.32 O ATOM 316 CB ASN A 32 31.802 8.423 -0.801 1.00 11.04 C ATOM 317 CG ASN A 32 31.548 9.915 -0.893 1.00 2.30 C ATOM 318 OD1 ASN A 32 32.089 10.595 -1.765 1.00 41.41 O ATOM 319 ND2 ASN A 32 30.722 10.432 0.009 1.00 31.22 N ATOM 0 H ASN A 32 31.025 7.013 1.067 1.00 43.04 H new ATOM 0 HA ASN A 32 29.672 8.281 -1.047 1.00 73.03 H new ATOM 0 HB2 ASN A 32 32.314 8.201 0.136 1.00 11.04 H new ATOM 0 HB3 ASN A 32 32.469 8.120 -1.608 1.00 11.04 H new ATOM 0 HD21 ASN A 32 30.514 11.430 -0.003 1.00 31.22 H new ATOM 0 HD22 ASN A 32 30.296 9.831 0.714 1.00 31.22 H new ATOM 326 N ALA A 33 31.403 5.588 -1.887 1.00 13.53 N ATOM 327 CA ALA A 33 31.563 4.578 -2.925 1.00 23.34 C ATOM 328 C ALA A 33 30.619 3.402 -2.697 1.00 54.52 C ATOM 329 O ALA A 33 29.825 3.051 -3.571 1.00 41.42 O ATOM 330 CB ALA A 33 33.006 4.096 -2.973 1.00 53.15 C ATOM 0 H ALA A 33 31.964 5.426 -1.051 1.00 13.53 H new ATOM 0 HA ALA A 33 31.310 5.033 -3.883 1.00 23.34 H new ATOM 0 HB1 ALA A 33 33.112 3.342 -3.753 1.00 53.15 H new ATOM 0 HB2 ALA A 33 33.664 4.938 -3.191 1.00 53.15 H new ATOM 0 HB3 ALA A 33 33.277 3.663 -2.010 1.00 53.15 H new ATOM 336 N THR A 34 30.709 2.796 -1.518 1.00 11.15 N ATOM 337 CA THR A 34 29.864 1.659 -1.176 1.00 73.10 C ATOM 338 C THR A 34 30.182 1.137 0.220 1.00 25.42 C ATOM 339 O THR A 34 31.342 1.096 0.628 1.00 44.01 O ATOM 340 CB THR A 34 30.028 0.512 -2.191 1.00 22.12 C ATOM 341 OG1 THR A 34 29.420 -0.682 -1.684 1.00 45.50 O ATOM 342 CG2 THR A 34 31.499 0.254 -2.482 1.00 71.21 C ATOM 0 H THR A 34 31.359 3.074 -0.783 1.00 11.15 H new ATOM 0 HA THR A 34 28.833 2.013 -1.202 1.00 73.10 H new ATOM 0 HB THR A 34 29.536 0.804 -3.119 1.00 22.12 H new ATOM 0 HG1 THR A 34 28.458 -0.535 -1.566 1.00 45.50 H new ATOM 0 HG21 THR A 34 31.590 -0.560 -3.201 1.00 71.21 H new ATOM 0 HG22 THR A 34 31.952 1.155 -2.895 1.00 71.21 H new ATOM 0 HG23 THR A 34 32.010 -0.019 -1.559 1.00 71.21 H new ATOM 350 N ASN A 35 29.145 0.737 0.949 1.00 40.14 N ATOM 351 CA ASN A 35 29.315 0.217 2.300 1.00 24.33 C ATOM 352 C ASN A 35 30.359 -0.896 2.327 1.00 10.13 C ATOM 353 O ASN A 35 30.516 -1.640 1.358 1.00 13.15 O ATOM 354 CB ASN A 35 27.982 -0.306 2.840 1.00 44.12 C ATOM 355 CG ASN A 35 28.148 -1.099 4.122 1.00 44.51 C ATOM 356 OD1 ASN A 35 27.783 -2.272 4.191 1.00 32.01 O ATOM 357 ND2 ASN A 35 28.702 -0.459 5.145 1.00 2.34 N ATOM 0 H ASN A 35 28.178 0.763 0.626 1.00 40.14 H new ATOM 0 HA ASN A 35 29.662 1.032 2.935 1.00 24.33 H new ATOM 0 HB2 ASN A 35 27.311 0.534 3.020 1.00 44.12 H new ATOM 0 HB3 ASN A 35 27.509 -0.935 2.086 1.00 44.12 H new ATOM 0 HD21 ASN A 35 28.840 -0.941 6.034 1.00 2.34 H new ATOM 0 HD22 ASN A 35 28.990 0.514 5.042 1.00 2.34 H new ATOM 364 N THR A 36 31.071 -1.005 3.445 1.00 44.24 N ATOM 365 CA THR A 36 32.100 -2.025 3.599 1.00 63.44 C ATOM 366 C THR A 36 31.861 -2.863 4.850 1.00 50.04 C ATOM 367 O THR A 36 31.336 -2.370 5.848 1.00 2.24 O ATOM 368 CB THR A 36 33.506 -1.399 3.675 1.00 74.43 C ATOM 369 OG1 THR A 36 33.592 -0.281 2.785 1.00 4.43 O ATOM 370 CG2 THR A 36 34.574 -2.422 3.317 1.00 34.02 C ATOM 0 H THR A 36 30.953 -0.399 4.257 1.00 44.24 H new ATOM 0 HA THR A 36 32.043 -2.666 2.719 1.00 63.44 H new ATOM 0 HB THR A 36 33.676 -1.063 4.698 1.00 74.43 H new ATOM 0 HG1 THR A 36 34.488 0.113 2.840 1.00 4.43 H new ATOM 0 HG21 THR A 36 35.558 -1.957 3.378 1.00 34.02 H new ATOM 0 HG22 THR A 36 34.524 -3.259 4.014 1.00 34.02 H new ATOM 0 HG23 THR A 36 34.406 -2.784 2.303 1.00 34.02 H new ATOM 378 N CYS A 37 32.249 -4.132 4.789 1.00 24.33 N ATOM 379 CA CYS A 37 32.078 -5.039 5.918 1.00 74.54 C ATOM 380 C CYS A 37 33.346 -5.853 6.159 1.00 12.15 C ATOM 381 O CYS A 37 33.746 -6.663 5.323 1.00 51.10 O ATOM 382 CB CYS A 37 30.896 -5.979 5.668 1.00 11.33 C ATOM 383 SG CYS A 37 30.693 -7.271 6.936 1.00 13.24 S ATOM 0 H CYS A 37 32.684 -4.556 3.970 1.00 24.33 H new ATOM 0 HA CYS A 37 31.877 -4.440 6.806 1.00 74.54 H new ATOM 0 HB2 CYS A 37 29.981 -5.389 5.616 1.00 11.33 H new ATOM 0 HB3 CYS A 37 31.024 -6.456 4.696 1.00 11.33 H new ATOM 388 N PHE A 38 33.974 -5.631 7.310 1.00 73.54 N ATOM 389 CA PHE A 38 35.197 -6.343 7.662 1.00 11.11 C ATOM 390 C PHE A 38 36.227 -6.241 6.541 1.00 24.15 C ATOM 391 O PHE A 38 36.765 -7.249 6.084 1.00 54.22 O ATOM 392 CB PHE A 38 34.890 -7.813 7.957 1.00 44.35 C ATOM 393 CG PHE A 38 34.217 -8.031 9.281 1.00 15.10 C ATOM 394 CD1 PHE A 38 33.803 -6.954 10.049 1.00 65.21 C ATOM 395 CD2 PHE A 38 33.997 -9.313 9.758 1.00 12.05 C ATOM 396 CE1 PHE A 38 33.183 -7.151 11.268 1.00 33.50 C ATOM 397 CE2 PHE A 38 33.376 -9.516 10.977 1.00 62.44 C ATOM 398 CZ PHE A 38 32.970 -8.434 11.733 1.00 71.42 C ATOM 0 H PHE A 38 33.656 -4.964 8.014 1.00 73.54 H new ATOM 0 HA PHE A 38 35.613 -5.880 8.557 1.00 11.11 H new ATOM 0 HB2 PHE A 38 34.254 -8.209 7.166 1.00 44.35 H new ATOM 0 HB3 PHE A 38 35.819 -8.382 7.933 1.00 44.35 H new ATOM 0 HD1 PHE A 38 33.967 -5.949 9.690 1.00 65.21 H new ATOM 0 HD2 PHE A 38 34.314 -10.163 9.172 1.00 12.05 H new ATOM 0 HE1 PHE A 38 32.865 -6.303 11.856 1.00 33.50 H new ATOM 0 HE2 PHE A 38 33.209 -10.520 11.337 1.00 62.44 H new ATOM 0 HZ PHE A 38 32.487 -8.591 12.686 1.00 71.42 H new ATOM 408 N GLY A 39 36.498 -5.015 6.104 1.00 72.15 N ATOM 409 CA GLY A 39 37.462 -4.803 5.040 1.00 60.12 C ATOM 410 C GLY A 39 36.869 -5.036 3.665 1.00 72.34 C ATOM 411 O GLY A 39 36.921 -4.160 2.802 1.00 43.13 O ATOM 0 H GLY A 39 36.067 -4.165 6.468 1.00 72.15 H new ATOM 0 HA2 GLY A 39 37.845 -3.784 5.099 1.00 60.12 H new ATOM 0 HA3 GLY A 39 38.311 -5.472 5.184 1.00 60.12 H new ATOM 415 N SER A 40 36.304 -6.222 3.459 1.00 50.24 N ATOM 416 CA SER A 40 35.703 -6.570 2.176 1.00 2.23 C ATOM 417 C SER A 40 34.468 -5.716 1.906 1.00 71.34 C ATOM 418 O SER A 40 33.480 -5.783 2.637 1.00 74.43 O ATOM 419 CB SER A 40 35.328 -8.053 2.151 1.00 51.23 C ATOM 420 OG SER A 40 36.277 -8.831 2.859 1.00 61.34 O ATOM 0 H SER A 40 36.250 -6.958 4.164 1.00 50.24 H new ATOM 0 HA SER A 40 36.436 -6.375 1.393 1.00 2.23 H new ATOM 0 HB2 SER A 40 34.340 -8.189 2.592 1.00 51.23 H new ATOM 0 HB3 SER A 40 35.267 -8.399 1.119 1.00 51.23 H new ATOM 0 HG SER A 40 36.014 -9.775 2.830 1.00 61.34 H new ATOM 426 N LYS A 41 34.532 -4.913 0.849 1.00 13.02 N ATOM 427 CA LYS A 41 33.420 -4.046 0.479 1.00 54.25 C ATOM 428 C LYS A 41 32.230 -4.866 -0.010 1.00 13.32 C ATOM 429 O LYS A 41 32.398 -5.879 -0.690 1.00 10.21 O ATOM 430 CB LYS A 41 33.855 -3.061 -0.609 1.00 14.21 C ATOM 431 CG LYS A 41 35.112 -2.284 -0.259 1.00 21.34 C ATOM 432 CD LYS A 41 35.655 -1.530 -1.461 1.00 31.12 C ATOM 433 CE LYS A 41 34.657 -0.501 -1.970 1.00 4.11 C ATOM 434 NZ LYS A 41 35.315 0.794 -2.298 1.00 44.03 N ATOM 0 H LYS A 41 35.343 -4.845 0.234 1.00 13.02 H new ATOM 0 HA LYS A 41 33.116 -3.489 1.365 1.00 54.25 H new ATOM 0 HB2 LYS A 41 34.023 -3.608 -1.537 1.00 14.21 H new ATOM 0 HB3 LYS A 41 33.044 -2.358 -0.796 1.00 14.21 H new ATOM 0 HG2 LYS A 41 34.894 -1.581 0.545 1.00 21.34 H new ATOM 0 HG3 LYS A 41 35.872 -2.970 0.115 1.00 21.34 H new ATOM 0 HD2 LYS A 41 36.586 -1.032 -1.190 1.00 31.12 H new ATOM 0 HD3 LYS A 41 35.891 -2.235 -2.258 1.00 31.12 H new ATOM 0 HE2 LYS A 41 34.156 -0.889 -2.857 1.00 4.11 H new ATOM 0 HE3 LYS A 41 33.888 -0.337 -1.215 1.00 4.11 H new ATOM 0 HZ1 LYS A 41 34.602 1.469 -2.641 1.00 44.03 H new ATOM 0 HZ2 LYS A 41 35.772 1.177 -1.446 1.00 44.03 H new ATOM 0 HZ3 LYS A 41 36.032 0.642 -3.036 1.00 44.03 H new ATOM 448 N LEU A 42 31.028 -4.421 0.340 1.00 74.14 N ATOM 449 CA LEU A 42 29.809 -5.113 -0.065 1.00 33.13 C ATOM 450 C LEU A 42 29.457 -4.795 -1.515 1.00 3.05 C ATOM 451 O LEU A 42 29.827 -3.752 -2.054 1.00 15.41 O ATOM 452 CB LEU A 42 28.648 -4.721 0.851 1.00 1.52 C ATOM 453 CG LEU A 42 28.800 -5.096 2.326 1.00 71.44 C ATOM 454 CD1 LEU A 42 29.357 -6.505 2.463 1.00 53.12 C ATOM 455 CD2 LEU A 42 29.695 -4.095 3.042 1.00 74.12 C ATOM 0 H LEU A 42 30.871 -3.585 0.903 1.00 74.14 H new ATOM 0 HA LEU A 42 29.985 -6.185 0.020 1.00 33.13 H new ATOM 0 HB2 LEU A 42 28.507 -3.642 0.784 1.00 1.52 H new ATOM 0 HB3 LEU A 42 27.738 -5.186 0.471 1.00 1.52 H new ATOM 0 HG LEU A 42 27.815 -5.069 2.791 1.00 71.44 H new ATOM 0 HD11 LEU A 42 29.459 -6.755 3.519 1.00 53.12 H new ATOM 0 HD12 LEU A 42 28.679 -7.212 1.986 1.00 53.12 H new ATOM 0 HD13 LEU A 42 30.334 -6.559 1.982 1.00 53.12 H new ATOM 0 HD21 LEU A 42 29.792 -4.378 4.090 1.00 74.12 H new ATOM 0 HD22 LEU A 42 30.680 -4.089 2.576 1.00 74.12 H new ATOM 0 HD23 LEU A 42 29.255 -3.100 2.974 1.00 74.12 H new ATOM 467 N PRO A 43 28.725 -5.714 -2.161 1.00 53.44 N ATOM 468 CA PRO A 43 28.305 -5.552 -3.557 1.00 33.04 C ATOM 469 C PRO A 43 27.257 -4.457 -3.723 1.00 42.45 C ATOM 470 O PRO A 43 26.893 -4.098 -4.844 1.00 4.44 O ATOM 471 CB PRO A 43 27.711 -6.918 -3.909 1.00 34.14 C ATOM 472 CG PRO A 43 27.272 -7.488 -2.604 1.00 14.10 C ATOM 473 CD PRO A 43 28.249 -6.981 -1.580 1.00 44.55 C ATOM 0 HA PRO A 43 29.133 -5.253 -4.200 1.00 33.04 H new ATOM 0 HB2 PRO A 43 26.874 -6.819 -4.600 1.00 34.14 H new ATOM 0 HB3 PRO A 43 28.449 -7.558 -4.392 1.00 34.14 H new ATOM 0 HG2 PRO A 43 26.256 -7.174 -2.363 1.00 14.10 H new ATOM 0 HG3 PRO A 43 27.270 -8.578 -2.635 1.00 14.10 H new ATOM 0 HD2 PRO A 43 27.772 -6.825 -0.612 1.00 44.55 H new ATOM 0 HD3 PRO A 43 29.067 -7.684 -1.423 1.00 44.55 H new ATOM 481 N TYR A 44 26.776 -3.929 -2.603 1.00 43.13 N ATOM 482 CA TYR A 44 25.769 -2.875 -2.626 1.00 33.30 C ATOM 483 C TYR A 44 26.282 -1.616 -1.935 1.00 12.25 C ATOM 484 O TYR A 44 27.120 -1.686 -1.037 1.00 23.13 O ATOM 485 CB TYR A 44 24.484 -3.355 -1.949 1.00 13.23 C ATOM 486 CG TYR A 44 24.723 -4.330 -0.818 1.00 52.02 C ATOM 487 CD1 TYR A 44 25.107 -3.884 0.441 1.00 54.24 C ATOM 488 CD2 TYR A 44 24.566 -5.697 -1.009 1.00 32.23 C ATOM 489 CE1 TYR A 44 25.327 -4.771 1.476 1.00 31.04 C ATOM 490 CE2 TYR A 44 24.782 -6.591 0.022 1.00 64.54 C ATOM 491 CZ TYR A 44 25.163 -6.124 1.262 1.00 11.31 C ATOM 492 OH TYR A 44 25.381 -7.011 2.291 1.00 60.43 O ATOM 0 H TYR A 44 27.067 -4.214 -1.668 1.00 43.13 H new ATOM 0 HA TYR A 44 25.555 -2.634 -3.667 1.00 33.30 H new ATOM 0 HB2 TYR A 44 23.941 -2.491 -1.564 1.00 13.23 H new ATOM 0 HB3 TYR A 44 23.845 -3.827 -2.695 1.00 13.23 H new ATOM 0 HD1 TYR A 44 25.236 -2.826 0.613 1.00 54.24 H new ATOM 0 HD2 TYR A 44 24.270 -6.067 -1.980 1.00 32.23 H new ATOM 0 HE1 TYR A 44 25.626 -4.408 2.448 1.00 31.04 H new ATOM 0 HE2 TYR A 44 24.653 -7.651 -0.143 1.00 64.54 H new ATOM 0 HH TYR A 44 24.889 -6.717 3.086 1.00 60.43 H new ATOM 502 N GLU A 45 25.771 -0.465 -2.360 1.00 53.22 N ATOM 503 CA GLU A 45 26.177 0.811 -1.782 1.00 61.25 C ATOM 504 C GLU A 45 24.991 1.515 -1.129 1.00 61.31 C ATOM 505 O GLU A 45 25.078 2.685 -0.755 1.00 41.14 O ATOM 506 CB GLU A 45 26.789 1.711 -2.858 1.00 3.03 C ATOM 507 CG GLU A 45 25.766 2.296 -3.817 1.00 22.31 C ATOM 508 CD GLU A 45 26.362 2.636 -5.169 1.00 71.53 C ATOM 509 OE1 GLU A 45 27.466 3.218 -5.203 1.00 13.25 O ATOM 510 OE2 GLU A 45 25.723 2.318 -6.195 1.00 5.13 O ATOM 0 H GLU A 45 25.075 -0.390 -3.102 1.00 53.22 H new ATOM 0 HA GLU A 45 26.926 0.612 -1.015 1.00 61.25 H new ATOM 0 HB2 GLU A 45 27.329 2.525 -2.375 1.00 3.03 H new ATOM 0 HB3 GLU A 45 27.521 1.137 -3.427 1.00 3.03 H new ATOM 0 HG2 GLU A 45 24.951 1.584 -3.952 1.00 22.31 H new ATOM 0 HG3 GLU A 45 25.334 3.195 -3.378 1.00 22.31 H new ATOM 517 N LEU A 46 23.884 0.794 -0.995 1.00 75.42 N ATOM 518 CA LEU A 46 22.679 1.348 -0.388 1.00 34.24 C ATOM 519 C LEU A 46 22.281 0.556 0.854 1.00 71.53 C ATOM 520 O LEU A 46 22.853 -0.496 1.141 1.00 1.31 O ATOM 521 CB LEU A 46 21.529 1.348 -1.396 1.00 53.15 C ATOM 522 CG LEU A 46 21.731 2.209 -2.644 1.00 15.21 C ATOM 523 CD1 LEU A 46 20.737 1.820 -3.727 1.00 52.24 C ATOM 524 CD2 LEU A 46 21.597 3.686 -2.300 1.00 72.51 C ATOM 0 H LEU A 46 23.796 -0.176 -1.298 1.00 75.42 H new ATOM 0 HA LEU A 46 22.892 2.374 -0.090 1.00 34.24 H new ATOM 0 HB2 LEU A 46 21.350 0.321 -1.713 1.00 53.15 H new ATOM 0 HB3 LEU A 46 20.626 1.687 -0.887 1.00 53.15 H new ATOM 0 HG LEU A 46 22.738 2.035 -3.024 1.00 15.21 H new ATOM 0 HD11 LEU A 46 20.896 2.443 -4.607 1.00 52.24 H new ATOM 0 HD12 LEU A 46 20.880 0.773 -3.993 1.00 52.24 H new ATOM 0 HD13 LEU A 46 19.722 1.965 -3.358 1.00 52.24 H new ATOM 0 HD21 LEU A 46 21.744 4.284 -3.200 1.00 72.51 H new ATOM 0 HD22 LEU A 46 20.603 3.877 -1.896 1.00 72.51 H new ATOM 0 HD23 LEU A 46 