USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=29 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 121 ASN :FLIP amide:sc= 0.347 F(o=-2.2!,f=1.6) USER MOD Set 1.2: A 123 THR OG1 : rot -88:sc= 1.24 USER MOD Set 2.1: A 28 TYR OH : rot 30:sc= 0.245 USER MOD Set 2.2: A 47 SER OG : rot -134:sc= 1.71 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 91:sc= 1.3 USER MOD Single : A 35 ASN : amide:sc= -5.5! C(o=-5.5!,f=-7.7!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 69:sc= 1.08 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 56:sc= 1.26 USER MOD Single : A 48 SER OG : rot 76:sc= -0.381 USER MOD Single : A 52 THR OG1 : rot -100:sc= -0.905 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 56 THR OG1 : rot 120:sc= -1.67 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.13) USER MOD Single : A 63 LYS NZ :NH3+ -120:sc= -0.23 (180deg=-0.744) USER MOD Single : A 65 ASN : amide:sc=-0.00705 X(o=-0.007,f=-0.1) USER MOD Single : A 67 TYR OH : rot -130:sc= -1.32 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= -0.0298 (180deg=-0.327) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.5) USER MOD Single : A 89 LYS NZ :NH3+ 142:sc= 0.153 (180deg=0) 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= -0.639 X(o=-0.64,f=-0.32) USER MOD Single : A 100 MET CE :methyl 131:sc= -1.43 (180deg=-5.24!) 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 -170:sc= -0.0953 (180deg=-0.313) USER MOD Single : A 112 THR OG1 : rot -68:sc= 0.0809 USER MOD Single : A 113 MET CE :methyl -132:sc= -2.4 (180deg=-5.61!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.014 USER MOD Single : A 127 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.111) USER MOD Single : A 132 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.24) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 127 N MET A 21 10.276 -12.531 2.389 1.00 11.24 N ATOM 128 CA MET A 21 11.078 -12.629 1.176 1.00 44.43 C ATOM 129 C MET A 21 11.578 -11.254 0.742 1.00 21.20 C ATOM 130 O MET A 21 12.769 -10.957 0.837 1.00 61.43 O ATOM 131 CB MET A 21 10.263 -13.266 0.049 1.00 34.34 C ATOM 132 CG MET A 21 9.614 -14.585 0.440 1.00 44.31 C ATOM 133 SD MET A 21 10.764 -15.972 0.367 1.00 33.15 S ATOM 134 CE MET A 21 10.216 -16.939 1.772 1.00 70.20 C ATOM 0 HA MET A 21 11.941 -13.259 1.392 1.00 44.43 H new ATOM 0 HB2 MET A 21 9.487 -12.568 -0.267 1.00 34.34 H new ATOM 0 HB3 MET A 21 10.913 -13.431 -0.810 1.00 34.34 H new ATOM 0 HG2 MET A 21 9.213 -14.503 1.450 1.00 44.31 H new ATOM 0 HG3 MET A 