22.348 3.956 -1.558 1.00 72.51 H new ATOM 536 N SER A 47 21.295 1.066 1.585 1.00 43.32 N ATOM 537 CA SER A 47 20.822 0.407 2.796 1.00 14.43 C ATOM 538 C SER A 47 19.371 0.781 3.086 1.00 21.12 C ATOM 539 O SER A 47 18.869 1.792 2.595 1.00 31.14 O ATOM 540 CB SER A 47 21.705 0.786 3.987 1.00 62.54 C ATOM 541 OG SER A 47 20.954 0.823 5.188 1.00 41.13 O ATOM 0 H SER A 47 20.808 1.934 1.359 1.00 43.32 H new ATOM 0 HA SER A 47 20.878 -0.670 2.639 1.00 14.43 H new ATOM 0 HB2 SER A 47 22.518 0.066 4.085 1.00 62.54 H new ATOM 0 HB3 SER A 47 22.161 1.760 3.810 1.00 62.54 H new ATOM 0 HG SER A 47 20.437 1.654 5.225 1.00 41.13 H new ATOM 547 N SER A 48 18.703 -0.043 3.887 1.00 22.04 N ATOM 548 CA SER A 48 17.309 0.197 4.241 1.00 40.43 C ATOM 549 C SER A 48 17.134 0.249 5.755 1.00 14.33 C ATOM 550 O SER A 48 17.110 -0.784 6.425 1.00 21.12 O ATOM 551 CB SER A 48 16.415 -0.895 3.649 1.00 5.35 C ATOM 552 OG SER A 48 15.071 -0.735 4.068 1.00 71.34 O ATOM 0 H SER A 48 19.105 -0.883 4.303 1.00 22.04 H new ATOM 0 HA SER A 48 17.015 1.161 3.826 1.00 40.43 H new ATOM 0 HB2 SER A 48 16.467 -0.862 2.561 1.00 5.35 H new ATOM 0 HB3 SER A 48 16.781 -1.875 3.956 1.00 5.35 H new ATOM 0 HG SER A 48 14.783 -1.535 4.556 1.00 71.34 H new ATOM 558 N LEU A 49 17.011 1.460 6.289 1.00 33.50 N ATOM 559 CA LEU A 49 16.837 1.648 7.725 1.00 1.41 C ATOM 560 C LEU A 49 15.542 1.002 8.207 1.00 42.02 C ATOM 561 O LEU A 49 15.437 0.585 9.360 1.00 34.32 O ATOM 562 CB LEU A 49 16.834 3.139 8.067 1.00 51.54 C ATOM 563 CG LEU A 49 17.829 3.584 9.139 1.00 14.53 C ATOM 564 CD1 LEU A 49 17.389 3.096 10.511 1.00 71.23 C ATOM 565 CD2 LEU A 49 19.226 3.078 8.814 1.00 42.24 C ATOM 0 H LEU A 49 17.029 2.325 5.749 1.00 33.50 H new ATOM 0 HA LEU A 49 17.672 1.166 8.233 1.00 1.41 H new ATOM 0 HB2 LEU A 49 17.038 3.701 7.155 1.00 51.54 H new ATOM 0 HB3 LEU A 49 15.831 3.414 8.394 1.00 51.54 H new ATOM 0 HG LEU A 49 17.854 4.674 9.154 1.00 14.53 H new ATOM 0 HD11 LEU A 49 18.109 3.422 11.261 1.00 71.23 H new ATOM 0 HD12 LEU A 49 16.408 3.508 10.746 1.00 71.23 H new ATOM 0 HD13 LEU A 49 17.334 2.007 10.510 1.00 71.23 H new ATOM 0 HD21 LEU A 49 19.920 3.405 9.588 1.00 42.24 H new ATOM 0 HD22 LEU A 49 19.217 1.989 8.770 1.00 42.24 H new ATOM 0 HD23 LEU A 49 19.543 3.477 7.851 1.00 42.24 H new ATOM 577 N ASP A 50 14.561 0.921 7.315 1.00 34.24 N ATOM 578 CA ASP A 50 13.273 0.322 7.648 1.00 22.12 C ATOM 579 C ASP A 50 13.427 -1.167 7.944 1.00 13.34 C ATOM 580 O ASP A 50 12.579 -1.770 8.603 1.00 31.24 O ATOM 581 CB ASP A 50 12.280 0.527 6.503 1.00 10.04 C ATOM 582 CG ASP A 50 10.844 0.590 6.987 1.00 44.03 C ATOM 583 OD1 ASP A 50 10.308 -0.463 7.390 1.00 1.34 O ATOM 584 OD2 ASP A 50 10.257 1.692 6.960 1.00 31.03 O ATOM 0 H ASP A 50 14.633 1.262 6.356 1.00 34.24 H new ATOM 0 HA ASP A 50 12.891 0.815 8.542 1.00 22.12 H new ATOM 0 HB2 ASP A 50 12.523 1.449 5.975 1.00 10.04 H new ATOM 0 HB3 ASP A 50 12.383 -0.287 5.786 1.00 10.04 H new ATOM 589 N LEU A 51 14.512 -1.753 7.453 1.00 64.52 N ATOM 590 CA LEU A 51 14.777 -3.173 7.664 1.00 41.54 C ATOM 591 C LEU A 51 15.262 -3.430 9.087 1.00 60.44 C ATOM 592 O LEU A 51 15.434 -4.579 9.498 1.00 44.55 O ATOM 593 CB LEU A 51 15.818 -3.672 6.660 1.00 75.13 C ATOM 594 CG LEU A 51 15.673 -5.127 6.211 1.00 53.42 C ATOM 595 CD1 LEU A 51 14.280 -5.377 5.653 1.00 21.14 C ATOM 596 CD2 LEU A 51 16.734 -5.474 5.176 1.00 14.44 C ATOM 0 H LEU A 51 15.223 -1.268 6.906 1.00 64.52 H new ATOM 0 HA LEU A 51 13.845 -3.718 7.513 1.00 41.54 H new ATOM 0 HB2 LEU A 51 15.777 -3.034 5.777 1.00 75.13 H new ATOM 0 HB3 LEU A 51 16.807 -3.545 7.099 1.00 75.13 H new ATOM 0 HG LEU A 51 15.816 -5.771 7.079 1.00 53.42 H new ATOM 0 HD11 LEU A 51 14.195 -6.417 5.339 1.00 21.14 H new ATOM 0 HD12 LEU A 51 13.537 -5.169 6.423 1.00 21.14 H new ATOM 0 HD13 LEU A 51 14.108 -4.724 4.797 1.00 21.14 H new ATOM 0 HD21 LEU A 51 16.616 -6.513 4.868 1.00 14.44 H new ATOM 0 HD22 LEU A 51 16.623 -4.823 4.309 1.00 14.44 H new ATOM 0 HD23 LEU A 51 17.724 -5.335 5.609 1.00 14.44 H new ATOM 608 N THR A 52 15.479 -2.354 9.837 1.00 71.43 N ATOM 609 CA THR A 52 15.943 -2.464 11.214 1.00 13.40 C ATOM 610 C THR A 52 15.081 -1.627 12.152 1.00 12.34 C ATOM 611 O THR A 52 14.115 -0.994 11.725 1.00 42.11 O ATOM 612 CB THR A 52 17.411 -2.018 11.349 1.00 11.05 C ATOM 613 OG1 THR A 52 17.670 -0.912 10.477 1.00 33.23 O ATOM 614 CG2 THR A 52 18.357 -3.163 11.019 1.00 14.14 C ATOM 0 H THR A 52 15.341 -1.397 9.514 1.00 71.43 H new ATOM 0 HA THR A 52 15.863 -3.515 11.492 1.00 13.40 H new ATOM 0 HB THR A 52 17.581 -1.713 12.382 1.00 11.05 H new ATOM 0 HG1 THR A 52 16.837 -0.421 10.315 1.00 33.23 H new ATOM 0 HG21 THR A 52 19.388 -2.824 11.121 1.00 14.14 H new ATOM 0 HG22 THR A 52 18.178 -3.992 11.704 1.00 14.14 H new ATOM 0 HG23 THR A 52 18.184 -3.494 9.995 1.00 14.14 H new ATOM 622 N ASP A 53 15.436 -1.627 13.432 1.00 21.14 N ATOM 623 CA ASP A 53 14.696 -0.866 14.432 1.00 54.33 C ATOM 624 C ASP A 53 15.561 0.245 15.019 1.00 34.15 C ATOM 625 O ASP A 53 15.903 0.220 16.202 1.00 70.52 O ATOM 626 CB ASP A 53 14.203 -1.790 15.547 1.00 45.05 C ATOM 627 CG ASP A 53 12.954 -1.264 16.225 1.00 74.53 C ATOM 628 OD1 ASP A 53 11.954 -1.020 15.518 1.00 73.11 O ATOM 629 OD2 ASP A 53 12.975 -1.097 17.462 1.00 5.33 O ATOM 0 H ASP A 53 16.232 -2.146 13.802 1.00 21.14 H new ATOM 0 HA ASP A 53 13.835 -0.411 13.942 1.00 54.33 H new ATOM 0 HB2 ASP A 53 14.000 -2.778 15.133 1.00 45.05 H new ATOM 0 HB3 ASP A 53 14.992 -1.912 16.289 1.00 45.05 H new ATOM 634 N PHE A 54 15.912 1.218 14.186 1.00 54.52 N ATOM 635 CA PHE A 54 16.739 2.337 14.622 1.00 14.52 C ATOM 636 C PHE A 54 16.072 3.669 14.289 1.00 61.14 C ATOM 637 O PHE A 54 14.939 3.706 13.809 1.00 74.34 O ATOM 638 CB PHE A 54 18.118 2.266 13.965 1.00 45.22 C ATOM 639 CG PHE A 54 18.850 0.985 14.244 1.00 22.43 C ATOM 640 CD1 PHE A 54 19.256 0.669 15.531 1.00 15.32 C ATOM 641 CD2 PHE A 54 19.133 0.095 13.220 1.00 1.41 C ATOM 642 CE1 PHE A 54 19.929 -0.509 15.792 1.00 73.40 C ATOM 643 CE2 PHE A 54 19.805 -1.085 13.475 1.00 45.11 C ATOM 644 CZ PHE A 54 20.205 -1.387 14.762 1.00 31.11 C ATOM 0 H PHE A 54 15.637 1.255 13.205 1.00 54.52 H new ATOM 0 HA PHE A 54 16.856 2.270 15.704 1.00 14.52 H new ATOM 0 HB2 PHE A 54 18.004 2.383 12.887 1.00 45.22 H new ATOM 0 HB3 PHE A 54 18.722 3.104 14.315 1.00 45.22 H new ATOM 0 HD1 PHE A 54 19.044 1.352 16.340 1.00 15.32 H new ATOM 0 HD2 PHE A 54 18.825 0.326 12.211 1.00 1.41 H new ATOM 0 HE1 PHE A 54 20.239 -0.743 16.800 1.00 73.40 H new ATOM 0 HE2 PHE A 54 20.017 -1.771 12.668 1.00 45.11 H new ATOM 0 HZ PHE A 54 20.733 -2.308 14.963 1.00 31.11 H new ATOM 654 N HIS A 55 16.784 4.761 14.547 1.00 11.40 N ATOM 655 CA HIS A 55 16.262 6.096 14.275 1.00 42.05 C ATOM 656 C HIS A 55 17.237 6.895 13.415 1.00 52.14 C ATOM 657 O HIS A 55 16.977 8.049 13.072 1.00 5.42 O ATOM 658 CB HIS A 55 15.992 6.838 15.584 1.00 43.22 C ATOM 659 CG HIS A 55 14.537 6.945 15.923 1.00 44.34 C ATOM 660 ND1 HIS A 55 13.823 5.920 16.506 1.00 50.13 N ATOM 661 CD2 HIS A 55 13.663 7.965 15.759 1.00 51.44 C ATOM 662 CE1 HIS A 55 12.572 6.304 16.684 1.00 13.31 C ATOM 663 NE2 HIS A 55 12.448 7.542 16.239 1.00 24.15 N ATOM 0 H HIS A 55 17.724 4.748 14.944 1.00 11.40 H new ATOM 0 HA HIS A 55 15.325 5.989 13.728 1.00 42.05 H new ATOM 0 HB2 HIS A 55 16.509 6.326 16.396 1.00 43.22 H new ATOM 0 HB3 HIS A 55 16.416 7.840 15.518 1.00 43.22 H new ATOM 0 HD2 HIS A 55 13.881 8.932 15.330 1.00 51.44 H new ATOM 0 HE1 HIS A 55 11.784 5.707 17.119 1.00 13.31 H new ATOM 0 HE2 HIS A 55 11.590 8.093 16.250 1.00 24.15 H new ATOM 671 N THR A 56 18.360 6.274 13.069 1.00 62.02 N ATOM 672 CA THR A 56 19.374 6.927 12.251 1.00 2.40 C ATOM 673 C THR A 56 20.577 6.017 12.035 1.00 24.43 C ATOM 674 O THR A 56 20.818 5.096 12.816 1.00 50.50 O ATOM 675 CB THR A 56 19.850 8.245 12.892 1.00 22.54 C ATOM 676 OG1 THR A 56 21.152 8.586 12.402 1.00 34.11 O ATOM 677 CG2 THR A 56 19.889 8.125 14.408 1.00 2.04 C ATOM 0 H THR A 56 18.590 5.319 13.343 1.00 62.02 H new ATOM 0 HA THR A 56 18.911 7.146 11.289 1.00 2.40 H new ATOM 0 HB THR A 56 19.144 9.031 12.623 1.00 22.54 H new ATOM 0 HG1 THR A 56 21.115 9.455 11.951 1.00 34.11 H new ATOM 0 HG21 THR A 56 20.228 9.067 14.839 1.00 2.04 H new ATOM 0 HG22 THR A 56 18.891 7.894 14.780 1.00 2.04 H new ATOM 0 HG23 THR A 56 20.576 7.328 14.692 1.00 2.04 H new ATOM 685 N GLU A 57 21.330 6.280 10.972 1.00 61.14 N ATOM 686 CA GLU A 57 22.509 5.482 10.654 1.00 12.24 C ATOM 687 C GLU A 57 23.420 5.351 11.871 1.00 24.11 C ATOM 688 O GLU A 57 23.894 4.261 12.192 1.00 33.42 O ATOM 689 CB GLU A 57 23.280 6.111 9.492 1.00 75.24 C ATOM 690 CG GLU A 57 22.408 6.442 8.292 1.00 72.22 C ATOM 691 CD GLU A 57 22.382 7.926 7.981 1.00 63.31 C ATOM 692 OE1 GLU A 57 21.750 8.682 8.747 1.00 54.22 O ATOM 693 OE2 GLU A 57 22.996 8.330 6.971 1.00 10.31 O ATOM 0 H GLU A 57 21.145 7.039 10.316 1.00 61.14 H new ATOM 0 HA GLU A 57 22.175 4.486 10.362 1.00 12.24 H new ATOM 0 HB2 GLU A 57 23.766 7.023 9.840 1.00 75.24 H new ATOM 0 HB3 GLU A 57 24.070 5.428 9.179 1.00 75.24 H new ATOM 0 HG2 GLU A 57 22.774 5.898 7.421 1.00 72.22 H new ATOM 0 HG3 GLU A 57 21.392 6.096 8.480 1.00 72.22 H new ATOM 700 N LYS A 58 23.663 6.470 12.545 1.00 50.22 N ATOM 701 CA LYS A 58 24.517 6.483 13.727 1.00 72.33 C ATOM 702 C LYS A 58 24.046 5.453 14.749 1.00 61.23 C ATOM 703 O LYS A 58 24.856 4.848 15.451 1.00 74.23 O ATOM 704 CB LYS A 58 24.527 7.876 14.359 1.00 42.31 C ATOM 705 CG LYS A 58 23.141 8.410 14.678 1.00 24.34 C ATOM 706 CD LYS A 58 22.989 9.859 14.248 1.00 73.24 C ATOM 707 CE LYS A 58 23.429 10.816 15.345 1.00 60.23 C ATOM 708 NZ LYS A 58 24.016 12.066 14.788 1.00 61.23 N ATOM 0 H LYS A 58 23.280 7.381 12.292 1.00 50.22 H new ATOM 0 HA LYS A 58 25.529 6.225 13.416 1.00 72.33 H new ATOM 0 HB2 LYS A 58 25.115 7.845 15.276 1.00 42.31 H new ATOM 0 HB3 LYS A 58 25.027 8.569 13.683 1.00 42.31 H new ATOM 0 HG2 LYS A 58 22.391 7.800 14.175 1.00 24.34 H new ATOM 0 HG3 LYS A 58 22.955 8.326 15.749 1.00 24.34 H new ATOM 0 HD2 LYS A 58 23.581 10.037 13.350 1.00 73.24 H new ATOM 0 HD3 LYS A 58 21.949 10.055 13.988 1.00 73.24 H new ATOM 0 HE2 LYS A 58 22.574 11.065 15.974 1.00 60.23 H new ATOM 0 HE3 LYS A 58 24.162 10.324 15.984 1.00 60.23 H new ATOM 0 HZ1 LYS A 58 24.303 12.692 15.567 1.00 61.23 H new ATOM 0 HZ2 LYS A 58 24.847 11.831 14.208 1.00 61.23 H new ATOM 0 HZ3 LYS A 58 23.308 12.549 14.199 1.00 61.23 H new ATOM 722 N GLU A 59 22.733 5.259 14.825 1.00 22.50 N ATOM 723 CA GLU A 59 22.157 4.301 15.761 1.00 34.23 C ATOM 724 C GLU A 59 22.534 2.872 15.380 1.00 41.31 C ATOM 725 O GLU A 59 22.882 2.060 16.238 1.00 70.32 O ATOM 726 CB GLU A 59 20.634 4.445 15.799 1.00 33.33 C ATOM 727 CG GLU A 59 20.098 4.894 17.148 1.00 23.15 C ATOM 728 CD GLU A 59 19.177 3.869 17.781 1.00 1.12 C ATOM 729 OE1 GLU A 59 19.688 2.872 18.334 1.00 53.45 O ATOM 730 OE2 GLU A 59 17.945 4.065 17.724 1.00 71.51 O ATOM 0 H GLU A 59 22.049 5.752 14.251 1.00 22.50 H new ATOM 0 HA GLU A 59 22.560 4.512 16.751 1.00 34.23 H new ATOM 0 HB2 GLU A 59 20.326 5.163 15.038 1.00 33.33 H new ATOM 0 HB3 GLU A 59 20.181 3.489 15.537 1.00 33.33 H new ATOM 0 HG2 GLU A 59 20.934 5.090 17.820 1.00 23.15 H new ATOM 0 HG3 GLU A 59 19.560 5.834 17.026 1.00 23.15 H new ATOM 737 N LEU A 60 22.462 2.573 14.088 1.00 65.23 N ATOM 738 CA LEU A 60 22.796 1.242 13.591 1.00 51.30 C ATOM 739 C LEU A 60 24.264 0.918 13.846 1.00 23.15 C ATOM 740 O LEU A 60 24.597 -0.170 14.315 1.00 2.44 O ATOM 741 CB LEU A 60 22.493 1.144 12.095 1.00 41.32 C ATOM 742 CG LEU A 60 22.414 -0.269 11.517 1.00 35.33 C ATOM 743 CD1 LEU A 60 21.382 -0.333 10.402 1.00 52.02 C ATOM 744 CD2 LEU A 60 23.777 -0.716 11.011 1.00 23.10 C ATOM 0 H LEU A 60 22.176 3.233 13.365 1.00 65.23 H new ATOM 0 HA LEU A 60 22.184 0.517 14.128 1.00 51.30 H new ATOM 0 HB2 LEU A 60 21.545 1.647 11.903 1.00 41.32 H new ATOM 0 HB3 LEU A 60 23.262 1.694 11.552 1.00 41.32 H new ATOM 0 HG LEU A 60 22.103 -0.948 12.311 1.00 35.33 H new ATOM 0 HD11 LEU A 60 21.340 -1.346 10.003 1.00 52.02 H new ATOM 0 HD12 LEU A 60 20.404 -0.057 10.795 1.00 52.02 H new ATOM 0 HD13 LEU A 60 21.662 0.359 9.607 1.00 52.02 H new ATOM 0 HD21 LEU A 60 23.701 -1.724 10.603 1.00 23.10 H new ATOM 0 HD22 LEU A 60 24.117 -0.034 10.232 1.00 23.10 H new ATOM 0 HD23 LEU A 60 24.491 -0.711 11.835 1.00 23.10 H new ATOM 756 N ASN A 61 25.138 1.870 13.537 1.00 40.35 N ATOM 757 CA ASN A 61 26.571 1.686 13.734 1.00 2.42 C ATOM 758 C ASN A 61 26.918 1.669 15.220 1.00 74.30 C ATOM 759 O ASN A 61 27.625 0.779 15.692 1.00 5.13 O ATOM 760 CB ASN A 61 27.351 2.799 13.030 1.00 21.25 C ATOM 761 CG ASN A 61 28.134 2.289 11.836 1.00 53.44 C ATOM 762 OD1 ASN A 61 29.301 2.634 11.652 1.00 63.53 O ATOM 763 ND2 ASN A 61 27.492 1.465 11.016 1.00 32.20 N ATOM 0 H ASN A 61 24.879 2.777 13.149 1.00 40.35 H new ATOM 0 HA ASN A 61 26.851 0.725 13.302 1.00 2.42 H new ATOM 0 HB2 ASN A 61 26.658 3.574 12.703 1.00 21.25 H new ATOM 0 HB3 ASN A 61 28.036 3.263 13.739 1.00 21.25 H new ATOM 0 HD21 ASN A 61 27.967 1.091 10.194 1.00 32.20 H new ATOM 0 HD22 ASN A 61 26.524 1.206 11.208 1.00 32.20 H new ATOM 770 N ASP A 62 26.413 2.657 15.951 1.00 63.30 N ATOM 771 CA ASP A 62 26.667 2.754 17.384 1.00 44.44 C ATOM 772 C ASP A 62 26.141 1.523 18.114 1.00 23.21 C ATOM 773 O ASP A 62 26.772 1.024 19.046 1.00 21.51 O ATOM 774 CB ASP A 62 26.018 4.017 17.953 1.00 23.44 C ATOM 775 CG ASP A 62 26.732 5.282 17.519 1.00 60.55 C ATOM 776 OD1 ASP A 62 27.974 5.248 17.394 1.00 51.45 O ATOM 777 OD2 ASP A 62 26.049 6.305 17.304 1.00 72.10 O ATOM 0 H ASP A 62 25.826 3.402 15.575 1.00 63.30 H new ATOM 0 HA ASP A 62 27.745 2.809 17.535 1.00 44.44 H new ATOM 0 HB2 ASP A 62 24.977 4.063 17.633 1.00 23.44 H new ATOM 0 HB3 ASP A 62 26.014 3.961 19.042 1.00 23.44 H new ATOM 782 N LYS A 63 24.981 1.038 17.685 1.00 20.34 N ATOM 783 CA LYS A 63 24.369 -0.136 18.297 1.00 13.54 C ATOM 784 C LYS A 63 25.315 -1.331 18.249 1.00 0.10 C ATOM 785 O LYS A 63 25.317 -2.171 19.150 1.00 4.31 O ATOM 786 CB LYS A 63 23.057 -0.481 17.588 1.00 44.32 C ATOM 787 CG LYS A 63 22.470 -1.816 18.011 1.00 63.25 C ATOM 788 CD LYS A 63 22.424 -2.797 16.851 1.00 51.01 C ATOM 789 CE LYS A 63 23.597 -3.765 16.892 1.00 14.31 C ATOM 790 NZ LYS A 63 23.602 -4.577 18.140 1.00 74.41 N ATOM 0 H LYS A 63 24.445 1.440 16.916 1.00 20.34 H new ATOM 0 HA LYS A 63 24.160 0.097 19.341 1.00 13.54 H new ATOM 0 HB2 LYS A 63 22.329 0.306 17.786 1.00 44.32 H new ATOM 0 HB3 LYS A 63 23.228 -0.493 16.512 1.00 44.32 H new ATOM 0 HG2 LYS A 63 23.066 -2.236 18.821 1.00 63.25 H new ATOM 0 HG3 LYS A 63 21.464 -1.665 18.401 1.00 63.25 H new ATOM 0 HD2 LYS A 63 21.489 -3.356 16.883 1.00 51.01 H new ATOM 0 HD3 LYS A 63 22.436 -2.249 15.909 1.00 51.01 H new ATOM 0 HE2 LYS A 63 23.552 -4.428 16.028 1.00 14.31 H new ATOM 0 HE3 LYS A 63 24.531 -3.208 16.818 1.00 14.31 H new ATOM 0 HZ1 LYS A 63 24.571 -4.635 18.512 1.00 74.41 H new ATOM 0 HZ2 LYS A 63 22.986 -4.129 18.848 1.00 74.41 H new ATOM 0 HZ3 LYS A 63 23.252 -5.534 17.933 1.00 74.41 H new ATOM 804 N LEU A 64 26.118 -1.401 17.193 1.00 25.05 N ATOM 805 CA LEU A 64 27.071 -2.493 17.029 1.00 64.34 C ATOM 806 C LEU A 64 27.913 -2.676 18.287 1.00 23.23 C ATOM 807 O LEU A 64 28.295 -3.793 18.634 1.00 60.25 O ATOM 808 CB LEU A 64 27.980 -2.226 15.828 1.00 64.24 C ATOM 809 CG LEU A 64 27.278 -2.038 14.483 1.00 53.23 C ATOM 810 CD1 LEU A 64 28.162 -2.526 13.346 1.00 74.44 C ATOM 811 CD2 LEU A 64 25.941 -2.766 14.473 1.00 44.34 C ATOM 0 H LEU A 64 26.128 -0.715 16.438 1.00 25.05 H new ATOM 0 HA LEU A 64 26.508 -3.410 16.855 1.00 64.34 H new ATOM 0 HB2 LEU A 64 28.569 -1.333 16.035 1.00 64.24 H new ATOM 0 HB3 LEU A 64 28.681 -3.056 15.737 1.00 64.24 H new ATOM 0 HG LEU A 64 27.091 -0.974 14.338 1.00 53.23 H new ATOM 0 HD11 LEU A 64 27.645 -2.384 12.397 1.00 74.44 H new ATOM 0 HD12 LEU A 64 29.093 -1.960 13.340 1.00 74.44 H new ATOM 0 HD13 LEU A 64 28.382 -3.585 13.485 1.00 74.44 H new ATOM 0 HD21 LEU A 64 25.455 -2.621 13.508 1.00 44.34 H new ATOM 0 HD22 LEU A 64 26.105 -3.830 14.641 1.00 44.34 H new ATOM 0 HD23 LEU A 64 25.304 -2.368 15.263 1.00 44.34 H new ATOM 823 N ASN A 65 28.197 -1.571 18.969 1.00 60.00 N ATOM 824 CA ASN A 65 28.992 -1.610 20.191 1.00 43.32 C ATOM 825 C ASN A 65 28.391 -2.583 21.201 1.00 41.53 C ATOM 826 O ASN A 65 29.113 -3.239 21.951 1.00 20.22 O ATOM 827 CB ASN A 65 29.088 -0.212 20.806 1.00 33.35 C ATOM 828 CG ASN A 65 30.045 0.689 20.050 1.00 72.30 C ATOM 829 OD1 ASN A 65 31.263 0.575 20.189 1.00 73.13 O ATOM 830 ND2 ASN A 65 29.496 1.591 19.244 1.00 22.44 N ATOM 0 H ASN A 65 27.888 -0.638 18.696 1.00 60.00 H new ATOM 0 HA ASN A 65 29.993 -1.956 19.933 1.00 43.32 H new ATOM 0 HB2 ASN A 65 28.098 0.244 20.820 1.00 33.35 H new ATOM 0 HB3 ASN A 65 29.415 -0.296 21.842 1.00 33.35 H new ATOM 0 HD21 ASN A 65 30.089 2.225 18.709 1.00 22.44 H new ATOM 0 HD22 ASN A 65 28.481 1.649 19.160 1.00 22.44 H new ATOM 837 N ASP A 66 27.066 -2.670 21.213 1.00 54.23 N ATOM 838 CA ASP A 66 26.366 -3.563 22.129 1.00 65.52 C ATOM 839 C ASP A 66 26.765 -5.015 21.882 1.00 24.12 C ATOM 840 O ASP A 66 27.158 -5.727 22.807 1.00 70.23 O ATOM 841 CB ASP A 66 24.853 -3.404 21.975 1.00 61.21 C ATOM 842 CG ASP A 66 24.170 -3.070 23.286 1.00 32.44 C ATOM 843 OD1 ASP A 66 24.307 -3.860 24.245 1.00 55.51 O ATOM 844 OD2 ASP A 66 23.499 -2.020 23.355 1.00 51.54 O ATOM 0 H ASP A 66 26.454 -2.133 20.598 1.00 54.23 H new ATOM 0 HA ASP A 66 26.649 -3.294 23.147 1.00 65.52 H new ATOM 0 HB2 ASP A 66 24.645 -2.617 21.250 1.00 61.21 H new ATOM 0 HB3 ASP A 66 24.433 -4.326 21.574 1.00 61.21 H new ATOM 849 N TYR A 67 26.661 -5.447 20.630 1.00 21.25 N ATOM 850 CA TYR A 67 27.008 -6.815 20.263 1.00 55.02 C ATOM 851 C TYR A 67 28.520 -7.015 20.273 1.00 71.42 C ATOM 852 O TYR A 67 29.010 -8.118 20.520 1.00 50.44 O ATOM 853 CB TYR A 67 26.446 -7.151 18.880 1.00 24.31 C ATOM 854 CG TYR A 67 27.499 -7.204 17.796 1.00 60.11 C ATOM 855 CD1 TYR A 67 28.223 -8.366 17.559 1.00 72.03 C ATOM 856 CD2 TYR A 67 27.769 -6.092 17.008 1.00 11.20 C ATOM 857 CE1 TYR A 67 29.186 -8.418 16.570 1.00 72.23 C ATOM 858 CE2 TYR A 67 28.729 -6.135 16.016 1.00 62.42 C ATOM 859 CZ TYR A 67 29.435 -7.301 15.801 1.00 42.42 C ATOM 860 OH TYR A 67 30.393 -7.349 14.814 1.00 72.03 O ATOM 0 H TYR A 67 26.339 -4.870 19.853 1.00 21.25 H new ATOM 0 HA TYR A 67 26.567 -7.486 21.000 1.00 55.02 H new ATOM 0 HB2 TYR A 67 25.937 -8.114 18.928 1.00 24.31 H new ATOM 0 HB3 TYR A 67 25.696 -6.407 18.611 1.00 24.31 H new ATOM 0 HD1 TYR A 67 28.030 -9.243 18.158 1.00 72.03 H new ATOM 0 HD2 TYR A 67 27.218 -5.178 17.174 1.00 11.20 H new ATOM 0 HE1 TYR A 67 29.741 -9.329 16.400 1.00 72.23 H new ATOM 0 HE2 TYR A 67 28.926 -5.261 15.412 1.00 62.42 H new ATOM 0 HH TYR A 67 30.997 -6.582 14.906 1.00 72.03 H new ATOM 870 N TYR A 68 29.254 -5.942 20.003 1.00 11.42 N ATOM 871 CA TYR A 68 30.711 -5.998 19.979 1.00 73.01 C ATOM 872 C TYR A 68 31.250 -6.683 21.231 1.00 62.23 C ATOM 873 O TYR A 68 32.220 -7.438 21.169 1.00 21.24 O ATOM 874 CB TYR A 68 31.295 -4.589 19.863 1.00 33.04 C ATOM 875 CG TYR A 68 31.864 -4.280 18.497 1.00 13.42 C ATOM 876 CD1 TYR A 68 33.039 -4.877 18.061 1.00 64.44 C ATOM 877 CD2 TYR A 68 31.225 -3.390 17.642 1.00 13.33 C ATOM 878 CE1 TYR A 68 33.563 -4.597 16.814 1.00 41.15 C ATOM 879 CE2 TYR A 68 31.740 -3.104 16.393 1.00 64.32 C ATOM 880 CZ TYR A 68 32.910 -3.710 15.983 1.00 10.03 C ATOM 881 OH TYR A 68 33.428 -3.429 14.740 1.00 73.04 O ATOM 0 H TYR A 68 28.864 -5.022 19.797 1.00 11.42 H new ATOM 0 HA TYR A 68 31.013 -6.581 19.109 1.00 73.01 H new ATOM 0 HB2 TYR A 68 30.517 -3.862 20.096 1.00 33.04 H new ATOM 0 HB3 TYR A 68 32.079 -4.467 20.610 1.00 33.04 H new ATOM 0 HD1 TYR A 68 33.552 -5.573 18.708 1.00 64.44 H new ATOM 0 HD2 TYR A 68 30.309 -2.914 17.960 1.00 13.33 H new ATOM 0 HE1 TYR A 68 34.479 -5.070 16.491 1.00 41.15 H new ATOM 0 HE2 TYR A 68 31.230 -2.410 15.741 1.00 64.32 H new ATOM 0 HH TYR A 68 32.847 -2.787 14.281 1.00 73.04 H new ATOM 891 N ALA A 69 30.613 -6.414 22.366 1.00 64.13 N ATOM 892 CA ALA A 69 31.026 -7.006 23.632 1.00 3.32 C ATOM 893 C ALA A 69 31.096 -8.526 23.531 1.00 1.32 C ATOM 894 O ALA A 69 31.911 -9.166 24.198 1.00 54.24 O ATOM 895 CB ALA A 69 30.073 -6.592 24.744 1.00 42.13 C ATOM 0 H ALA A 69 29.809 -5.790 22.434 1.00 64.13 H new ATOM 0 HA ALA A 69 32.024 -6.638 23.868 1.00 3.32 H new ATOM 0 HB1 ALA A 69 30.393 -7.041 25.684 1.00 42.13 H new ATOM 0 HB2 ALA A 69 30.077 -5.506 24.841 1.00 42.13 H new ATOM 0 HB3 ALA A 69 29.065 -6.931 24.505 1.00 42.13 H new ATOM 901 N LEU A 70 30.237 -9.098 22.695 1.00 63.30 N ATOM 902 CA LEU A 70 30.201 -10.545 22.507 1.00 10.51 C ATOM 903 C LEU A 70 31.528 -11.055 21.955 1.00 72.34 C ATOM 904 O LEU A 70 31.818 -12.251 22.012 1.00 52.54 O ATOM 905 CB LEU A 70 29.061 -10.927 21.562 1.00 33.41 C ATOM 906 CG LEU A 70 28.813 -12.425 21.382 1.00 73.43 C ATOM 907 CD1 LEU A 70 27.333 -12.743 21.528 1.00 54.14 C ATOM 908 CD2 LEU A 70 29.329 -12.892 20.029 1.00 64.34 C ATOM 0 H LEU A 70 29.556 -8.583 22.137 1.00 63.30 H new ATOM 0 HA LEU A 70 30.031 -11.010 23.478 1.00 10.51 H new ATOM 0 HB2 LEU A 70 28.143 -10.468 21.929 1.00 33.41 H new ATOM 0 HB3 LEU A 70 29.266 -10.493 20.583 1.00 33.41 H new ATOM 0 HG LEU A 70 29.357 -12.960 22.161 1.00 73.43 H new ATOM 0 HD11 LEU A 70 27.176 -13.814 21.397 1.00 54.14 H new ATOM 0 HD12 LEU A 70 26.993 -12.445 22.520 1.00 54.14 H new ATOM 0 HD13 LEU A 70 26.767 -12.198 20.772 1.00 54.14 H new ATOM 0 HD21 LEU A 70 29.144 -13.960 19.918 1.00 64.34 H new ATOM 0 HD22 LEU A 70 28.813 -12.350 19.236 1.00 64.34 H new ATOM 0 HD23 LEU A 70 30.400 -12.700 19.962 1.00 64.34 H new ATOM 920 N LYS A 71 32.332 -10.142 21.421 1.00 13.44 N ATOM 921 CA LYS A 71 33.630 -10.497 20.861 1.00 21.54 C ATOM 922 C LYS A 71 34.412 -11.386 21.823 1.00 23.21 C ATOM 923 O LYS A 71 35.184 -12.247 21.400 1.00 62.41 O ATOM 924 CB LYS A 71 34.436 -9.235 20.547 1.00 60.23 C ATOM 925 CG LYS A 71 34.910 -8.492 21.784 1.00 51.13 C ATOM 926 CD LYS A 71 35.865 -7.365 21.426 1.00 74.33 C ATOM 927 CE LYS A 71 35.215 -6.363 20.484 1.00 44.31 C ATOM 928 NZ LYS A 71 35.897 -6.323 19.160 1.00 31.15 N ATOM 0 H LYS A 71 32.107 -9.149 21.364 1.00 13.44 H new ATOM 0 HA LYS A 71 33.460 -11.051 19.938 1.00 21.54 H new ATOM 0 HB2 LYS A 71 35.302 -9.508 19.943 1.00 60.23 H new ATOM 0 HB3 LYS A 71 33.825 -8.565 19.943 1.00 60.23 H new ATOM 0 HG2 LYS A 71 34.050 -8.086 22.317 1.00 51.13 H new ATOM 0 HG3 LYS A 71 35.405 -9.189 22.461 1.00 51.13 H new ATOM 0 HD2 LYS A 71 36.186 -6.856 22.335 1.00 74.33 H new ATOM 0 HD3 LYS A 71 36.759 -7.778 20.959 1.00 74.33 H new ATOM 0 HE2 LYS A 71 34.166 -6.624 20.344 1.00 44.31 H new ATOM 0 HE3 LYS A 71 35.240 -5.371 20.935 1.00 44.31 H new ATOM 0 HZ1 LYS A 71 35.435 -5.616 18.553 1.00 31.15 H new ATOM 0 HZ2 LYS A 71 36.896 -6.066 19.292 1.00 31.15 H new ATOM 0 HZ3 LYS A 71 35.836 -7.259 18.710 1.00 31.15 H new ATOM 942 N HIS A 72 34.207 -11.173 23.119 1.00 51.20 N ATOM 943 CA HIS A 72 34.892 -11.957 24.141 1.00 52.52 C ATOM 944 C HIS A 72 34.734 -13.451 23.876 1.00 43.21 C ATOM 945 O HIS A 72 35.667 -14.229 24.077 1.00 34.11 O ATOM 946 CB HIS A 72 34.348 -11.612 25.528 1.00 75.44 C ATOM 947 CG HIS A 72 35.336 -10.902 26.400 1.00 43.12 C ATOM 948 ND1 HIS A 72 34.982 -9.899 27.277 1.00 14.20 N ATOM 949 CD2 HIS A 72 36.675 -11.055 26.528 1.00 70.54 C ATOM 950 CE1 HIS A 72 36.060 -9.465 27.905 1.00 33.04 C ATOM 951 NE2 HIS A 72 37.101 -10.151 27.469 1.00 14.00 N ATOM 0 H HIS A 72 33.572 -10.464 23.486 1.00 51.20 H new ATOM 0 HA HIS A 72 35.953 -11.710 24.104 1.00 52.52 H new ATOM 0 HB2 HIS A 72 33.461 -10.989 25.416 1.00 75.44 H new ATOM 0 HB3 HIS A 72 34.032 -12.530 26.024 1.00 75.44 H new ATOM 0 HD2 HIS A 72 37.293 -11.758 25.990 1.00 70.54 H new ATOM 0 HE1 HIS A 72 36.086 -8.682 28.649 1.00 33.04 H new ATOM 0 HE2 HIS A 72 38.064 -10.029 27.781 1.00 14.00 H new ATOM 959 N VAL A 73 33.548 -13.845 23.424 1.00 11.00 N ATOM 960 CA VAL A 73 33.268 -15.246 23.131 1.00 2.43 C ATOM 961 C VAL A 73 33.362 -15.524 21.635 1.00 10.32 C ATOM 962 O VAL A 73 32.482 -15.161 20.855 1.00 53.23 O ATOM 963 CB VAL A 73 31.870 -15.655 23.632 1.00 64.32 C ATOM 964 CG1 VAL A 73 31.576 -17.103 23.269 1.00 2.11 C ATOM 965 CG2 VAL A 73 31.758 -15.440 25.134 1.00 65.14 C ATOM 0 H VAL A 73 32.765 -13.214 23.253 1.00 11.00 H new ATOM 0 HA VAL A 73 34.020 -15.836 23.655 1.00 2.43 H new ATOM 0 HB VAL A 73 31.128 -15.024 23.142 1.00 64.32 H new ATOM 0 HG11 VAL A 73 30.584 -17.375 23.631 1.00 2.11 H new ATOM 0 HG12 VAL A 73 31.612 -17.221 22.186 1.00 2.11 H new ATOM 0 HG13 VAL A 73 32.321 -17.752 