21 8.771 -14.781 -0.223 1.00 44.31 H new ATOM 0 HE1 MET A 21 10.832 -17.834 1.860 1.00 70.20 H new ATOM 0 HE2 MET A 21 10.307 -16.344 2.681 1.00 70.20 H new ATOM 0 HE3 MET A 21 9.175 -17.228 1.631 1.00 70.20 H new ATOM 144 N VAL A 22 10.660 -10.419 0.266 1.00 43.13 N ATOM 145 CA VAL A 22 11.008 -9.075 -0.182 1.00 30.52 C ATOM 146 C VAL A 22 9.924 -8.073 0.196 1.00 55.44 C ATOM 147 O VAL A 22 8.764 -8.440 0.388 1.00 42.40 O ATOM 148 CB VAL A 22 11.226 -9.030 -1.706 1.00 34.41 C ATOM 149 CG1 VAL A 22 11.866 -7.713 -2.115 1.00 41.23 C ATOM 150 CG2 VAL A 22 12.075 -10.209 -2.158 1.00 2.35 C ATOM 0 H VAL A 22 9.670 -10.649 0.181 1.00 43.13 H new ATOM 0 HA VAL A 22 11.938 -8.805 0.318 1.00 30.52 H new ATOM 0 HB VAL A 22 10.255 -9.102 -2.197 1.00 34.41 H new ATOM 0 HG11 VAL A 22 12.012 -7.700 -3.195 1.00 41.23 H new ATOM 0 HG12 VAL A 22 11.215 -6.887 -1.827 1.00 41.23 H new ATOM 0 HG13 VAL A 22 12.830 -7.607 -1.617 1.00 41.23 H new ATOM 0 HG21 VAL A 22 12.219 -10.161 -3.237 1.00 2.35 H new ATOM 0 HG22 VAL A 22 13.044 -10.171 -1.661 1.00 2.35 H new ATOM 0 HG23 VAL A 22 11.571 -11.140 -1.900 1.00 2.35 H new ATOM 160 N ARG A 23 10.308 -6.805 0.299 1.00 0.34 N ATOM 161 CA ARG A 23 9.368 -5.748 0.655 1.00 64.14 C ATOM 162 C ARG A 23 9.816 -4.407 0.080 1.00 75.12 C ATOM 163 O ARG A 23 11.009 -4.111 0.025 1.00 63.21 O ATOM 164 CB ARG A 23 9.236 -5.644 2.175 1.00 35.41 C ATOM 165 CG ARG A 23 10.399 -4.928 2.841 1.00 51.43 C ATOM 166 CD ARG A 23 10.016 -3.519 3.265 1.00 14.43 C ATOM 167 NE ARG A 23 8.877 -3.513 4.180 1.00 22.21 N ATOM 168 CZ ARG A 23 8.304 -2.404 4.633 1.00 55.01 C ATOM 169 NH1 ARG A 23 8.759 -1.217 4.257 1.00 24.02 N ATOM 170 NH2 ARG A 23 7.271 -2.481 5.463 1.00 42.20 N ATOM 0 H ARG A 23 11.263 -6.484 0.141 1.00 0.34 H new ATOM 0 HA ARG A 23 8.397 -6.001 0.230 1.00 64.14 H new ATOM 0 HB2 ARG A 23 8.312 -5.119 2.416 1.00 35.41 H new ATOM 0 HB3 ARG A 23 9.151 -6.647 2.593 1.00 35.41 H new ATOM 0 HG2 ARG A 23 10.726 -5.495 3.712 1.00 51.43 H new ATOM 0 HG3 ARG A 23 11.244 -4.885 2.153 1.00 51.43 H new ATOM 0 HD2 ARG A 23 10.869 -3.040 3.745 1.00 14.43 H new ATOM 0 HD3 ARG A 23 9.775 -2.928 2.382 1.00 14.43 H new ATOM 0 HE ARG A 23 8.501 -4.410 4.488 1.00 22.21 H new ATOM 0 HH11 ARG A 23 9.551 -1.154 3.618 1.00 24.02 H new ATOM 0 HH12 ARG A 23 8.317 -0.367 4.607 1.00 24.02 H new ATOM 0 HH21 ARG A 23 6.917 -3.392 5.753 1.00 42.20 H new ATOM 0 HH22 ARG A 23 6.831 -1.629 5.811 1.00 42.20 H new ATOM 184 N ARG A 24 8.849 -3.601 -0.348 1.00 5.23 N ATOM 185 CA ARG A 24 9.144 -2.293 -0.920 1.00 14.51 C ATOM 186 C ARG A 24 9.591 -1.314 0.162 1.00 11.02 C ATOM 187 O ARG A 24 8.806 -0.490 0.631 1.00 70.04 O ATOM 188 CB ARG A 24 7.914 -1.741 -1.645 1.00 24.23 C ATOM 189 CG ARG A 24 7.206 -2.770 -2.511 1.00 12.32 C ATOM 190 CD ARG A 24 6.970 -2.245 -3.919 1.00 22.14 C ATOM 191 NE ARG A 24 5.623 -2.546 -4.396 1.00 43.43 N ATOM 192 CZ ARG A 24 5.031 -1.888 -5.387 1.00 64.23 C ATOM 193 NH1 ARG A 24 5.665 -0.899 -6.002 1.00 74.05 N ATOM 194 NH2 ARG A 24 3.804 -2.220 -5.765 1.00 74.43 N ATOM 0 H ARG A 24 7.856 -3.831 -0.309 1.00 5.23 H new ATOM 0 HA ARG A 24 9.957 -2.413 -1.636 1.00 14.51 H new ATOM 0 HB2 ARG A 24 7.211 -1.354 -0.907 1.00 24.23 H new ATOM 0 HB3 ARG A 24 8.217 -0.900 -2.269 1.00 24.23 H new ATOM 0 HG2 ARG A 24 7.802 -3.681 -2.556 1.00 12.32 H new ATOM 0 HG3 ARG A 24 6.252 -3.036 -2.056 1.00 12.32 H new ATOM 0 HD2 ARG A 24 7.128 -1.167 -3.935 1.00 22.14 H new ATOM 0 HD3 ARG A 24 7.701 -2.684 -4.597 1.00 22.14 H new ATOM 0 HE ARG A 24 5.109 -3.302 -3.944 1.00 43.43 H new ATOM 0 HH11 ARG A 24 6.609 -0.642 -5.715 1.00 74.05 H new ATOM 0 HH12 ARG A 24 5.208 -0.395 -6.762 1.00 74.05 H new ATOM 0 HH21 ARG A 24 3.314 -2.981 -5.295 1.00 74.43 H new ATOM 0 HH22 ARG A 24 3.350 -1.714 -6.526 1.00 74.43 H new ATOM 208 N ALA A 25 10.857 -1.412 0.554 1.00 11.44 N ATOM 209 CA ALA A 25 11.409 -0.535 1.580 1.00 52.34 C ATOM 210 C ALA A 25 12.166 0.632 0.955 1.00 52.25 C ATOM 211 O ALA A 25 12.095 0.854 -0.254 1.00 70.14 O ATOM 212 CB ALA A 25 12.321 -1.320 2.511 1.00 52.14 C ATOM 0 H ALA A 25 11.520 -2.090 0.177 1.00 11.44 H new ATOM 0 HA ALA A 25 10.580 -0.128 2.159 1.00 52.34 H new ATOM 0 HB1 ALA A 25 12.726 -0.653 3.272 1.00 52.14 H new ATOM 0 HB2 ALA A 25 11.752 -2.116 2.992 1.00 52.14 H new ATOM 0 HB3 ALA A 25 13.139 -1.755 1.937 1.00 52.14 H new ATOM 218 N ARG A 26 12.889 1.375 1.786 1.00 40.54 N ATOM 219 CA ARG A 26 13.658 2.521 1.314 1.00 55.11 C ATOM 220 C ARG A 26 15.153 2.221 1.341 1.00 63.41 C ATOM 221 O ARG A 26 15.670 1.671 2.314 1.00 13.14 O ATOM 222 CB ARG A 26 13.358 3.751 2.172 1.00 1.43 C ATOM 223 CG ARG A 26 13.765 5.063 1.520 1.00 24.35 C ATOM 224 CD ARG A 26 12.579 5.751 0.864 1.00 33.32 C ATOM 225 NE ARG A 26 12.695 7.206 0.911 1.00 63.24 N ATOM 226 CZ ARG A 26 13.516 7.902 0.133 1.00 43.43 C ATOM 227 NH1 ARG A 26 14.288 7.280 -0.747 1.00 44.23 N ATOM 228 NH2 ARG A 26 13.566 9.225 0.234 1.00 73.40 N ATOM 0 H ARG A 26 12.959 1.204 2.789 1.00 40.54 H new ATOM 0 HA ARG A 26 13.365 2.724 0.284 1.00 55.11 H new ATOM 0 HB2 ARG A 