23.730 1.00 2.11 H new ATOM 0 HG21 VAL A 73 30.764 -15.734 25.471 1.00 65.14 H new ATOM 0 HG22 VAL A 73 32.508 -16.044 25.645 1.00 65.14 H new ATOM 0 HG23 VAL A 73 31.922 -14.387 25.364 1.00 65.14 H new ATOM 975 N PRO A 74 34.455 -16.184 21.224 1.00 55.05 N ATOM 976 CA PRO A 74 34.689 -16.527 19.818 1.00 44.12 C ATOM 977 C PRO A 74 33.731 -17.601 19.315 1.00 30.12 C ATOM 978 O PRO A 74 33.401 -17.648 18.130 1.00 71.30 O ATOM 979 CB PRO A 74 36.128 -17.050 19.816 1.00 72.31 C ATOM 980 CG PRO A 74 36.353 -17.545 21.203 1.00 11.42 C ATOM 981 CD PRO A 74 35.544 -16.647 22.099 1.00 64.12 C ATOM 0 HA PRO A 74 34.529 -15.674 19.159 1.00 44.12 H new ATOM 0 HB2 PRO A 74 36.258 -17.848 19.085 1.00 72.31 H new ATOM 0 HB3 PRO A 74 36.835 -16.262 19.557 1.00 72.31 H new ATOM 0 HG2 PRO A 74 36.037 -18.583 21.303 1.00 11.42 H new ATOM 0 HG3 PRO A 74 37.411 -17.507 21.464 1.00 11.42 H new ATOM 0 HD2 PRO A 74 35.161 -17.184 22.967 1.00 64.12 H new ATOM 0 HD3 PRO A 74 36.138 -15.815 22.476 1.00 64.12 H new ATOM 989 N LYS A 75 33.286 -18.463 20.224 1.00 43.33 N ATOM 990 CA LYS A 75 32.364 -19.536 19.874 1.00 72.33 C ATOM 991 C LYS A 75 31.143 -18.988 19.141 1.00 3.34 C ATOM 992 O LYS A 75 30.554 -19.667 18.300 1.00 20.23 O ATOM 993 CB LYS A 75 31.922 -20.287 21.132 1.00 60.22 C ATOM 994 CG LYS A 75 33.064 -20.971 21.865 1.00 55.44 C ATOM 995 CD LYS A 75 33.795 -21.953 20.965 1.00 34.22 C ATOM 996 CE LYS A 75 35.073 -21.350 20.404 1.00 41.12 C ATOM 997 NZ LYS A 75 35.243 -21.658 18.957 1.00 51.12 N ATOM 0 H LYS A 75 33.550 -18.439 21.209 1.00 43.33 H new ATOM 0 HA LYS A 75 32.885 -20.226 19.210 1.00 72.33 H new ATOM 0 HB2 LYS A 75 31.434 -19.587 21.810 1.00 60.22 H new ATOM 0 HB3 LYS A 75 31.179 -21.035 20.856 1.00 60.22 H new ATOM 0 HG2 LYS A 75 33.764 -20.220 22.231 1.00 55.44 H new ATOM 0 HG3 LYS A 75 32.675 -21.496 22.738 1.00 55.44 H new ATOM 0 HD2 LYS A 75 34.034 -22.855 21.528 1.00 34.22 H new ATOM 0 HD3 LYS A 75 33.142 -22.252 20.145 1.00 34.22 H new ATOM 0 HE2 LYS A 75 35.057 -20.269 20.546 1.00 41.12 H new ATOM 0 HE3 LYS A 75 35.929 -21.732 20.960 1.00 41.12 H new ATOM 0 HZ1 LYS A 75 36.254 -21.639 18.714 1.00 51.12 H new ATOM 0 HZ2 LYS A 75 34.856 -22.602 18.755 1.00 51.12 H new ATOM 0 HZ3 LYS A 75 34.737 -20.948 18.389 1.00 51.12 H new ATOM 1011 N CYS A 76 30.770 -17.754 19.465 1.00 34.42 N ATOM 1012 CA CYS A 76 29.620 -17.114 18.838 1.00 41.42 C ATOM 1013 C CYS A 76 30.054 -15.906 18.012 1.00 62.34 C ATOM 1014 O CYS A 76 29.483 -15.624 16.958 1.00 32.43 O ATOM 1015 CB CYS A 76 28.608 -16.681 19.901 1.00 41.15 C ATOM 1016 SG CYS A 76 26.872 -16.987 19.442 1.00 32.00 S ATOM 0 H CYS A 76 31.248 -17.178 20.158 1.00 34.42 H new ATOM 0 HA CYS A 76 29.150 -17.838 18.173 1.00 41.42 H new ATOM 0 HB2 CYS A 76 28.825 -17.208 20.830 1.00 41.15 H new ATOM 0 HB3 CYS A 76 28.738 -15.617 20.100 1.00 41.15 H new ATOM 1021 N TRP A 77 31.067 -15.198 18.497 1.00 65.21 N ATOM 1022 CA TRP A 77 31.579 -14.021 17.803 1.00 34.24 C ATOM 1023 C TRP A 77 31.944 -14.355 16.361 1.00 32.12 C ATOM 1024 O TRP A 77 31.502 -13.685 15.428 1.00 11.05 O ATOM 1025 CB TRP A 77 32.800 -13.463 18.536 1.00 52.34 C ATOM 1026 CG TRP A 77 33.752 -12.737 17.634 1.00 2.13 C ATOM 1027 CD1 TRP A 77 35.078 -13.010 17.453 1.00 50.33 C ATOM 1028 CD2 TRP A 77 33.452 -11.617 16.794 1.00 61.43 C ATOM 1029 NE1 TRP A 77 35.620 -12.127 16.550 1.00 62.23 N ATOM 1030 CE2 TRP A 77 34.643 -11.264 16.130 1.00 2.30 C ATOM 1031 CE3 TRP A 77 32.293 -10.881 16.535 1.00 0.13 C ATOM 1032 CZ2 TRP A 77 34.706 -10.206 15.227 1.00 11.53 C ATOM 1033 CZ3 TRP A 77 32.357 -9.831 15.639 1.00 0.23 C ATOM 1034 CH2 TRP A 77 33.556 -9.501 14.993 1.00 21.54 C ATOM 0 H TRP A 77 31.551 -15.418 19.368 1.00 65.21 H new ATOM 0 HA TRP A 77 30.794 -13.265 17.793 1.00 34.24 H new ATOM 0 HB2 TRP A 77 32.465 -12.785 19.321 1.00 52.34 H new ATOM 0 HB3 TRP A 77 33.327 -14.282 19.025 1.00 52.34 H new ATOM 0 HD1 TRP A 77 35.620 -13.803 17.947 1.00 50.33 H new ATOM 0 HE1 TRP A 77 36.592 -12.116 16.242 1.00 62.23 H new ATOM 0 HE3 TRP A 77 31.364 -11.128 17.026 1.00 0.13 H new ATOM 0 HZ2 TRP A 77 35.630 -9.951 14.729 1.00 11.53 H new ATOM 0 HZ3 TRP A 77 31.467 -9.254 15.433 1.00 0.23 H new ATOM 0 HH2 TRP A 77 33.573 -8.675 14.297 1.00 21.54 H new ATOM 1045 N ALA A 78 32.753 -15.395 16.186 1.00 52.24 N ATOM 1046 CA ALA A 78 33.175 -15.818 14.856 1.00 21.23 C ATOM 1047 C ALA A 78 31.996 -16.353 14.050 1.00 23.44 C ATOM 1048 O ALA A 78 32.103 -16.564 12.843 1.00 72.53 O ATOM 1049 CB ALA A 78 34.268 -16.872 14.960 1.00 13.04 C ATOM 0 H ALA A 78 33.129 -15.960 16.948 1.00 52.24 H new ATOM 0 HA ALA A 78 33.573 -14.948 14.334 1.00 21.23 H new ATOM 0 HB1 ALA A 78 34.574 -17.179 13.960 1.00 13.04 H new ATOM 0 HB2 ALA A 78 35.125 -16.456 15.490 1.00 13.04 H new ATOM 0 HB3 ALA A 78 33.889 -17.737 15.505 1.00 13.04 H new ATOM 1055 N ALA A 79 30.873 -16.571 14.727 1.00 63.42 N ATOM 1056 CA ALA A 79 29.674 -17.081 14.073 1.00 43.21 C ATOM 1057 C ALA A 79 28.943 -15.971 13.325 1.00 2.01 C ATOM 1058 O ALA A 79 28.462 -16.174 12.210 1.00 42.21 O ATOM 1059 CB ALA A 79 28.751 -17.729 15.094 1.00 1.10 C ATOM 0 H ALA A 79 30.769 -16.402 15.728 1.00 63.42 H new ATOM 0 HA ALA A 79 29.979 -17.834 13.346 1.00 43.21 H new ATOM 0 HB1 ALA A 79 27.860 -18.105 14.592 1.00 1.10 H new ATOM 0 HB2 ALA A 79 29.269 -18.555 15.580 1.00 1.10 H new ATOM 0 HB3 ALA A 79 28.461 -16.991 15.842 1.00 1.10 H new ATOM 1065 N ILE A 80 28.863 -14.799 13.946 1.00 32.11 N ATOM 1066 CA ILE A 80 28.190 -13.658 13.338 1.00 4.43 C ATOM 1067 C ILE A 80 29.128 -12.901 12.404 1.00 50.14 C ATOM 1068 O ILE A 80 28.799 -11.816 11.925 1.00 45.21 O ATOM 1069 CB ILE A 80 27.654 -12.686 14.406 1.00 1.02 C ATOM 1070 CG1 ILE A 80 26.536 -11.820 13.823 1.00 14.23 C ATOM 1071 CG2 ILE A 80 28.780 -11.815 14.943 1.00 22.44 C ATOM 1072 CD1 ILE A 80 26.076 -10.720 14.754 1.00 0.50 C ATOM 0 H ILE A 80 29.256 -14.615 14.869 1.00 32.11 H new ATOM 0 HA ILE A 80 27.352 -14.054 12.765 1.00 4.43 H new ATOM 0 HB ILE A 80 27.245 -13.267 15.232 1.00 1.02 H new ATOM 0 HG12 ILE A 80 26.881 -11.375 12.890 1.00 14.23 H new ATOM 0 HG13 ILE A 80 25.686 -12.456 13.577 1.00 14.23 H new ATOM 0 HG21 ILE A 80 28.385 -11.134 15.697 1.00 22.44 H new ATOM 0 HG22 ILE A 80 29.547 -12.447 15.391 1.00 22.44 H new ATOM 0 HG23 ILE A 80 29.216 -11.240 14.126 1.00 22.44 H new ATOM 0 HD11 ILE A 80 25.282 -10.146 14.275 1.00 0.50 H new ATOM 0 HD12 ILE A 80 25.700 -11.159 15.678 1.00 0.50 H new ATOM 0 HD13 ILE A 80 26.914 -10.061 14.980 1.00 0.50 H new ATOM 1084 N GLN A 81 30.295 -13.482 12.147 1.00 23.44 N ATOM 1085 CA GLN A 81 31.280 -12.863 11.269 1.00 42.05 C ATOM 1086 C GLN A 81 30.697 -12.624 9.880 1.00 54.11 C ATOM 1087 O GLN A 81 30.656 -11.498 9.382 1.00 34.54 O ATOM 1088 CB GLN A 81 32.528 -13.742 11.166 1.00 72.00 C ATOM 1089 CG GLN A 81 33.813 -13.021 11.541 1.00 74.02 C ATOM 1090 CD GLN A 81 34.994 -13.962 11.667 1.00 65.02 C ATOM 1091 OE1 GLN A 81 35.451 -14.540 10.680 1.00 51.43 O ATOM 1092 NE2 GLN A 81 35.497 -14.121 12.885 1.00 24.34 N ATOM 0 H GLN A 81 30.581 -14.381 12.535 1.00 23.44 H new ATOM 0 HA GLN A 81 31.557 -11.900 11.698 1.00 42.05 H new ATOM 0 HB2 GLN A 81 32.406 -14.610 11.814 1.00 72.00 H new ATOM 0 HB3 GLN A 81 32.616 -14.116 10.146 1.00 72.00 H new ATOM 0 HG2 GLN A 81 34.034 -12.265 10.787 1.00 74.02 H new ATOM 0 HG3 GLN A 81 33.669 -12.497 12.486 1.00 74.02 H new ATOM 0 HE21 GLN A 81 35.087 -13.622 13.675 1.00 24.34 H new ATOM 0 HE22 GLN A 81 36.293 -14.742 13.031 1.00 24.34 H new ATOM 1101 N PRO A 82 30.234 -13.707 9.237 1.00 3.24 N ATOM 1102 CA PRO A 82 29.644 -13.640 7.897 1.00 24.10 C ATOM 1103 C PRO A 82 28.290 -12.939 7.894 1.00 63.12 C ATOM 1104 O PRO A 82 27.924 -12.279 6.921 1.00 32.31 O ATOM 1105 CB PRO A 82 29.486 -15.111 7.506 1.00 72.53 C ATOM 1106 CG PRO A 82 29.388 -15.840 8.802 1.00 51.43 C ATOM 1107 CD PRO A 82 30.251 -15.079 9.770 1.00 23.41 C ATOM 0 HA PRO A 82 30.262 -13.065 7.207 1.00 24.10 H new ATOM 0 HB2 PRO A 82 28.595 -15.265 6.897 1.00 72.53 H new ATOM 0 HB3 PRO A 82 30.337 -15.458 6.920 1.00 72.53 H new ATOM 0 HG2 PRO A 82 28.356 -15.882 9.149 1.00 51.43 H new ATOM 0 HG3 PRO A 82 29.732 -16.869 8.698 1.00 51.43 H new ATOM 0 HD2 PRO A 82 29.852 -15.121 10.783 1.00 23.41 H new ATOM 0 HD3 PRO A 82 31.263 -15.482 9.809 1.00 23.41 H new ATOM 1115 N PHE A 83 27.551 -13.086 8.988 1.00 14.21 N ATOM 1116 CA PHE A 83 26.236 -12.467 9.111 1.00 40.21 C ATOM 1117 C PHE A 83 26.361 -10.997 9.502 1.00 63.21 C ATOM 1118 O PHE A 83 25.402 -10.232 9.399 1.00 12.54 O ATOM 1119 CB PHE A 83 25.393 -13.212 10.148 1.00 52.13 C ATOM 1120 CG PHE A 83 24.023 -12.627 10.339 1.00 51.41 C ATOM 1121 CD1 PHE A 83 23.267 -12.229 9.248 1.00 13.43 C ATOM 1122 CD2 PHE A 83 23.491 -12.474 11.609 1.00 5.04 C ATOM 1123 CE1 PHE A 83 22.005 -11.690 9.421 1.00 44.03 C ATOM 1124 CE2 PHE A 83 22.231 -11.936 11.788 1.00 72.41 C ATOM 1125 CZ PHE A 83 21.487 -11.543 10.692 1.00 4.24 C ATOM 0 H PHE A 83 27.840 -13.628 9.802 1.00 14.21 H new ATOM 0 HA PHE A 83 25.742 -12.526 8.141 1.00 40.21 H new ATOM 0 HB2 PHE A 83 25.295 -14.254 9.844 1.00 52.13 H new ATOM 0 HB3 PHE A 83 25.918 -13.206 11.103 1.00 52.13 H new ATOM 0 HD1 PHE A 83 23.668 -12.341 8.251 1.00 13.43 H new ATOM 0 HD2 PHE A 83 24.068 -12.779 12.469 1.00 5.04 H new ATOM 0 HE1 PHE A 83 21.425 -11.384 8.562 1.00 44.03 H new ATOM 0 HE2 PHE A 83 21.828 -11.823 12.784 1.00 72.41 H new ATOM 0 HZ PHE A 83 20.502 -11.122 10.830 1.00 4.24 H new ATOM 1135 N LEU A 84 27.550 -10.610 9.951 1.00 61.11 N ATOM 1136 CA LEU A 84 27.803 -9.232 10.358 1.00 35.34 C ATOM 1137 C LEU A 84 27.483 -8.262 9.226 1.00 71.14 C ATOM 1138 O LEU A 84 27.249 -7.075 9.457 1.00 25.53 O ATOM 1139 CB LEU A 84 29.260 -9.067 10.791 1.00 4.41 C ATOM 1140 CG LEU A 84 29.488 -8.346 12.120 1.00 23.14 C ATOM 1141 CD1 LEU A 84 29.226 -6.856 11.971 1.00 3.55 C ATOM 1142 CD2 LEU A 84 28.603 -8.939 13.207 1.00 62.10 C ATOM 0 H LEU A 84 28.354 -11.231 10.042 1.00 61.11 H new ATOM 0 HA LEU A 84 27.152 -9.003 11.202 1.00 35.34 H new ATOM 0 HB2 LEU A 84 29.713 -10.056 10.855 1.00 4.41 H new ATOM 0 HB3 LEU A 84 29.791 -8.523 10.010 1.00 4.41 H new ATOM 0 HG LEU A 84 30.529 -8.483 12.412 1.00 23.14 H new ATOM 0 HD11 LEU A 84 29.393 -6.360 12.927 1.00 3.55 H new ATOM 0 HD12 LEU A 84 29.902 -6.441 11.223 1.00 3.55 H new ATOM 0 HD13 LEU A 84 28.195 -6.698 11.656 1.00 3.55 H new ATOM 0 HD21 LEU A 84 28.778 -8.414 14.146 1.00 62.10 H new ATOM 0 HD22 LEU A 84 27.556 -8.833 12.922 1.00 62.10 H new ATOM 0 HD23 LEU A 84 28.840 -9.996 13.333 1.00 62.10 H new ATOM 1154 N CYS A 85 27.472 -8.775 8.000 1.00 40.12 N ATOM 1155 CA CYS A 85 27.179 -7.956 6.830 1.00 3.51 C ATOM 1156 C CYS A 85 25.709 -8.072 6.439 1.00 51.32 C ATOM 1157 O CYS A 85 25.088 -7.094 6.023 1.00 34.20 O ATOM 1158 CB CYS A 85 28.066 -8.372 5.655 1.00 74.23 C ATOM 1159 SG CYS A 85 29.777 -8.783 6.123 1.00 23.44 S ATOM 0 H CYS A 85 27.663 -9.755 7.791 1.00 40.12 H new ATOM 0 HA CYS A 85 27.388 -6.917 7.083 1.00 3.51 H new ATOM 0 HB2 CYS A 85 27.618 -9.236 5.164 1.00 74.23 H new ATOM 0 HB3 CYS A 85 28.085 -7.564 4.924 1.00 74.23 H new ATOM 1164 N ALA A 86 25.159 -9.274 6.576 1.00 41.14 N ATOM 1165 CA ALA A 86 23.762 -9.518 6.239 1.00 1.20 C ATOM 1166 C ALA A 86 22.849 -9.197 7.418 1.00 63.03 C ATOM 1167 O ALA A 86 21.642 -9.434 7.364 1.00 65.21 O ATOM 1168 CB ALA A 86 23.570 -10.961 5.798 1.00 72.23 C ATOM 0 H ALA A 86 25.660 -10.094 6.918 1.00 41.14 H new ATOM 0 HA ALA A 86 23.492 -8.859 5.414 1.00 1.20 H new ATOM 0 HB1 ALA A 86 22.522 -11.129 5.549 1.00 72.23 H new ATOM 0 HB2 ALA A 86 24.187 -11.159 4.922 1.00 72.23 H new ATOM 0 HB3 ALA A 86 23.863 -11.631 6.607 1.00 72.23 H new ATOM 1174 N VAL A 87 23.433 -8.657 8.483 1.00 43.24 N ATOM 1175 CA VAL A 87 22.672 -8.303 9.675 1.00 42.02 C ATOM 1176 C VAL A 87 22.542 -6.791 9.815 1.00 51.51 C ATOM 1177 O VAL A 87 21.504 -6.283 10.239 1.00 13.43 O ATOM 1178 CB VAL A 87 23.327 -8.871 10.948 1.00 42.11 C ATOM 1179 CG1 VAL A 87 24.659 -8.187 11.214 1.00 4.40 C ATOM 1180 CG2 VAL A 87 22.394 -8.720 12.140 1.00 73.35 C ATOM 0 H VAL A 87 24.431 -8.455 8.544 1.00 43.24 H new ATOM 0 HA VAL A 87 21.680 -8.741 9.559 1.00 42.02 H new ATOM 0 HB VAL A 87 23.515 -9.934 10.795 1.00 42.11 H new ATOM 0 HG11 VAL A 87 25.107 -8.601 