26 12.290 3.779 2.390 1.00 1.43 H new ATOM 0 HB3 ARG A 26 13.876 3.653 3.126 1.00 1.43 H new ATOM 0 HG2 ARG A 26 14.201 5.723 2.270 1.00 24.35 H new ATOM 0 HG3 ARG A 26 14.537 4.875 0.773 1.00 24.35 H new ATOM 0 HD2 ARG A 26 12.501 5.427 -0.174 1.00 33.32 H new ATOM 0 HD3 ARG A 26 11.660 5.444 1.364 1.00 33.32 H new ATOM 0 HE ARG A 26 12.114 7.715 1.577 1.00 63.24 H new ATOM 0 HH11 ARG A 26 14.253 6.264 -0.828 1.00 44.23 H new ATOM 0 HH12 ARG A 26 14.917 7.818 -1.343 1.00 44.23 H new ATOM 0 HH21 ARG A 26 12.974 9.708 0.910 1.00 73.40 H new ATOM 0 HH22 ARG A 26 14.197 9.759 -0.364 1.00 73.40 H new ATOM 242 N CYS A 27 15.844 2.584 0.266 1.00 40.25 N ATOM 243 CA CYS A 27 17.280 2.353 0.164 1.00 11.42 C ATOM 244 C CYS A 27 18.042 3.675 0.128 1.00 21.14 C ATOM 245 O CYS A 27 17.568 4.662 -0.434 1.00 50.13 O ATOM 246 CB CYS A 27 17.599 1.534 -1.088 1.00 12.01 C ATOM 247 SG CYS A 27 16.555 0.055 -1.294 1.00 45.03 S ATOM 0 H CYS A 27 15.432 3.040 -0.548 1.00 40.25 H new ATOM 0 HA CYS A 27 17.596 1.795 1.045 1.00 11.42 H new ATOM 0 HB2 CYS A 27 17.485 2.171 -1.965 1.00 12.01 H new ATOM 0 HB3 CYS A 27 18.644 1.226 -1.051 1.00 12.01 H new ATOM 252 N TYR A 28 19.225 3.685 0.732 1.00 1.53 N ATOM 253 CA TYR A 28 20.052 4.885 0.772 1.00 45.42 C ATOM 254 C TYR A 28 21.527 4.537 0.591 1.00 73.12 C ATOM 255 O TYR A 28 21.982 3.449 0.945 1.00 2.42 O ATOM 256 CB TYR A 28 19.851 5.626 2.095 1.00 53.12 C ATOM 257 CG TYR A 28 20.195 4.797 3.311 1.00 11.15 C ATOM 258 CD1 TYR A 28 21.518 4.561 3.664 1.00 42.13 C ATOM 259 CD2 TYR A 28 19.197 4.249 4.108 1.00 4.02 C ATOM 260 CE1 TYR A 28 21.838 3.804 4.774 1.00 33.30 C ATOM 261 CE2 TYR A 28 19.507 3.492 5.221 1.00 25.31 C ATOM 262 CZ TYR A 28 20.829 3.272 5.550 1.00 71.43 C ATOM 263 OH TYR A 28 21.142 2.517 6.657 1.00 71.53 O ATOM 0 H TYR A 28 19.633 2.876 1.200 1.00 1.53 H new ATOM 0 HA TYR A 28 19.746 5.533 -0.050 1.00 45.42 H new ATOM 0 HB2 TYR A 28 20.465 6.527 2.094 1.00 53.12 H new ATOM 0 HB3 TYR A 28 18.812 5.948 2.167 1.00 53.12 H new ATOM 0 HD1 TYR A 28 22.310 4.977 3.059 1.00 42.13 H new ATOM 0 HD2 TYR A 28 18.161 4.418 3.853 1.00 4.02 H new ATOM 0 HE1 TYR A 28 22.872 3.630 5.033 1.00 33.30 H new ATOM 0 HE2 TYR A 28 18.719 3.075 5.830 1.00 25.31 H new ATOM 0 HH TYR A 28 21.995 2.822 7.031 1.00 71.53 H new ATOM 273 N PRO A 29 22.292 5.483 0.026 1.00 60.42 N ATOM 274 CA PRO A 29 23.727 5.301 -0.215 1.00 34.34 C ATOM 275 C PRO A 29 24.533 5.282 1.079 1.00 5.21 C ATOM 276 O PRO A 29 24.653 6.299 1.764 1.00 74.20 O ATOM 277 CB PRO A 29 