12.117 1.00 4.40 H new ATOM 0 HG12 VAL A 87 25.328 -8.352 10.369 1.00 4.40 H new ATOM 0 HG13 VAL A 87 24.499 -7.117 11.347 1.00 4.40 H new ATOM 0 HG21 VAL A 87 22.873 -9.127 13.031 1.00 73.35 H new ATOM 0 HG22 VAL A 87 22.172 -7.664 12.297 1.00 73.35 H new ATOM 0 HG23 VAL A 87 21.467 -9.261 11.948 1.00 73.35 H new ATOM 1190 N PHE A 88 23.602 -6.075 9.455 1.00 43.00 N ATOM 1191 CA PHE A 88 23.607 -4.619 9.541 1.00 62.22 C ATOM 1192 C PHE A 88 23.634 -3.993 8.150 1.00 54.52 C ATOM 1193 O PHE A 88 23.126 -2.890 7.943 1.00 42.01 O ATOM 1194 CB PHE A 88 24.813 -4.139 10.352 1.00 74.12 C ATOM 1195 CG PHE A 88 24.959 -4.832 11.676 1.00 35.22 C ATOM 1196 CD1 PHE A 88 23.870 -4.977 12.521 1.00 10.11 C ATOM 1197 CD2 PHE A 88 26.185 -5.339 12.077 1.00 54.34 C ATOM 1198 CE1 PHE A 88 24.001 -5.615 13.740 1.00 13.44 C ATOM 1199 CE2 PHE A 88 26.321 -5.978 13.294 1.00 2.44 C ATOM 1200 CZ PHE A 88 25.228 -6.115 14.128 1.00 44.41 C ATOM 0 H PHE A 88 24.469 -6.479 9.101 1.00 43.00 H new ATOM 0 HA PHE A 88 22.692 -4.306 10.044 1.00 62.22 H new ATOM 0 HB2 PHE A 88 25.719 -4.295 9.767 1.00 74.12 H new ATOM 0 HB3 PHE A 88 24.724 -3.066 10.521 1.00 74.12 H new ATOM 0 HD1 PHE A 88 22.908 -4.587 12.223 1.00 10.11 H new ATOM 0 HD2 PHE A 88 27.044 -5.233 11.431 1.00 54.34 H new ATOM 0 HE1 PHE A 88 23.144 -5.722 14.389 1.00 13.44 H new ATOM 0 HE2 PHE A 88 27.282 -6.370 13.594 1.00 2.44 H new ATOM 0 HZ PHE A 88 25.333 -6.612 15.081 1.00 44.41 H new ATOM 1210 N LYS A 89 24.230 -4.703 7.198 1.00 35.34 N ATOM 1211 CA LYS A 89 24.323 -4.220 5.826 1.00 10.51 C ATOM 1212 C LYS A 89 23.458 -5.061 4.893 1.00 44.24 C ATOM 1213 O LYS A 89 23.949 -5.917 4.156 1.00 1.13 O ATOM 1214 CB LYS A 89 25.778 -4.245 5.352 1.00 31.25 C ATOM 1215 CG LYS A 89 26.780 -3.924 6.448 1.00 50.12 C ATOM 1216 CD LYS A 89 26.567 -2.527 7.005 1.00 5.55 C ATOM 1217 CE LYS A 89 27.363 -2.310 8.284 1.00 54.32 C ATOM 1218 NZ LYS A 89 28.783 -2.730 8.132 1.00 41.05 N ATOM 0 H LYS A 89 24.656 -5.617 7.352 1.00 35.34 H new ATOM 0 HA LYS A 89 23.958 -3.193 5.803 1.00 10.51 H new ATOM 0 HB2 LYS A 89 26.002 -5.231 4.944 1.00 31.25 H new ATOM 0 HB3 LYS A 89 25.899 -3.529 4.539 1.00 31.25 H new ATOM 0 HG2 LYS A 89 26.689 -4.655 7.251 1.00 50.12 H new ATOM 0 HG3 LYS A 89 27.792 -4.009 6.053 1.00 50.12 H new ATOM 0 HD2 LYS A 89 26.864 -1.788 6.261 1.00 5.55 H new ATOM 0 HD3 LYS A 89 25.507 -2.371 7.204 1.00 5.55 H new ATOM 0 HE2 LYS A 89 27.324 -1.257 8.562 1.00 54.32 H new ATOM 0 HE3 LYS A 89 26.903 -2.872 9.097 1.00 54.32 H new ATOM 0 HZ1 LYS A 89 29.378 -2.185 8.787 1.00 41.05 H new ATOM 0 HZ2 LYS A 89 28.870 -3.744 8.347 1.00 41.05 H new ATOM 0 HZ3 LYS A 89 29.094 -2.555 7.155 1.00 41.05 H new ATOM 1232 N PRO A 90 22.141 -4.812 4.921 1.00 74.41 N ATOM 1233 CA PRO A 90 21.181 -5.535 4.081 1.00 34.55 C ATOM 1234 C PRO A 90 21.316 -5.177 2.606 1.00 51.14 C ATOM 1235 O PRO A 90 21.453 -4.006 2.250 1.00 22.13 O ATOM 1236 CB PRO A 90 19.823 -5.078 4.621 1.00 60.03 C ATOM 1237 CG PRO A 90 20.087 -3.743 5.228 1.00 73.41 C ATOM 1238 CD PRO A 90 21.486 -3.806 5.774 1.00 23.30 C ATOM 0 HA PRO A 90 21.332 -6.614 4.126 1.00 34.55 H new ATOM 0 HB2 PRO A 90 19.082 -5.011 3.824 1.00 60.03 H new ATOM 0 HB3 PRO A 90 19.434 -5.779 5.360 1.00 60.03 H new ATOM 0 HG2 PRO A 90 19.993 -2.951 4.485 1.00 73.41 H new ATOM 0 HG3 PRO A 90 19.369 -3.525 6.019 1.00 73.41 H new ATOM 0 HD2 PRO A 90 21.986 -2.839 5.711 1.00 23.30 H new ATOM 0 HD3 PRO A 90 21.495 -4.102 6.823 1.00 23.30 H new ATOM 1246 N LYS A 91 21.276 -6.192 1.749 1.00 52.21 N ATOM 1247 CA LYS A 91 21.392 -5.984 0.310 1.00 30.43 C ATOM 1248 C LYS A 91 20.141 -5.311 -0.245 1.00 41.21 C ATOM 1249 O LYS A 91 19.164 -5.978 -0.587 1.00 43.12 O ATOM 1250 CB LYS A 91 21.624 -7.319 -0.401 1.00 72.31 C ATOM 1251 CG LYS A 91 21.771 -7.188 -1.907 1.00 72.42 C ATOM 1252 CD LYS A 91 22.549 -8.354 -2.495 1.00 35.01 C ATOM 1253 CE LYS A 91 22.071 -8.691 -3.899 1.00 43.24 C ATOM 1254 NZ LYS A 91 22.763 -9.890 -4.448 1.00 23.04 N ATOM 0 H LYS A 91 21.164 -7.167 2.026 1.00 52.21 H new ATOM 0 HA LYS A 91 22.245 -5.330 0.130 1.00 30.43 H new ATOM 0 HB2 LYS A 91 22.522 -7.786 0.004 1.00 72.31 H new ATOM 0 HB3 LYS A 91 20.791 -7.987 -0.182 1.00 72.31 H new ATOM 0 HG2 LYS A 91 20.784 -7.139 -2.367 1.00 72.42 H new ATOM 0 HG3 LYS A 91 22.280 -6.254 -2.144 1.00 72.42 H new ATOM 0 HD2 LYS A 91 23.611 -8.109 -2.520 1.00 35.01 H new ATOM 0 HD3 LYS A 91 22.439 -9.227 -1.852 1.00 35.01 H new ATOM 0 HE2 LYS A 91 20.996 -8.868 -3.884 1.00 43.24 H new ATOM 0 HE3 LYS A 91 22.245 -7.839 -4.556 1.00 43.24 H new ATOM 0 HZ1 LYS A 91 22.409 -10.087 -5.406 1.00 23.04 H new ATOM 0 HZ2 LYS A 91 23.787 -9.713 -4.487 1.00 23.04 H new ATOM 0 HZ3 LYS A 91 22.577 -10.709 -3.835 1.00 23.04 H new ATOM 1268 N CYS A 92 20.178 -3.985 -0.333 1.00 61.55 N ATOM 1269 CA CYS A 92 19.049 -3.221 -0.848 1.00 75.14 C ATOM 1270 C CYS A 92 19.256 -2.867 -2.318 1.00 41.11 C ATOM 1271 O CYS A 92 20.162 -2.108 -2.661 1.00 54.24 O ATOM 1272 CB CYS A 92 18.853 -1.945 -0.028 1.00 12.14 C ATOM 1273 SG CYS A 92 17.394 -0.966 -0.511 1.00 22.41 S ATOM 0 H CYS A 92 20.979 -3.418 -0.054 1.00 61.55 H new ATOM 0 HA CYS A 92 18.156 -3.840 -0.764 1.00 75.14 H new ATOM 0 HB2 CYS A 92 18.765 -2.213 1.025 1.00 12.14 H new ATOM 0 HB3 CYS A 92 19.743 -1.323 -0.126 1.00 12.14 H new ATOM 1278 N GLU A 93 18.410 -3.422 -3.180 1.00 63.52 N ATOM 1279 CA GLU A 93 18.502 -3.165 -4.613 1.00 31.34 C ATOM 1280 C GLU A 93 17.123 -2.889 -5.205 1.00 40.40 C ATOM 1281 O GLU A 93 16.108 -2.984 -4.515 1.00 75.24 O ATOM 1282 CB GLU A 93 19.146 -4.355 -5.327 1.00 24.22 C ATOM 1283 CG GLU A 93 18.347 -5.642 -5.209 1.00 11.14 C ATOM 1284 CD GLU A 93 18.541 -6.561 -6.399 1.00 2.10 C ATOM 1285 OE1 GLU A 93 17.780 -6.429 -7.380 1.00 53.21 O ATOM 1286 OE2 GLU A 93 19.454 -7.412 -6.350 1.00 14.24 O ATOM 0 H GLU A 93 17.654 -4.052 -2.912 1.00 63.52 H new ATOM 0 HA GLU A 93 19.125 -2.283 -4.759 1.00 31.34 H new ATOM 0 HB2 GLU A 93 19.271 -4.111 -6.382 1.00 24.22 H new ATOM 0 HB3 GLU A 93 20.143 -4.517 -4.917 1.00 24.22 H new ATOM 0 HG2 GLU A 93 18.641 -6.165 -4.299 1.00 11.14 H new ATOM 0 HG3 GLU A 93 17.289 -5.400 -5.110 1.00 11.14 H new ATOM 1293 N LYS A 94 17.095 -2.544 -6.488 1.00 61.50 N ATOM 1294 CA LYS A 94 15.843 -2.254 -7.176 1.00 34.03 C ATOM 1295 C LYS A 94 15.446 -3.406 -8.093 1.00 72.13 C ATOM 1296 O LYS A 94 16.011 -3.574 -9.174 1.00 41.44 O ATOM 1297 CB LYS A 94 15.970 -0.963 -7.987 1.00 11.41 C ATOM 1298 CG LYS A 94 15.087 0.164 -7.479 1.00 40.21 C ATOM 1299 CD LYS A 94 15.096 1.351 -8.428 1.00 24.10 C ATOM 1300 CE LYS A 94 16.495 1.928 -8.584 1.00 52.45 C ATOM 1301 NZ LYS A 94 16.461 3.354 -9.012 1.00 4.51 N ATOM 0 H LYS A 94 17.926 -2.458 -7.073 1.00 61.50 H new ATOM 0 HA LYS A 94 15.065 -2.128 -6.423 1.00 34.03 H new ATOM 0 HB2 LYS A 94 17.009 -0.635 -7.971 1.00 11.41 H new ATOM 0 HB3 LYS A 94 15.717 -1.171 -9.027 1.00 11.41 H new ATOM 0 HG2 LYS A 94 14.066 -0.199 -7.358 1.00 40.21 H new ATOM 0 HG3 LYS A 94 15.431 0.481 -6.495 1.00 40.21 H new ATOM 0 HD2 LYS A 94 14.718 1.042 -9.402 1.00 24.10 H new ATOM 0 HD3 LYS A 94 14.423 2.122 -8.054 1.00 24.10 H new ATOM 0 HE2 LYS A 94 17.030 1.845 -7.638 1.00 52.45 H new ATOM 0 HE3 LYS A 94 17.050 1.342 -9.316 1.00 52.45 H new ATOM 0 HZ1 LYS A 94 17.433 3.711 -9.107 1.00 4.51 H new ATOM 0 HZ2 LYS A 94 15.973 3.430 -9.927 1.00 4.51 H new ATOM 0 HZ3 LYS A 94 15.953 3.918 -8.301 1.00 4.51 H new ATOM 1315 N ILE A 95 14.471 -4.196 -7.656 1.00 11.10 N ATOM 1316 CA ILE A 95 13.998 -5.330 -8.440 1.00 14.02 C ATOM 1317 C ILE A 95 12.896 -4.909 -9.406 1.00 54.20 C ATOM 1318 O ILE A 95 11.864 -4.380 -8.994 1.00 70.12 O ATOM 1319 CB ILE A 95 13.468 -6.458 -7.535 1.00 10.02 C ATOM 1320 CG1 ILE A 95 14.505 -6.815 -6.468 1.00 11.22 C ATOM 1321 CG2 ILE A 95 13.113 -7.682 -8.366 1.00 50.44 C ATOM 1322 CD1 ILE A 95 13.902 -7.406 -5.213 1.00 12.22 C ATOM 0 H ILE A 95 13.993 -4.072 -6.763 1.00 11.10 H new ATOM 0 HA ILE A 95 14.853 -5.700 -9.006 1.00 14.02 H new ATOM 0 HB ILE A 95 12.565 -6.108 -7.035 1.00 10.02 H new ATOM 0 HG12 ILE A 95 15.217 -7.525 -6.888 1.00 11.22 H new ATOM 0 HG13 ILE A 95 15.066 -5.919 -6.204 1.00 11.22 H new ATOM 0 HG21 ILE A 95 12.740 -8.470 -7.712 1.00 50.44 H new ATOM 0 HG22 ILE A 95 12.344 -7.418 -9.092 1.00 50.44 H new ATOM 0 HG23 ILE A 95 14.001 -8.036 -8.891 1.00 50.44 H new ATOM 0 HD11 ILE A 95 14.695 -7.635 -4.501 1.00 12.22 H new ATOM 0 HD12 ILE A 95 13.211 -6.689 -4.769 1.00 12.22 H new ATOM 0 HD13 ILE A 95 13.364 -8.321 -5.463 1.00 12.22 H new ATOM 1334 N ASN A 96 13.121 -5.149 -10.694 1.00 4.04 N ATOM 1335 CA ASN A 96 12.147 -4.796 -11.719 1.00 53.34 C ATOM 1336 C ASN A 96 11.859 -3.298 -11.703 1.00 54.41 C ATOM 1337 O ASN A 96 10.840 -2.845 -12.223 1.00 71.05 O ATOM 1338 CB ASN A 96 10.849 -5.578 -11.510 1.00 72.42 C ATOM 1339 CG ASN A 96 11.073 -6.884 -10.772 1.00 4.21 C ATOM 1340 OD1 ASN A 96 11.797 -7.761 -11.245 1.00 15.22 O ATOM 1341 ND2 ASN A 96 10.452 -7.018 -9.606 1.00 24.32 N ATOM 0 H ASN A 96 13.970 -5.587 -11.052 1.00 4.04 H new ATOM 0 HA ASN A 96 12.568 -5.057 -12.690 1.00 53.34 H new ATOM 0 HB2 ASN A 96 10.144 -4.964 -10.950 1.00 72.42 H new ATOM 0 HB3 ASN A 96 10.393 -5.785 -12.478 1.00 72.42 H new ATOM 0 HD21 ASN A 96 10.565 -7.874 -9.063 1.00 24.32 H new ATOM 0 HD22 ASN A 96 9.862 -6.265 -9.253 1.00 24.32 H new ATOM 1348 N GLY A 97 12.765 -2.533 -11.102 1.00 13.54 N ATOM 1349 CA GLY A 97 12.590 -1.094 -11.029 1.00 42.30 C ATOM 1350 C GLY A 97 11.935 -0.654 -9.735 1.00 52.30 C ATOM 1351 O GLY A 97 11.576 0.513 -9.580 1.00 2.05 O ATOM 0 H GLY A 97 13.617 -2.884 -10.664 1.00 13.54 H new ATOM 0 HA2 GLY A 97 13.561 -0.608 -11.125 1.00 42.30 H new ATOM 0 HA3 GLY A 97 11.983 -0.762 -11.871 1.00 42.30 H new ATOM 1355 N GLU A 98 11.777 -1.590 -8.805 1.00 72.40 N ATOM 1356 CA GLU A 98 11.157 -1.292 -7.519 1.00 63.41 C ATOM 1357 C GLU A 98 12.169 -1.425 -6.384 1.00 51.42 C ATOM 1358 O GLU A 98 12.823 -2.457 -6.239 1.00 24.20 O ATOM 1359 CB GLU A 98 9.971 -2.226 -7.271 1.00 32.12 C ATOM 1360 CG GLU A 98 9.025 -2.337 -8.455 1.00 1.31 C ATOM 1361 CD GLU A 98 7.968 -3.406 -8.259 1.00 60.13 C ATOM 1362 OE1 GLU A 98 8.338 -4.552 -7.926 1.00 43.54 O ATOM 1363 OE2 GLU A 98 6.771 -3.098 -8.439 1.00 64.33 O ATOM 0 H GLU A 98 12.069 -2.561 -8.918 1.00 72.40 H new ATOM 0 HA GLU A 98 10.800 -0.263 -7.546 1.00 63.41 H new ATOM 0 HB2 GLU A 98 10.347 -3.219 -7.023 1.00 32.12 H new ATOM 0 HB3 GLU A 98 9.414 -1.870 -6.404 1.00 32.12 H new ATOM 0 HG2 GLU A 98 8.538 -1.375 -8.618 1.00 1.31 H new ATOM 0 HG3 GLU A 98 9.599 -2.560 -9.354 1.00 1.31 H new ATOM 1370 N ASP A 99 12.291 -0.372 -5.583 1.00 42.13 N ATOM 1371 CA ASP A 99 13.222 -0.369 -4.461 1.00 22.32 C ATOM 1372 C ASP A 99 12.796 -1.379 -3.399 1.00 43.32 C ATOM 1373 O ASP A 99 11.822 -1.163 -2.679 1.00 51.12 O ATOM 1374 CB ASP A 99 13.310 1.029 -3.847 1.00 22.32 C ATOM 1375 CG ASP A 99 13.547 2.105 -4.888 1.00 74.34 C ATOM 1376 OD1 ASP A 99 12.579 2.481 -5.582 1.00 61.44 O ATOM 1377 OD2 ASP A 99 14.699 2.570 -5.010 1.00 42.11 O ATOM 0 H ASP A 99 11.757 0.490 -5.690 1.00 42.13 H new ATOM 0 HA ASP A 99 14.205 -0.655 -4.835 1.00 22.32 H new ATOM 0 HB2 ASP A 99 12.387 1.245 -3.309 1.00 22.32 H new ATOM 0 HB3 ASP A 99 14.118 1.051 -3.116 1.00 22.32 H new ATOM 1382 N MET A 100 13.533 -2.481 -3.309 1.00 73.42 N ATOM 1383 CA MET A 100 13.231 -3.524 -2.335 1.00 72.14 C ATOM 1384 C MET A 100 14.428 -3.782 -1.427 1.00 24.44 C ATOM 1385 O MET A 100 15.479 -3.157 -1.574 1.00 74.01 O ATOM 1386 CB MET A 100 12.829 -4.817 -3.048 1.00 54.43 C ATOM 1387 CG MET A 100 11.770 -4.615 -4.120 1.00 70.14 C ATOM 1388 SD MET A 100 10.260 -5.542 -3.788 1.00 34.01 S ATOM 1389 CE MET A 100 10.529 -7.000 -4.793 1.00 30.03 C ATOM 0 H MET A 100 14.343 -2.675 -3.898 1.00 73.42 H new ATOM 0 HA MET A 100 12.398 -3.182 -1.721 1.00 72.14 H new ATOM 0 HB2 MET A 100 13.714 -5.262 -3.502 1.00 54.43 H new ATOM 0 HB3 MET A 100 12.457 -5.528 -2.311 1.00 54.43 H new ATOM 0 HG2 MET A 100 11.531 -3.554 -4.194 1.00 70.14 H new ATOM 0 HG3 MET A 100 12.174 -4.919 -5.086 1.00 70.14 H new ATOM 0 HE1 MET A 100 9.568 -7.422 -5.087 1.00 30.03 H new ATOM 0 HE2 MET A 100 11.094 -6.728 -5.685 1.00 30.03 H new ATOM 0 HE3 MET A 100 11.089 -7.739 -4.220 1.00 30.03 H new ATOM 1399 N VAL A 101 14.264 -4.707 -0.486 1.00 74.43 N ATOM 1400 CA VAL A 101 15.331 -5.049 0.446 1.00 45.31 C ATOM 1401 C VAL A 101 15.450 -6.559 0.617 1.00 60.04 C ATOM 1402 O VAL A 101 14.453 -7.280 0.568 1.00 1.14 O ATOM 1403 CB VAL A 101 15.100 -4.404 1.825 1.00 12.23 C ATOM 1404 CG1 VAL A 101 14.940 -2.897 1.690 1.00 35.24 C ATOM 1405 CG2 VAL A 101 13.885 -5.019 2.503 1.00 11.13 C ATOM 0 H VAL A 101 13.401 -5.233 -0.349 1.00 74.43 H new ATOM 0 HA VAL A 101 16.257 -4.661 0.022 1.00 45.31 H new ATOM 0 HB VAL A 101 15.973 -4.598 2.449 1.00 12.23 H new ATOM 0 HG11 VAL A 101 14.778 -2.459 2.675 1.00 35.24 H new ATOM 0 HG12 VAL A 101 15.842 -2.473 1.249 1.00 35.24 H new ATOM 0 HG13 VAL A 101 14.085 -2.678 1.050 1.00 35.24 H new ATOM 0 HG21 VAL A 101 13.736 -4.552 3.476 1.00 11.13 H new ATOM 0 HG22 VAL A 101 13.002 -4.857 1.884 1.00 11.13 H new ATOM 0 HG23 VAL A 101 14.045 -6.089 2.635 1.00 11.13 H new ATOM 1415 N TYR A 102 16.675 -7.032 0.817 1.00 42.43 N ATOM 1416 CA TYR A 102 16.925 -8.457 0.993 1.00 60.30 C ATOM 1417 C TYR A 102 17.221 -8.782 2.454 1.00 45.11 C ATOM 1418 O TYR A 102 18.026 -8.110 3.101 1.00 14.30 O ATOM 1419 CB TYR A 102 18.093 -8.904 0.112 1.00 22.44 C ATOM 1420 CG TYR A 102 17.696 -9.200 -1.316 1.00 70.12 C ATOM 1421 CD1 TYR A 102 16.825 -10.241 -1.615 1.00 42.40 C ATOM 1422 CD2 TYR A 102 18.191 -8.438 -2.367 1.00 40.23 C ATOM 1423 CE1 TYR A 102 16.460 -10.515 -2.919 1.00 4.41 C ATOM 1424 CE2 TYR A 102 17.830 -8.704 -3.674 1.00 45.32 C ATOM 1425 CZ TYR A 102 16.965 -9.743 -3.945 1.00 24.31 C ATOM 1426 OH TYR A 102 16.603 -10.012 -5.245 1.00 23.21 O ATOM 0 H TYR A 102 17.511 -6.449 0.861 1.00 42.43 H new ATOM 0 HA TYR A 102 16.026 -8.997 0.695 1.00 60.30 H new ATOM 0 HB2 TYR A 102 18.857 -8.126 0.114 1.00 22.44 H new ATOM 0 HB3 TYR A 102 18.545 -9.796 0.547 1.00 22.44 H new ATOM 0 HD1 TYR A 102 16.427 -10.846 -0.814 1.00 42.40 H new ATOM 0 HD2 TYR A 102 18.869 -7.624 -2.159 1.00 40.23 H new ATOM 0 HE1 TYR A 102 15.783 -11.329 -3.134 1.00 4.41 H new ATOM 0 HE2 TYR A 102 18.223 -8.101 -4.479 1.00 45.32 H new ATOM 0 HH TYR A 102 17.045 -9.376 -5.846 1.00 23.21 H new ATOM 1436 N LEU A 103 16.567 -9.817 2.967 1.00 32.54 N ATOM 1437 CA LEU A 103 16.759 -10.234 4.352 1.00 3.02 C ATOM 1438 C LEU A 103 17.556 -11.533 4.425 1.00 42.55 C ATOM 1439 O LEU A 103 17.632 -12.297 3.463 1.00 64.24 O ATOM 1440 CB LEU A 103 15.407 -10.413 5.044 1.00 11.03 C ATOM 1441 CG LEU A 103 14.295 -11.031 4.196 1.00 63.24 C ATOM 1442 CD1 LEU A 103 14.670 -12.442 3.771 1.00 62.52 C ATOM 1443 CD2 LEU A 103 12.980 -11.034 4.960 1.00 34.23 C ATOM 0 H LEU A 103 15.899 -10.384 2.445 1.00 32.54 H new ATOM 0 HA LEU A 103 17.322 -9.454 4.865 1.00 3.02 H new ATOM 0 HB2 LEU A 103 15.553 -11.036 5.926 1.00 11.03 H new ATOM 0 HB3 LEU A 103 15.069 -9.438 5.395 1.00 11.03 H new ATOM 0 HG LEU A 103 14.169 -10.425 3.299 1.00 63.24 H new ATOM 0 HD11 LEU A 103 13.867 -12.866 3.168 1.00 62.52 H new ATOM 0 HD12 LEU A 103 15.588 -12.413 3.184 1.00 62.52 H new ATOM 0 HD13 LEU A 103 14.824 -13.060 4.656 1.00 62.52 H new ATOM 0 HD21 LEU A 103 12.200 -11.477 4.341 1.00 34.23 H new ATOM 0 HD22 LEU A 103 13.092 -11.616 5.875 1.00 34.23 H new ATOM 0 HD23 LEU A 103 12.704 -10.010 5.213 1.00 34.23 H new ATOM 1455 N PRO A 104 18.163 -11.790 5.592 1.00 22.35 N ATOM 1456 CA PRO A 104 18.963 -12.998 5.819 1.00 11.24 C ATOM 1457 C PRO A 104 18.107 -14.258 5.874 1.00 33.31 C ATOM 1458 O PRO A 104 17.173 -14.352 6.671 1.00 51.24 O ATOM 1459 CB PRO A 104 19.620 -12.738 7.177 1.00 33.15 C ATOM 1460 CG PRO A 104 18.705 -11.784 7.864 1.00 11.05 C ATOM 1461 CD PRO A 104 18.115 -10.923 6.782 1.00 62.23 C ATOM 0 HA PRO A 104 19.675 -13.173 5.012 1.00 11.24 H new ATOM 0 HB2 PRO A 104 19.730 -13.661 7.747 1.00 33.15 H new ATOM 0 HB3 PRO A 104 20.618 -12.315 7.060 1.00 33.15 H new ATOM 0 HG2 PRO A 104 17.925 -12.316 8.409 1.00 11.05 H new ATOM 0 HG3 PRO A 104 19.246 -11.180 8.592 1.00 11.05 H new ATOM 0 HD2 PRO A 104 17.094 -10.622 7.019 1.00 62.23 H new ATOM 0 HD3 PRO A 104 18.691 -10.009 6.637 1.00 62.23 H new ATOM 1469 N SER A 105 18.431 -15.226 5.023 1.00 64.13 N ATOM 1470 CA SER A 105 17.689 -16.480 4.972 1.00 24.41 C ATOM 1471 C SER A 105 17.971 -17.328 6.209 1.00 71.32 C ATOM 1472 O SER A 105 18.837 -16.997 7.019 1.00 41.24 O ATOM 1473 CB SER A 105 18.055 -17.263 3.709 1.00 13.03 C ATOM 1474 OG SER A 105 17.213 -16.906 2.627 1.00 41.34 O ATOM 0 H SER A 105 19.203 -15.166 4.359 1.00 64.13 H new ATOM 0 HA SER A 105 16.625 -16.244 4.949 1.00 24.41 H new ATOM 0 HB2 SER A 105 19.094 -17.068 3.445 1.00 13.03 H new ATOM 0 HB3 SER A 105 17.970 -18.332 3.903 1.00 13.03 H new ATOM 0 HG SER A 105 17.468 -17.418 1.831 1.00 41.34 H new ATOM 1480 N TYR A 106 17.233 -18.424 6.347 1.00 13.14 N ATOM 1481 CA TYR A 106 17.400 -19.319 7.486 1.00 20.20 C ATOM 1482 C TYR A 106 18.862 -19.722 7.652 1.00 60.42 C ATOM 1483 O TYR A 106 19.322 -19.985 8.762 1.00 30.44 O ATOM 1484 CB TYR A 106 16.532 -20.567 7.313 1.00 51.44 C ATOM 1485 CG TYR A 106 17.073 -21.544 6.294 1.00 23.31 C ATOM 1486 CD1 TYR A 106 17.052 -21.247 4.937 1.00 55.21 C ATOM 1487 CD2 TYR A 106 17.606 -22.765 6.688 1.00 35.54 C ATOM 1488 CE1 TYR A 106 17.544 -22.137 4.003 1.00 63.15 C ATOM 1489 CE2 TYR A 106 18.102 -23.661 5.761 1.00 31.23 C ATOM 1490 CZ TYR A 106 18.069 -23.343 4.420 1.00 51.43 C ATOM 1491 OH TYR A 106 18.561 -24.233 3.493 1.00 40.21 O ATOM 0 H TYR A 106 16.514 -18.714 5.685 1.00 13.14 H new ATOM 0 HA TYR A 106 17.084 -18.787 8.383 1.00 20.20 H new ATOM 0 HB2 TYR A 106 16.440 -21.072 8.275 1.00 51.44 H new ATOM 0 HB3 TYR A 106 15.528 -20.263 7.015 1.00 51.44 H new ATOM 0 HD1 TYR A 106 16.644 -20.303 4.607 1.00 55.21 H new ATOM 0 HD2 TYR A 106 17.633 -23.018 7.738 1.00 35.54 H new ATOM 0 HE1 TYR A 106 17.518 -21.891 2.952 1.00 63.15 H new ATOM 0 HE2 TYR A 106 18.513 -24.606 6.085 1.00 31.23 H new ATOM 0 HH TYR A 106 18.895 -25.032 3.952 1.00 40.21 H new ATOM 1501 N GLU A 107 19.587 -19.768 6.538 1.00 14.22 N ATOM 1502 CA GLU A 107 20.997 -20.139 6.560 1.00 54.14 C ATOM 1503 C GLU A 107 21.814 -19.124 7.353 1.00 44.43 C ATOM 1504 O GLU A 107 22.506 -19.478 8.307 1.00 0.30 O ATOM 1505 CB GLU A 107 21.540 -20.246 5.133 1.00 4.14 C ATOM 1506 CG GLU A 107 21.505 -21.658 4.573 1.00 52.33 C ATOM 1507 CD GLU A 107 22.850 -22.106 4.036 1.00 62.31 C ATOM 1508 OE1 GLU A 107 23.876 -21.805 4.682 1.00 61.54 O ATOM 1509 OE2 GLU A 107 22.877 -22.757 2.971 1.00 64.32 O ATOM 0 H GLU A 107 19.221 -19.553 5.610 1.00 14.22 H new ATOM 0 HA GLU A 107 21.084 -21.110 7.048 1.00 54.14 H new ATOM 0 HB2 GLU A 107 20.960 -19.592 4.482 1.00 4.14 H new ATOM 0 HB3 GLU A 107 22.568 -19.883 5.116 1.00 4.14 H new ATOM 0 HG2 GLU A 107 21.182 -22.347 5.354 1.00 52.33 H new ATOM 0 HG3 GLU A 107 20.764 -21.710 3.775 1.00 52.33 H new ATOM 1516 N MET A 108 21.730 -17.860 6.950 1.00 71.15 N ATOM 1517 CA MET A 108 22.461 -16.793 7.623 1.00 44.05 C ATOM 1518 C MET A 108 22.119 -16.752 9.108 1.00 35.13 C ATOM 1519 O MET A 108 22.994 -16.561 9.953 1.00 41.32 O ATOM 1520 CB MET A 108 22.145 -15.443 6.977 1.00 52.42 C ATOM 1521 CG MET A 108 22.641 -15.322 5.545 1.00 25.23 C ATOM 1522 SD MET A 108 24.439 -15.387 5.426 1.00 5.42 S ATOM 1523 CE MET A 108 24.797 -13.744 4.807 1.00 32.22 C ATOM 0 H MET A 108 21.163 -17.550 6.161 1.00 71.15 H new ATOM 0 HA MET A 108 23.527 -16.996 7.520 1.00 44.05 H new ATOM 0 HB2 MET A 108 21.067 -15.285 6.994 1.00 52.42 H new ATOM 0 HB3 MET A 108 22.592 -14.650 7.576 1.00 52.42 H new ATOM 0 HG2 MET A 108 22.212 -16.126 4.947 1.00 25.23 H new ATOM 0 HG3 MET A 108 22.286 -14.383 5.120 1.00 25.23 H new ATOM 0 HE1 MET A 108 25.539 -13.809 4.011 1.00 32.22 H new ATOM 0 HE2 MET A 108 23.884 -13.295 4.416 1.00 32.22 H new ATOM 0 HE3 MET A 108 25.187 -13.127 5.617 1.00 32.22 H new ATOM 1533 N CYS A 109 20.840 -16.933 9.421 1.00 12.21 N ATOM 1534 CA CYS A 109 20.381 -16.916 10.805 1.00 53.13 C ATOM 1535 C CYS A 109 20.865 -18.154 11.554 1.00 43.12 C ATOM 1536 O CYS A 109 21.212 -18.082 12.733 1.00 63.42 O ATOM 1537 CB CYS A 109 18.853 -16.840 10.856 1.00 25.34 C ATOM 1538 SG CYS A 109 18.156 -15.347 10.080 1.00 2.13 S ATOM 0 H CYS A 109 20.103 -17.093 8.734 1.00 12.21 H new ATOM 0 HA CYS A 109 20.799 -16.034 11.290 1.00 53.13 H new ATOM 0 HB2 CYS A 109 18.440 -17.720 10.363 1.00 25.34 H new ATOM 0 HB3 CYS A 109 18.533 -16.879 11.897 1.00 25.34 H new ATOM 1543 N ARG A 110 20.886 -19.288 10.861 1.00 43.44 N ATOM 1544 CA ARG A 110 21.327 -20.541 11.460 1.00 62.42 C ATOM 1545 C ARG A 110 22.812 -20.486 11.807 1.00 41.43 C ATOM 1546 O ARG A 110 23.252 -21.080 12.791 1.00 22.31 O ATOM 1547 CB ARG A 110 21.058 -21.708 10.508 1.00 64.50 C ATOM 1548 CG ARG A 110 19.630 -22.224 10.564 1.00 15.34 C ATOM 1549 CD ARG A 110 19.478 -23.333 11.593 1.00 73.51 C ATOM 1550 NE ARG A 110 18.090 -23.502 12.016 1.00 40.32 N ATOM 1551 CZ ARG A 110 17.144 -24.021 11.242 1.00 55.45 C ATOM 1552 NH1 ARG A 110 17.434 -24.420 10.011 1.00 21.01 N ATOM 1553 NH2 ARG A 110 15.903 -24.141 11.698 1.00 64.11 N ATOM 0 H ARG A 110 20.603 -19.364 9.884 1.00 43.44 H new ATOM 0 HA ARG A 110 20.762 -20.693 12.380 1.00 62.42 H new ATOM 0 HB2 ARG A 110 21.282 -21.393 9.489 1.00 64.50 H new ATOM 0 HB3 ARG A 110 21.740 -22.524 10.746 1.00 64.50 H new ATOM 0 HG2 ARG A 110 18.955 -21.404 10.809 1.00 15.34 H new ATOM 0 HG3 ARG A 110 19.337 -22.595 9.582 1.00 15.34 H new ATOM 0 HD2 ARG A 110 19.845 -24.269 11.173 1.00 73.51 H new ATOM 0 HD3 ARG A 110 20.097 -23.108 12.462 1.00 73.51 H new ATOM 0 HE ARG A 110 17.833 -23.205 12.957 1.00 40.32 H new ATOM 0 HH11 ARG A 110 18.386 -24.329 9.656 1.00 21.01 H new ATOM 0 HH12 ARG A 110 16.705 -24.818 9.419 1.00 21.01 H new ATOM 0 HH21 ARG A 110 15.675 -23.834 12.644 1.00 64.11 H new ATOM 0 HH22 ARG A 110 15.177 -24.540 11.103 1.00 64.11 H new ATOM 1567 N ILE A 111 23.578 -19.768 10.992 1.00 61.43 N ATOM 1568 CA ILE A 111 25.013 -19.635 11.213 1.00 13.00 C ATOM 1569 C ILE A 111 25.314 -19.283 12.666 1.00 64.22 C ATOM 1570 O ILE A 111 26.342 -19.684 13.213 1.00 20.34 O ATOM 1571 CB ILE A 111 25.626 -18.558 10.298 1.00 73.50 C ATOM 1572 CG1 ILE A 111 26.744 -19.160 9.444 1.00 31.23 C ATOM 1573 CG2 ILE A 111 26.152 -17.396 11.127 1.00 54.15 C ATOM 1574 CD1 ILE A 111 26.286 -20.305 8.568 1.00 53.32 C ATOM 0 H ILE A 111 23.229 -19.270 10.173 1.00 61.43 H new ATOM 0 HA ILE A 111 25.460 -20.600 10.975 1.00 13.00 H new ATOM 0 HB ILE A 111 24.849 -18.182 9.633 1.00 73.50 H new ATOM 0 HG12 ILE A 111 27.169 -18.379 8.814 1.00 31.23 H new ATOM 0 HG13 ILE A 111 27.542 -19.511 10.099 1.00 31.23 H new ATOM 0 HG21 ILE A 111 26.582 -16.643 10.466 1.00 54.15 H new ATOM 0 HG22 ILE A 111 25.333 -16.955 11.696 1.00 54.15 H new ATOM 0 HG23 ILE A 111 26.918 -17.756 11.814 1.00 54.15 H new ATOM 0 HD11 ILE A 111 27.130 -20.682 7.991 1.00 53.32 H new ATOM 0 HD12 ILE A 111 25.887 -21.104 9.193 1.00 53.32 H new ATOM 0 HD13 ILE A 111 25.510 -19.955 7.888 1.00 53.32 H new ATOM 1586 N THR A 112 24.411 -18.532 13.287 1.00 14.22 N ATOM 1587 CA THR A 112 24.579 -18.126 14.677 1.00 71.32 C ATOM 1588 C THR A 112 23.871 -19.091 15.621 1.00 74.12 C ATOM 1589 O THR A 112 24.271 -19.252 16.773 1.00 34.14 O ATOM 1590 CB THR A 112 24.040 -16.703 14.916 1.00 72.30 C ATOM 1591 OG1 THR A 112 22.691 -16.605 14.445 1.00 0.14 O ATOM 1592 CG2 THR A 112 24.905 -15.671 14.210 1.00 44.15 C ATOM 0 H THR A 112 23.555 -18.192 12.849 1.00 14.22 H new ATOM 0 HA THR A 112 25.649 -18.140 14.883 1.00 71.32 H new ATOM 0 HB THR A 112 24.066 -16.503 15.987 1.00 72.30 H new ATOM 0 HG1 THR A 112 22.458 -17.417 13.948 1.00 0.14 H new ATOM 0 HG21 THR A 112 24.505 -14.674 14.393 1.00 44.15 H new ATOM 0 HG22 THR A 112 25.924 -15.728 14.591 1.00 44.15 H new ATOM 0 HG23 THR A 112 24.907 -15.870 13.138 1.00 44.15 H new ATOM 1600 N MET A 113 22.817 -19.731 15.124 1.00 20.12 N ATOM 1601 CA MET A 113 22.054 -20.682 15.924 1.00 22.23 C ATOM 1602 C MET A 113 22.890 -21.918 16.243 1.00 0.22 C ATOM 1603 O MET A 113 22.756 -22.509 17.314 1.00 12.31 O ATOM 1604 CB MET A 113 20.777 -21.092 15.188 1.00 23.01 C ATOM 1605 CG MET A 113 19.750 -19.976 15.085 1.00 5.10 C ATOM 1606 SD MET A 113 18.142 -20.562 14.520 1.00 34.34 S ATOM 1607 CE MET A 113 18.101 -19.892 12.860 1.00 72.52 C ATOM 0 H MET A 113 22.472 -19.608 14.172 1.00 20.12 H new ATOM 0 HA MET A 113 21.784 -20.196 16.861 1.00 22.23 H new ATOM 0 HB2 MET A 113 21.038 -21.428 14.185 1.00 23.01 H new ATOM 0 HB3 MET A 113 20.328 -21.942 15.702 1.00 23.01 H new ATOM 0 HG2 MET A 113 19.637 -19.500 16.059 1.00 5.10 H new ATOM 0 HG3 MET A 113 20.116 -19.213 14.398 1.00 5.10 H new ATOM 0 HE1 MET A 113 17.507 -20.544 12.219 1.00 72.52 H new ATOM 0 HE2 MET A 113 17.655 -18.898 12.880 1.00 72.52 H new ATOM 0 HE3 MET A 113 19.116 -19.826 12.469 1.00 72.52 H new ATOM 1617 N GLU A 114 23.752 -22.302 15.307 1.00 74.15 N ATOM 1618 CA GLU A 114 24.608 -23.468 15.489 1.00 35.41 C ATOM 1619 C GLU A 114 25.341 -23.401 16.826 1.00 41.05 C ATOM 1620 O GLU A 114 25.160 -24.243 17.705 1.00 61.51 O ATOM 1621 CB GLU A 114 25.618 -23.571 14.345 1.00 61.22 C ATOM 1622 CG GLU A 114 25.317 -24.694 13.366 1.00 40.51 C ATOM 1623 CD GLU A 114 25.801 -26.043 13.859 1.00 35.43 C ATOM 1624 OE1 GLU A 114 27.024 -26.199 14.056 1.00 0.24 O ATOM 1625 OE2 GLU A 114 24.956 -26.944 14.048 1.00 4.11 O ATOM 0 H GLU A 114 23.876 -21.823 14.415 1.00 74.15 H new ATOM 0 HA GLU A 114 23.975 -24.356 15.485 1.00 35.41 H new ATOM 0 HB2 GLU A 114 25.639 -22.625 13.804 1.00 61.22 H new ATOM 0 HB3 GLU A 114 26.613 -23.722 14.763 1.00 61.22 H new ATOM 0 HG2 GLU A 114 24.242 -24.740 13.191 1.00 40.51 H new ATOM 0 HG3 GLU A 114 25.787 -24.471 12.408 1.00 40.51 H new ATOM 1632 N PRO A 115 26.190 -22.375 16.983 1.00 43.32 N ATOM 1633 CA PRO A 115 26.969 -22.172 18.208 1.00 14.03 C ATOM 1634 C PRO A 115 26.095 -21.758 19.388 1.00 45.32 C ATOM 1635 O PRO A 115 26.174 -22.344 20.468 1.00 42.11 O ATOM 1636 CB PRO A 115 27.932 -21.043 17.834 1.00 62.01 C ATOM 1637 CG PRO A 115 27.243 -20.304 16.740 1.00 55.33 C ATOM 1638 CD PRO A 115 26.456 -21.333 15.976 1.00 15.15 C ATOM 0 HA PRO A 115 27.468 -23.086 18.530 1.00 14.03 H new ATOM 0 HB2 PRO A 115 28.131 -20.393 18.687 1.00 62.01 H new ATOM 0 HB3 PRO A 115 28.893 -21.436 17.502 1.00 62.01 H new ATOM 0 HG2 PRO A 115 26.588 -19.532 17.143 1.00 55.33 H new ATOM 0 HG3 PRO A 115 27.964 -19.804 16.093 1.00 55.33 H new ATOM 0 HD2 PRO A 115 25.532 -20.916 15.575 1.00 15.15 H new ATOM 0 HD3 PRO A 115 27.022 -21.726 15.131 1.00 15.15 H new ATOM 1646 N CYS A 116 25.263 -20.744 19.174 1.00 32.44 N ATOM 1647 CA CYS A 116 24.374 -20.251 20.220 1.00 61.25 C ATOM 1648 C CYS A 116 22.972 -20.833 20.061 1.00 63.10 C ATOM 1649 O CYS A 116 22.119 -20.250 19.392 1.00 62.24 O ATOM 1650 CB CYS A 116 24.311 -18.723 20.185 1.00 53.12 C ATOM 1651 SG CYS A 116 25.817 -17.902 20.798 1.00 60.21 S ATOM 0 H CYS A 116 25.186 -20.248 18.286 1.00 32.44 H new ATOM 0 HA CYS A 116 24.773 -20.570 21.183 1.00 61.25 H new ATOM 0 HB2 CYS A 116 24.126 -18.401 19.160 1.00 53.12 H new ATOM 0 HB3 CYS A 116 23.461 -18.391 20.781 1.00 53.12 H new ATOM 1656 N ARG A 117 22.742 -21.986 20.682 1.00 45.44 N ATOM 1657 CA ARG A 117 21.445 -22.647 20.609 1.00 63.01 C ATOM 1658 C ARG A 117 20.388 -21.857 21.375 1.00 43.55 C ATOM 1659 O ARG A 117 19.189 -22.023 21.148 1.00 65.22 O ATOM 1660 CB ARG A 117 21.541 -24.067 21.170 1.00 71.14 C ATOM 1661 CG ARG A 117 20.189 -24.717 21.416 1.00 2.25 C ATOM 1662 CD ARG A 117 19.738 -24.534 22.857 1.00 22.32 C ATOM 1663 NE ARG A 117 19.180 -25.763 23.416 1.00 51.32 N ATOM 1664 CZ ARG A 117 18.556 -25.820 24.587 1.00 24.33 C ATOM 1665 NH1 ARG A 117 18.412 -24.725 25.320 1.00 51.43 N ATOM 1666 NH2 ARG A 117 18.075 -26.976 25.028 1.00 3.21 N ATOM 0 H ARG A 117 23.437 -22.481 21.241 1.00 45.44 H new ATOM 0 HA ARG A 117 21.149 -22.696 19.561 1.00 63.01 H new ATOM 0 HB2 ARG A 117 22.111 -24.685 20.476 1.00 71.14 H new ATOM 0 HB3 ARG A 117 22.098 -24.042 22.106 1.00 71.14 H new ATOM 0 HG2 ARG A 117 19.448 -24.284 20.744 1.00 2.25 H new ATOM 0 HG3 ARG A 117 20.247 -25.780 21.184 1.00 2.25 H new ATOM 0 HD2 ARG A 117 20.584 -24.211 23.464 1.00 22.32 H new ATOM 0 HD3 ARG A 117 18.991 -23.742 22.905 1.00 22.32 H new ATOM 0 HE ARG A 117 19.275 -26.624 22.878 1.00 51.32 H new ATOM 0 HH11 ARG A 117 18.781 -23.835 24.985 1.00 51.43 H new ATOM 0 HH12 ARG A 117 17.932 -24.772 26.219 1.00 51.43 H new ATOM 0 HH21 ARG A 117 18.185 -27.821 24.467 1.00 3.21 H new ATOM 0 HH22 ARG A 117 17.596 -27.019 25.927 1.00 3.21 H new ATOM 1680 N ILE A 118 20.841 -20.997 22.281 1.00 21.22 N ATOM 1681 CA ILE A 118 19.935 -20.181 23.079 1.00 34.23 C ATOM 1682 C ILE A 118 19.276 -19.100 22.229 1.00 10.25 C ATOM 1683 O ILE A 118 18.356 -18.415 22.680 1.00 63.13 O ATOM 1684 CB ILE A 118 20.667 -19.516 24.259 1.00 2.23 C ATOM 1685 CG1 ILE A 118 21.512 -20.547 25.011 1.00 74.14 C ATOM 1686 CG2 ILE A 118 19.669 -18.855 25.198 1.00 33.52 C ATOM 1687 CD1 ILE A 118 20.728 -21.763 25.453 1.00 12.21 C ATOM 0 H ILE A 118 21.830 -20.847 22.481 1.00 21.22 H new ATOM 0 HA ILE A 118 19.168 -20.851 23.469 1.00 34.23 H new ATOM 0 HB ILE A 118 21.332 -18.746 23.867 1.00 2.23 H new ATOM 0 HG12 ILE A 118 22.334 -20.867 24.371 1.00 74.14 H new ATOM 0 HG13 ILE A 118 21.956 -20.073 25.886 1.00 74.14 H new ATOM 0 HG21 ILE A 118 20.202 -18.390 26.027 1.00 33.52 H new ATOM 0 HG22 ILE A 118 19.107 -18.095 24.655 1.00 33.52 H new ATOM 0 HG23 ILE A 118 18.981 -19.607 25.586 1.00 33.52 H new ATOM 0 HD11 ILE A 118 21.390 -22.451 25.979 1.00 12.21 H new ATOM 0 HD12 ILE A 118 19.922 -21.454 26.119 1.00 12.21 H new ATOM 0 HD13 ILE A 118 20.307 -22.261 24.580 1.00 12.21 H new ATOM 1699 N LEU A 119 19.751 -18.952 20.998 1.00 70.13 N ATOM 1700 CA LEU A 119 19.207 -17.955 20.082 1.00 1.24 C ATOM 1701 C LEU A 119 18.080 -18.545 19.242 1.00 54.24 C ATOM 1702 O LEU A 119 17.855 -18.127 18.105 1.00 31.23 O ATOM 1703 CB LEU A 119 20.310 -17.416 19.170 1.00 4.43 C ATOM 1704 CG LEU A 119 21.089 -16.210 19.699 1.00 61.41 C ATOM 1705 CD1 LEU A 119 20.224 -14.960 19.668 1.00 73.33 C ATOM 1706 CD2 LEU A 119 21.592 -16.478 21.110 1.00 44.11 C ATOM 0 H LEU A 119 20.512 -19.510 20.610 1.00 70.13 H new ATOM 0 HA LEU A 119 18.802 -17.135 20.675 1.00 1.24 H new ATOM 0 HB2 LEU A 119 21.017 -18.222 18.973 1.00 4.43 H new ATOM 0 HB3 LEU A 119 19.863 -17.143 18.214 1.00 4.43 H new ATOM 0 HG LEU A 119 21.951 -16.046 19.052 1.00 61.41 H new ATOM 0 HD11 LEU A 119 20.795 -14.113 20.048 1.00 73.33 H new ATOM 0 HD12 LEU A 119 19.913 -14.758 18.643 1.00 73.33 H new ATOM 0 HD13 LEU A 119 19.343 -15.112 20.291 1.00 73.33 H new ATOM 0 HD21 LEU A 119 22.144 -15.610 21.471 1.00 44.11 H new ATOM 0 HD22 LEU A 119 20.744 -16.668 21.768 1.00 44.11 H new ATOM 0 HD23 LEU A 119 22.249 -17.348 21.103 1.00 44.11 H new ATOM 1718 N TYR A 120 17.372 -19.516 19.808 1.00 23.10 N ATOM 1719 CA TYR A 120 16.268 -20.164 19.111 1.00 52.24 C ATOM 1720 C TYR A 120 15.312 -19.129 18.524 1.00 23.10 C ATOM 1721 O TYR A 120 14.990 -19.168 17.337 1.00 3.24 O ATOM 1722 CB TYR A 120 15.511 -21.092 20.062 1.00 54.01 C ATOM 1723 CG TYR A 120 16.061 -22.500 20.100 1.00 4.44 C ATOM 1724 CD1 TYR A 120 16.211 -23.240 18.934 1.00 32.12 C ATOM 1725 CD2 TYR A 120 16.431 -23.089 21.303 1.00 64.43 C ATOM 1726 CE1 TYR A 120 16.713 -24.527 18.964 1.00 11.24 C ATOM 1727 CE2 TYR A 120 16.936 -24.375 21.342 1.00 12.23 C ATOM 1728 CZ TYR A 120 17.074 -25.089 20.171 1.00 64.53 C ATOM 1729 OH TYR A 120 17.575 -26.371 20.206 1.00 1.31 O ATOM 0 H TYR A 120 17.543 -19.872 20.748 1.00 23.10 H new ATOM 0 HA TYR A 120 16.684 -20.753 18.294 1.00 52.24 H new ATOM 0 HB2 TYR A 120 15.542 -20.672 21.067 1.00 54.01 H new ATOM 0 HB3 TYR A 120 14.463 -21.128 19.763 1.00 54.01 H new ATOM 0 HD1 TYR A 120 15.930 -22.802 17.988 1.00 32.12 H new ATOM 0 HD2 TYR A 120 16.322 -22.533 22.222 1.00 64.43 H new ATOM 0 HE1 TYR A 120 16.822 -25.089 18.048 1.00 11.24 H new ATOM 0 HE2 TYR A 120 17.221 -24.818 22.285 1.00 12.23 H new ATOM 0 HH TYR A 120 17.781 -26.616 21.132 1.00 1.31 H new ATOM 1739 N ASN A 121 14.863 -18.204 19.366 1.00 41.22 N ATOM 1740 CA ASN A 121 13.944 -17.157 18.932 1.00 24.51 C ATOM 1741 C ASN A 121 13.590 -16.230 20.091 1.00 72.42 C ATOM 1742 O ASN A 121 13.381 -15.032 19.901 1.00 54.34 O ATOM 1743 CB ASN A 121 12.671 -17.776 18.351 1.00 22.34 C ATOM 1744 CG ASN A 121 12.229 -19.011 19.113 1.00 1.10 C ATOM 1745 OD1 ASN A 121 12.402 -20.137 18.646 1.00 10.11 O ATOM 1746 ND2 ASN A 121 11.655 -18.804 20.292 1.00 33.33 N ATOM 0 H ASN A 121 15.120 -18.158 20.352 1.00 41.22 H new ATOM 0 HA ASN A 121 14.440 -16.570 18.159 1.00 24.51 H new ATOM 0 HB2 ASN A 121 11.870 -17.036 18.367 1.00 22.34 H new ATOM 0 HB3 ASN A 121 12.842 -18.038 17.307 1.00 22.34 H new ATOM 0 HD21 ASN A 121 11.337 -19.596 20.850 1.00 33.33 H new ATOM 0 HD22 ASN A 121 11.532 -17.853 20.639 1.00 33.33 H new ATOM 1753 N THR A 122 13.524 -16.793 21.293 1.00 22.44 N ATOM 1754 CA THR A 122 13.195 -16.019 22.483 1.00 12.31 C ATOM 1755 C THR A 122 14.043 -14.755 22.569 1.00 50.04 C ATOM 1756 O THR A 122 15.038 -14.612 21.857 1.00 71.51 O ATOM 1757 CB THR A 122 13.397 -16.847 23.766 1.00 14.53 C ATOM 1758 OG1 THR A 122 12.906 -16.121 24.899 1.00 23.24 O ATOM 1759 CG2 THR A 122 14.867 -17.181 23.969 1.00 13.21 C ATOM 0 H THR A 122 13.694 -17.783 21.468 1.00 22.44 H new ATOM 0 HA THR A 122 12.144 -15.743 22.399 1.00 12.31 H new ATOM 0 HB THR A 122 12.841 -17.779 23.663 1.00 14.53 H new ATOM 0 HG1 THR A 122 13.036 -16.654 25.711 1.00 23.24 H new ATOM 0 HG21 THR A 122 14.985 -17.766 24.881 1.00 13.21 H new ATOM 0 HG22 THR A 122 15.230 -17.758 23.118 1.00 13.21 H new ATOM 0 HG23 THR A 122 15.441 -16.258 24.053 1.00 13.21 H new ATOM 1767 N THR A 123 13.644 -13.838 23.445 1.00 62.20 N ATOM 1768 CA THR A 123 14.368 -12.586 23.623 1.00 14.43 C ATOM 1769 C THR A 123 15.654 -12.801 24.412 1.00 62.21 C ATOM 1770 O THR A 123 15.695 -12.586 25.623 1.00 30.25 O ATOM 1771 CB THR A 123 13.504 -11.536 24.349 1.00 60.44 C ATOM 1772 OG1 THR A 123 12.177 -11.537 23.810 1.00 22.11 O ATOM 1773 CG2 THR A 123 14.111 -10.148 24.213 1.00 62.32 C ATOM 0 H THR A 123 12.823 -13.939 24.042 1.00 62.20 H new ATOM 0 HA THR A 123 14.614 -12.219 22.626 1.00 14.43 H new ATOM 0 HB THR A 123 13.467 -11.796 25.407 1.00 60.44 H new ATOM 0 HG1 THR A 123 11.634 -10.869 24.277 1.00 22.11 H new ATOM 0 HG21 THR A 123 13.484 -9.424 24.733 1.00 62.32 H new ATOM 0 HG22 THR A 123 15.110 -10.143 24.650 1.00 62.32 H new ATOM 0 HG23 THR A 123 14.175 -9.881 23.158 1.00 62.32 H new ATOM 1781 N PHE A 124 16.704 -13.227 23.717 1.00 2.43 N ATOM 1782 CA PHE A 124 17.993 -13.472 24.353 1.00 4.44 C ATOM 1783 C PHE A 124 19.059 -12.526 23.806 1.00 74.45 C ATOM 1784 O PHE A 124 19.920 -12.049 24.544 1.00 24.11 O ATOM 1785 CB PHE A 124 18.424 -14.924 24.138 1.00 5.21 C ATOM 1786 CG PHE A 124 19.441 -15.402 25.135 1.00 11.53 C ATOM 1787 CD1 PHE A 124 19.078 -15.651 26.449 1.00 12.21 C ATOM 1788 CD2 PHE A 124 20.759 -15.602 24.759 1.00 2.21 C ATOM 1789 CE1 PHE A 124 20.011 -16.090 27.369 1.00 44.32 C ATOM 1790 CE2 PHE A 124 21.697 -16.041 25.674 1.00 22.04 C ATOM 1791 CZ PHE A 124 21.322 -16.286 26.981 1.00 64.32 C ATOM 0 H PHE A 124 16.687 -13.410 22.714 1.00 2.43 H new ATOM 0 HA PHE A 124 17.883 -13.287 25.422 1.00 4.44 H new ATOM 0 HB2 PHE A 124 17.545 -15.567 24.191 1.00 5.21 H new ATOM 0 HB3 PHE A 124 18.835 -15.028 23.134 1.00 5.21 H new ATOM 0 HD1 PHE A 124 18.054 -15.500 26.758 1.00 12.21 H new ATOM 0 HD2 PHE A 124 21.057 -15.413 23.738 1.00 2.21 H new ATOM 0 HE1 PHE A 124 19.715 -16.280 28.390 1.00 44.32 H new ATOM 0 HE2 PHE A 124 22.722 -16.192 25.368 1.00 22.04 H new ATOM 0 HZ PHE A 124 22.053 -16.630 27.698 1.00 64.32 H new ATOM 1801 N PHE A 125 18.993 -12.261 22.505 1.00 0.21 N ATOM 1802 CA PHE A 125 19.952 -11.374 21.857 1.00 61.25 C ATOM 1803 C PHE A 125 19.386 -10.823 20.551 1.00 5.31 C ATOM 1804 O PHE A 125 19.791 -11.213 19.456 1.00 73.52 O ATOM 1805 CB PHE A 125 21.262 -12.117 21.585 1.00 41.35 C ATOM 1806 CG PHE A 125 22.198 -12.131 22.759 1.00 43.50 C ATOM 1807 CD1 PHE A 125 22.570 -10.949 23.379 1.00 1.43 C ATOM 1808 CD2 PHE A 125 22.706 -13.325 23.243 1.00 20.31 C ATOM 1809 CE1 PHE A 125 23.432 -10.959 24.460 1.00 41.44 C ATOM 1810 CE2 PHE A 125 23.568 -13.342 24.323 1.00 1.44 C ATOM 1811 CZ PHE A 125 23.931 -12.157 24.933 1.00 13.40 C ATOM 0 H PHE A 125 18.286 -12.648 21.880 1.00 0.21 H new ATOM 0 HA PHE A 125 20.149 -10.538 22.529 1.00 61.25 H new ATOM 0 HB2 PHE A 125 21.035 -13.144 21.299 1.00 41.35 H new ATOM 0 HB3 PHE A 125 21.764 -11.653 20.736 1.00 41.35 H new ATOM 0 HD1 PHE A 125 22.182 -10.009 