24.102 6.520 -1.061 1.00 74.53 C ATOM 278 CG PRO A 29 23.087 7.552 -0.709 1.00 42.11 C ATOM 279 CD PRO A 29 21.816 6.802 -0.421 1.00 51.42 C ATOM 0 HA PRO A 29 23.942 4.348 -0.698 1.00 34.34 H new ATOM 0 HB2 PRO A 29 25.111 6.864 -0.834 1.00 74.53 H new ATOM 0 HB3 PRO A 29 24.076 6.286 -2.125 1.00 74.53 H new ATOM 0 HG2 PRO A 29 23.404 8.131 0.159 1.00 42.11 H new ATOM 0 HG3 PRO A 29 22.947 8.257 -1.528 1.00 42.11 H new ATOM 0 HD2 PRO A 29 21.223 7.297 0.348 1.00 51.42 H new ATOM 0 HD3 PRO A 29 21.187 6.723 -1.307 1.00 51.42 H new ATOM 287 N THR A 30 25.087 4.120 1.409 1.00 24.53 N ATOM 288 CA THR A 30 25.883 3.969 2.621 1.00 34.52 C ATOM 289 C THR A 30 27.198 4.731 2.514 1.00 1.23 C ATOM 290 O THR A 30 27.395 5.745 3.185 1.00 64.53 O ATOM 291 CB THR A 30 26.184 2.487 2.915 1.00 72.35 C ATOM 292 OG1 THR A 30 25.076 1.673 2.514 1.00 33.10 O ATOM 293 CG2 THR A 30 26.467 2.275 4.394 1.00 34.51 C ATOM 0 H THR A 30 24.999 3.269 0.854 1.00 24.53 H new ATOM 0 HA THR A 30 25.293 4.382 3.439 1.00 34.52 H new ATOM 0 HB THR A 30 27.069 2.200 2.348 1.00 72.35 H new ATOM 0 HG1 THR A 30 25.276 0.732 2.703 1.00 33.10 H new ATOM 0 HG21 THR A 30 26.677 1.221 4.577 1.00 34.51 H new ATOM 0 HG22 THR A 30 27.329 2.873 4.689 1.00 34.51 H new ATOM 0 HG23 THR A 30 25.598 2.579 4.978 1.00 34.51 H new ATOM 301 N SER A 31 28.095 4.238 1.667 1.00 44.34 N ATOM 302 CA SER A 31 29.394 4.872 1.474 1.00 3.32 C ATOM 303 C SER A 31 29.488 5.511 0.092 1.00 53.02 C ATOM 304 O SER A 31 28.715 5.185 -0.808 1.00 14.11 O ATOM 305 CB SER A 31 30.517 3.848 1.652 1.00 12.11 C ATOM 306 OG SER A 31 30.943 3.788 3.002 1.00 34.43 O ATOM 0 H SER A 31 27.946 3.401 1.103 1.00 44.34 H new ATOM 0 HA SER A 31 29.503 5.655 2.225 1.00 3.32 H new ATOM 0 HB2 SER A 31 30.171 2.865 1.333 1.00 12.11 H new ATOM 0 HB3 SER A 31 31.359 4.113 1.013 1.00 12.11 H new ATOM 0 HG SER A 31 31.660 3.125 3.090 1.00 34.43 H new ATOM 312 N ASN A 32 30.441 6.423 -0.068 1.00 52.45 N ATOM 313 CA ASN A 32 30.636 7.109 -1.341 1.00 1.34 C ATOM 314 C ASN A 32 30.754 6.108 -2.486 1.00 10.41 C ATOM 315 O ASN A 32 30.086 6.241 -3.511 1.00 1.11 O ATOM 316 CB ASN A 32 31.889 7.986 -1.284 1.00 14.32 C ATOM 317 CG ASN A 32 31.566 9.464 -1.397 1.00 34.31 C ATOM 318 OD1 ASN A 32 31.517 10.017 -2.495 1.00 52.53 O ATOM 319 ND2 ASN A 32 31.343 10.109 -0.258 1.00 44.40 N ATOM 0 H ASN A 32 31.090 6.704 0.667 1.00 52.45 H new ATOM 0 HA ASN A 32 29.766 7.740 -1.522 1.00 1.34 H new ATOM 0 HB2 ASN A 32 32.415 7.802 -0.347 1.00 14.32 H new ATOM 0 HB3 ASN A 32 32.565 