23.014 1.00 1.43 H new ATOM 0 HD2 PHE A 125 22.425 -14.255 22.770 1.00 20.31 H new ATOM 0 HE1 PHE A 125 23.715 -10.031 24.934 1.00 41.44 H new ATOM 0 HE2 PHE A 125 23.957 -14.280 24.690 1.00 1.44 H new ATOM 0 HZ PHE A 125 24.604 -12.167 25.778 1.00 13.40 H new ATOM 1821 N PRO A 126 18.427 -9.892 20.669 1.00 65.43 N ATOM 1822 CA PRO A 126 17.785 -9.267 19.509 1.00 0.31 C ATOM 1823 C PRO A 126 18.730 -8.338 18.754 1.00 72.11 C ATOM 1824 O PRO A 126 18.862 -8.428 17.533 1.00 34.21 O ATOM 1825 CB PRO A 126 16.634 -8.470 20.128 1.00 31.13 C ATOM 1826 CG PRO A 126 17.073 -8.193 21.525 1.00 41.25 C ATOM 1827 CD PRO A 126 17.897 -9.379 21.943 1.00 72.21 C ATOM 0 HA PRO A 126 17.464 -10.005 18.774 1.00 0.31 H new ATOM 0 HB2 PRO A 126 16.453 -7.546 19.579 1.00 31.13 H new ATOM 0 HB3 PRO A 126 15.704 -9.039 20.111 1.00 31.13 H new ATOM 0 HG2 PRO A 126 17.658 -7.274 21.575 1.00 41.25 H new ATOM 0 HG3 PRO A 126 16.215 -8.062 22.185 1.00 41.25 H new ATOM 0 HD2 PRO A 126 18.698 -9.092 22.625 1.00 72.21 H new ATOM 0 HD3 PRO A 126 17.293 -10.127 22.457 1.00 72.21 H new ATOM 1835 N LYS A 127 19.386 -7.446 19.487 1.00 3.33 N ATOM 1836 CA LYS A 127 20.321 -6.501 18.888 1.00 50.32 C ATOM 1837 C LYS A 127 21.523 -7.227 18.293 1.00 72.52 C ATOM 1838 O LYS A 127 22.103 -6.782 17.302 1.00 14.44 O ATOM 1839 CB LYS A 127 20.791 -5.485 19.932 1.00 62.05 C ATOM 1840 CG LYS A 127 21.893 -6.008 20.836 1.00 23.42 C ATOM 1841 CD LYS A 127 21.357 -7.009 21.847 1.00 43.52 C ATOM 1842 CE LYS A 127 20.336 -6.369 22.776 1.00 65.42 C ATOM 1843 NZ LYS A 127 20.842 -5.099 23.366 1.00 24.31 N ATOM 0 H LYS A 127 19.288 -7.357 20.498 1.00 3.33 H new ATOM 0 HA LYS A 127 19.803 -5.975 18.086 1.00 50.32 H new ATOM 0 HB2 LYS A 127 21.146 -4.590 19.421 1.00 62.05 H new ATOM 0 HB3 LYS A 127 19.941 -5.187 20.545 1.00 62.05 H new ATOM 0 HG2 LYS A 127 22.668 -6.479 20.231 1.00 23.42 H new ATOM 0 HG3 LYS A 127 22.361 -5.175 21.360 1.00 23.42 H new ATOM 0 HD2 LYS A 127 20.899 -7.847 21.323 1.00 43.52 H new ATOM 0 HD3 LYS A 127 22.182 -7.413 22.434 1.00 43.52 H new ATOM 0 HE2 LYS A 127 19.417 -6.172 22.225 1.00 65.42 H new ATOM 0 HE3 LYS A 127 20.085 -7.066 23.575 1.00 65.42 H new ATOM 0 HZ1 LYS A 127 20.233 -4.819 24.161 1.00 24.31 H new ATOM 0 HZ2 LYS A 127 21.815 -5.238 23.707 1.00 24.31 H new ATOM 0 HZ3 LYS A 127 20.833 -4.352 22.642 1.00 24.31 H new ATOM 1857 N PHE A 128 21.891 -8.350 18.902 1.00 2.52 N ATOM 1858 CA PHE A 128 23.024 -9.138 18.432 1.00 71.40 C ATOM 1859 C PHE A 128 22.581 -10.155 17.384 1.00 40.13 C ATOM 1860 O PHE A 128 23.391 -10.641 16.593 1.00 75.41 O ATOM 1861 CB PHE A 128 23.694 -9.857 19.605 1.00 71.32 C ATOM 1862 CG PHE A 128 24.448 -11.091 19.200 1.00 65.15 C ATOM 1863 CD1 PHE A 128 23.810 -12.319 19.131 1.00 53.43 C ATOM 1864 CD2 PHE A 128 25.797 -11.023 18.888 1.00 71.40 C ATOM 1865 CE1 PHE A 128 24.501 -13.456 18.758 1.00 41.03 C ATOM 1866 CE2 PHE A 128 26.493 -12.157 18.514 1.00 63.10 C ATOM 1867 CZ PHE A 128 25.845 -13.375 18.450 1.00 70.00 C ATOM 0 H PHE A 128 21.421 -8.734 19.722 1.00 2.52 H new ATOM 0 HA PHE A 128 23.742 -8.458 17.973 1.00 71.40 H new ATOM 0 HB2 PHE A 128 24.379 -9.168 20.099 1.00 71.32 H new ATOM 0 HB3 PHE A 128 22.933 -10.130 20.336 1.00 71.32 H new ATOM 0 HD1 PHE A 128 22.759 -12.388 19.372 1.00 53.43 H new ATOM 0 HD2 PHE A 128 26.310 -10.074 18.938 1.00 71.40 H new ATOM 0 HE1 PHE A 128 23.991 -14.407 18.707 1.00 41.03 H new ATOM 0 HE2 PHE A 128 27.543 -12.091 18.272 1.00 63.10 H new ATOM 0 HZ PHE A 128 26.388 -14.262 18.160 1.00 70.00 H new ATOM 1877 N LEU A 129 21.291 -10.472 17.384 1.00 0.10 N ATOM 1878 CA LEU A 129 20.739 -11.431 16.434 1.00 73.22 C ATOM 1879 C LEU A 129 19.438 -10.911 15.829 1.00 65.42 C ATOM 1880 O LEU A 129 18.368 -11.475 16.056 1.00 13.21 O ATOM 1881 CB LEU A 129 20.493 -12.776 17.121 1.00 41.33 C ATOM 1882 CG LEU A 129 21.133 -13.995 16.457 1.00 62.42 C ATOM 1883 CD1 LEU A 129 20.418 -14.333 15.158 1.00 51.22 C ATOM 1884 CD2 LEU A 129 22.614 -13.750 16.204 1.00 14.23 C ATOM 0 H LEU A 129 20.608 -10.079 18.031 1.00 0.10 H new ATOM 0 HA LEU A 129 21.463 -11.567 15.631 1.00 73.22 H new ATOM 0 HB2 LEU A 129 20.860 -12.711 18.145 1.00 41.33 H new ATOM 0 HB3 LEU A 129 19.417 -12.941 17.178 1.00 41.33 H new ATOM 0 HG LEU A 129 21.036 -14.844 17.133 1.00 62.42 H new ATOM 0 HD11 LEU A 129 20.888 -15.203 14.700 1.00 51.22 H new ATOM 0 HD12 LEU A 129 19.371 -14.553 15.366 1.00 51.22 H new ATOM 0 HD13 LEU A 129 20.482 -13.485 14.476 1.00 51.22 H new ATOM 0 HD21 LEU A 129 23.053 -14.629 15.731 1.00 14.23 H new ATOM 0 HD22 LEU A 129 22.733 -12.887 15.549 1.00 14.23 H new ATOM 0 HD23 LEU A 129 23.118 -13.558 17.151 1.00 14.23 H new ATOM 1896 N ARG A 130 19.540 -9.835 15.056 1.00 2.11 N ATOM 1897 CA ARG A 130 18.373 -9.240 14.417 1.00 14.24 C ATOM 1898 C ARG A 130 17.918 -10.078 13.226 1.00 45.12 C ATOM 1899 O ARG A 130 17.908 -9.605 12.089 1.00 75.32 O ATOM 1900 CB ARG A 130 18.686 -7.813 13.962 1.00 74.55 C ATOM 1901 CG ARG A 130 18.500 -6.771 15.052 1.00 22.11 C ATOM 1902 CD ARG A 130 17.966 -5.464 14.488 1.00 11.21 C ATOM 1903 NE ARG A 130 16.570 -5.576 14.074 1.00 31.31 N ATOM 1904 CZ ARG A 130 15.547 -5.541 14.921 1.00 41.11 C ATOM 1905 NH1 ARG A 130 15.763 -5.396 16.221 1.00 23.40 N ATOM 1906 NH2 ARG A 130 14.305 -5.650 14.468 1.00 52.44 N ATOM 0 H ARG A 130 20.419 -9.357 14.857 1.00 2.11 H new ATOM 0 HA ARG A 130 17.565 -9.212 15.148 1.00 14.24 H new ATOM 0 HB2 ARG A 130 19.715 -7.772 13.604 1.00 74.55 H new ATOM 0 HB3 ARG A 130 18.045 -7.561 13.117 1.00 74.55 H new ATOM 0 HG2 ARG A 130 17.811 -7.151 15.807 1.00 22.11 H new ATOM 0 HG3 ARG A 130 19.452 -6.591 15.551 1.00 22.11 H new ATOM 0 HD2 ARG A 130 18.059 -4.680 15.239 1.00 11.21 H new ATOM 0 HD3 ARG A 130 18.574 -5.162 13.635 1.00 11.21 H new ATOM 0 HE ARG A 130 16.369 -5.687 13.080 1.00 31.31 H new ATOM 0 HH11 ARG A 130 16.716 -5.311 16.573 1.00 23.40 H new ATOM 0 HH12 ARG A 130 14.976 -5.369 16.869 1.00 23.40 H new ATOM 0 HH21 ARG A 130 14.135 -5.761 13.468 1.00 52.44 H new ATOM 0 HH22 ARG A 130 13.520 -5.623 15.119 1.00 52.44 H new ATOM 1920 N CYS A 131 17.545 -11.325 13.494 1.00 13.50 N ATOM 1921 CA CYS A 131 17.091 -12.230 12.445 1.00 14.33 C ATOM 1922 C CYS A 131 15.622 -12.594 12.640 1.00 74.30 C ATOM 1923 O CYS A 131 14.994 -12.186 13.616 1.00 24.03 O ATOM 1924 CB CYS A 131 17.945 -13.499 12.433 1.00 41.34 C ATOM 1925 SG CYS A 131 18.911 -13.730 10.905 1.00 14.32 S ATOM 0 H CYS A 131 17.548 -11.732 14.429 1.00 13.50 H new ATOM 0 HA CYS A 131 17.197 -11.720 11.488 1.00 14.33 H new ATOM 0 HB2 CYS A 131 18.628 -13.472 13.282 1.00 41.34 H new ATOM 0 HB3 CYS A 131 17.295 -14.363 12.574 1.00 41.34 H new ATOM 1930 N ASN A 132 15.080 -13.366 11.703 1.00 1.11 N ATOM 1931 CA ASN A 132 13.685 -13.786 11.771 1.00 40.20 C ATOM 1932 C ASN A 132 13.367 -14.398 13.132 1.00 52.12 C ATOM 1933 O ASN A 132 14.216 -15.042 13.747 1.00 11.30 O ATOM 1934 CB ASN A 132 13.380 -14.794 10.662 1.00 73.24 C ATOM 1935 CG ASN A 132 14.156 -16.087 10.825 1.00 1.43 C ATOM 1936 OD1 ASN A 132 13.917 -16.854 11.758 1.00 12.41 O ATOM 1937 ND2 ASN A 132 15.092 -16.333 9.916 1.00 24.35 N ATOM 0 H ASN A 132 15.586 -13.713 10.888 1.00 1.11 H new ATOM 0 HA ASN A 132 13.059 -12.905 11.634 1.00 40.20 H new ATOM 0 HB2 ASN A 132 12.312 -15.013 10.657 1.00 73.24 H new ATOM 0 HB3 ASN A 132 13.619 -14.350 9.696 1.00 73.24 H new ATOM 0 HD21 ASN A 132 15.648 -17.186 9.974 1.00 24.35 H new ATOM 0 HD22 ASN A 132 15.256 -15.669 9.160 1.00 24.35 H new ATOM 1944 N GLU A 133 12.138 -14.192 13.594 1.00 35.33 N ATOM 1945 CA GLU A 133 11.708 -14.724 14.882 1.00 12.03 C ATOM 1946 C GLU A 133 10.197 -14.938 14.906 1.00 41.31 C ATOM 1947 O GLU A 133 9.423 -14.017 14.643 1.00 43.53 O ATOM 1948 CB GLU A 133 12.118 -13.777 16.012 1.00 32.33 C ATOM 1949 CG GLU A 133 13.491 -14.077 16.589 1.00 30.14 C ATOM 1950 CD GLU A 133 14.480 -12.951 16.357 1.00 32.23 C ATOM 1951 OE1 GLU A 133 14.084 -11.775 16.495 1.00 74.14 O ATOM 1952 OE2 GLU A 133 15.651 -13.247 16.039 1.00 74.14 O ATOM 0 H GLU A 133 11.423 -13.661 13.096 1.00 35.33 H new ATOM 0 HA GLU A 133 12.196 -15.687 15.029 1.00 12.03 H new ATOM 0 HB2 GLU A 133 12.106 -12.753 15.639 1.00 32.33 H new ATOM 0 HB3 GLU A 133 11.377 -13.835 16.810 1.00 32.33 H new ATOM 0 HG2 GLU A 133 13.399 -14.260 17.660 1.00 30.14 H new ATOM 0 HG3 GLU A 133 13.877 -14.993 16.141 1.00 30.14 H new ATOM 1959 N THR A 134 9.783 -16.161 15.223 1.00 41.21 N ATOM 1960 CA THR A 134 8.366 -16.497 15.280 1.00 63.45 C ATOM 1961 C THR A 134 7.711 -16.351 13.911 1.00 63.32 C ATOM 1962 O THR A 134 6.515 -16.077 13.810 1.00 73.22 O ATOM 1963 CB THR A 134 7.618 -15.609 16.292 1.00 71.54 C ATOM 1964 OG1 THR A 134 7.164 -14.412 15.651 1.00 74.22 O ATOM 1965 CG2 THR A 134 8.516 -15.252 17.466 1.00 22.52 C ATOM 0 H THR A 134 10.409 -16.935 15.444 1.00 41.21 H new ATOM 0 HA THR A 134 8.300 -17.536 15.602 1.00 63.45 H new ATOM 0 HB THR A 134 6.761 -16.167 16.668 1.00 71.54 H new ATOM 0 HG1 THR A 134 7.936 -13.897 15.335 1.00 74.22 H new ATOM 0 HG21 THR A 134 7.966 -14.625 18.167 1.00 22.52 H new ATOM 0 HG22 THR A 134 8.836 -16.164 17.969 1.00 22.52 H new ATOM 0 HG23 THR A 134 9.390 -14.711 17.104 1.00 22.52 H new ATOM 1973 N LEU A 135 8.502 -16.536 12.859 1.00 33.43 N ATOM 1974 CA LEU A 135 7.998 -16.426 11.495 1.00 71.04 C ATOM 1975 C LEU A 135 8.576 -17.526 10.610 1.00 45.40 C ATOM 1976 O LEU A 135 9.428 -18.302 11.044 1.00 73.34 O ATOM 1977 CB LEU A 135 8.342 -15.054 10.913 1.00 54.24 C ATOM 1978 CG LEU A 135 9.806 -14.833 10.533 1.00 24.25 C ATOM 1979 CD1 LEU A 135 10.024 -15.118 9.056 1.00 51.05 C ATOM 1980 CD2 LEU A 135 10.238 -13.414 10.874 1.00 33.33 C ATOM 0 H LEU A 135 9.494 -16.763 12.925 1.00 33.43 H new ATOM 0 HA LEU A 135 6.914 -16.541 11.524 1.00 71.04 H new ATOM 0 HB2 LEU A 135 7.729 -14.894 10.026 1.00 54.24 H new ATOM 0 HB3 LEU A 135 8.057 -14.292 11.639 1.00 54.24 H new ATOM 0 HG LEU A 135 10.419 -15.526 11.109 1.00 24.25 H new ATOM 0 HD11 LEU A 135 11.072 -14.955 8.805 1.00 51.05 H new ATOM 0 HD12 LEU A 135 9.756 -16.153 8.842 1.00 51.05 H new ATOM 0 HD13 LEU A 135 9.400 -14.451 8.461 1.00 51.05 H new ATOM 0 HD21 LEU A 135 11.283 -13.275 10.596 1.00 33.33 H new ATOM 0 HD22 LEU A 135 9.619 -12.704 10.326 1.00 33.33 H new ATOM 0 HD23 LEU A 135 10.122 -13.246 11.945 1.00 33.33 H new ATOM 1992 N PHE A 136 8.110 -17.584 9.367 1.00 63.41 N ATOM 1993 CA PHE A 136 8.582 -18.588 8.420 1.00 22.11 C ATOM 1994 C PHE A 136 9.471 -17.955 7.354 1.00 5.42 C ATOM 1995 O PHE A 136 9.009 -17.532 6.294 1.00 32.42 O ATOM 1996 CB PHE A 136 7.396 -19.293 7.758 1.00 3.11 C ATOM 1997 CG PHE A 136 6.894 -20.477 8.533 1.00 23.50 C ATOM 1998 CD1 PHE A 136 6.264 -20.306 9.755 1.00 2.11 C ATOM 1999 CD2 PHE A 136 7.052 -21.762 8.039 1.00 32.43 C ATOM 2000 CE1 PHE A 136 5.802 -21.394 10.471 1.00 60.45 C ATOM 2001 CE2 PHE A 136 6.591 -22.855 8.750 1.00 3.21 C ATOM 2002 CZ PHE A 136 5.965 -22.670 9.967 1.00 74.21 C ATOM 0 H PHE A 136 7.406 -16.948 8.992 1.00 63.41 H new ATOM 0 HA PHE A 136 9.171 -19.322 8.970 1.00 22.11 H new ATOM 0 HB2 PHE A 136 6.582 -18.579 7.634 1.00 3.11 H new ATOM 0 HB3 PHE A 136 7.689 -19.620 6.760 1.00 3.11 H new ATOM 0 HD1 PHE A 136 6.132 -19.311 10.153 1.00 2.11 H new ATOM 0 HD2 PHE A 136 7.541 -21.912 7.088 1.00 32.43 H new ATOM 0 HE1 PHE A 136 5.314 -21.247 11.423 1.00 60.45 H new ATOM 0 HE2 PHE A 136 6.720 -23.851 8.354 1.00 3.21 H new ATOM 0 HZ PHE A 136 5.603 -23.522 10.524 1.00 74.21 H new ATOM 2012 N PRO A 137 10.780 -17.886 7.641 1.00 40.44 N ATOM 2013 CA PRO A 137 11.762 -17.305 6.720 1.00 24.42 C ATOM 2014 C PRO A 137 11.979 -18.170 5.483 1.00 52.00 C ATOM 2015 O PRO A 137 11.944 -17.678 4.354 1.00 31.05 O ATOM 2016 CB PRO A 137 13.041 -17.243 7.559 1.00 21.03 C ATOM 2017 CG PRO A 137 12.874 -18.311 8.585 1.00 53.42 C ATOM 2018 CD PRO A 137 11.401 -18.369 8.885 1.00 64.30 C ATOM 0 HA PRO A 137 11.439 -16.337 6.337 1.00 24.42 H new ATOM 0 HB2 PRO A 137 13.925 -17.418 6.946 1.00 21.03 H new ATOM 0 HB3 PRO A 137 13.163 -16.264 8.023 1.00 21.03 H new ATOM 0 HG2 PRO A 137 13.235 -19.270 8.213 1.00 53.42 H new ATOM 0 HG3 PRO A 137 13.447 -18.082 9.484 1.00 53.42 H new ATOM 0 HD2 PRO A 137 11.080 -19.382 9.127 1.00 64.30 H new ATOM 0 HD3 PRO A 137 11.139 -17.740 9.736 1.00 64.30 H new