7.702 -2.090 1.00 14.32 H new ATOM 0 HD21 ASN A 32 31.120 11.104 -0.271 1.00 44.40 H new ATOM 0 HD22 ASN A 32 31.394 9.609 0.630 1.00 44.40 H new ATOM 326 N ALA A 33 31.608 5.106 -2.303 1.00 52.42 N ATOM 327 CA ALA A 33 31.811 4.081 -3.319 1.00 44.44 C ATOM 328 C ALA A 33 30.951 2.854 -3.041 1.00 30.41 C ATOM 329 O ALA A 33 30.166 2.427 -3.889 1.00 23.44 O ATOM 330 CB ALA A 33 33.281 3.693 -3.391 1.00 11.44 C ATOM 0 H ALA A 33 32.170 4.983 -1.461 1.00 52.42 H new ATOM 0 HA ALA A 33 31.508 4.494 -4.281 1.00 44.44 H new ATOM 0 HB1 ALA A 33 33.418 2.927 -4.154 1.00 11.44 H new ATOM 0 HB2 ALA A 33 33.877 4.570 -3.646 1.00 11.44 H new ATOM 0 HB3 ALA A 33 33.603 3.305 -2.425 1.00 11.44 H new ATOM 336 N THR A 34 31.103 2.288 -1.847 1.00 42.23 N ATOM 337 CA THR A 34 30.342 1.108 -1.458 1.00 13.22 C ATOM 338 C THR A 34 30.692 0.671 -0.040 1.00 15.52 C ATOM 339 O THR A 34 31.862 0.638 0.338 1.00 34.23 O ATOM 340 CB THR A 34 30.594 -0.067 -2.422 1.00 10.44 C ATOM 341 OG1 THR A 34 30.123 -1.287 -1.840 1.00 21.32 O ATOM 342 CG2 THR A 34 32.075 -0.192 -2.746 1.00 51.33 C ATOM 0 H THR A 34 31.747 2.629 -1.133 1.00 42.23 H new ATOM 0 HA THR A 34 29.288 1.384 -1.501 1.00 13.22 H new ATOM 0 HB THR A 34 30.051 0.127 -3.347 1.00 10.44 H new ATOM 0 HG1 THR A 34 29.192 -1.439 -2.107 1.00 21.32 H new ATOM 0 HG21 THR A 34 32.229 -1.028 -3.428 1.00 51.33 H new ATOM 0 HG22 THR A 34 32.424 0.728 -3.215 1.00 51.33 H new ATOM 0 HG23 THR A 34 32.635 -0.366 -1.827 1.00 51.33 H new ATOM 350 N ASN A 35 29.669 0.337 0.741 1.00 70.14 N ATOM 351 CA ASN A 35 29.869 -0.098 2.118 1.00 22.30 C ATOM 352 C ASN A 35 30.746 -1.346 2.172 1.00 12.13 C ATOM 353 O ASN A 35 30.765 -2.147 1.237 1.00 13.11 O ATOM 354 CB ASN A 35 28.522 -0.378 2.787 1.00 21.43 C ATOM 355 CG ASN A 35 28.599 -0.295 4.299 1.00 3.55 C ATOM 356 OD1 ASN A 35 29.657 -0.016 4.864 1.00 44.44 O ATOM 357 ND2 ASN A 35 27.475 -0.537 4.963 1.00 1.34 N ATOM 0 H ASN A 35 28.694 0.359 0.443 1.00 70.14 H new ATOM 0 HA ASN A 35 30.375 0.704 2.656 1.00 22.30 H new ATOM 0 HB2 ASN A 35 27.784 0.337 2.424 1.00 21.43 H new ATOM 0 HB3 ASN A 35 28.175 -1.370 2.498 1.00 21.43 H new ATOM 0 HD21 ASN A 35 27.466 -0.495 5.982 1.00 1.34 H new ATOM 0 HD22 ASN A 35 26.621 -0.764 4.454 1.00 1.34 H new ATOM 364 N THR A 36 31.471 -1.505 3.275 1.00 64.31 N ATOM 365 CA THR A 36 32.351 -2.654 3.452 1.00 75.11 C ATOM 366 C THR A 36 31.937 -3.482 4.663 1.00 15.22 C ATOM 367 O THR A 36 31.325 -2.967 5.600 1.00 71.20 O ATOM 368 CB THR A 36 33.818 -2.218 3.620 1.00 42.22 C ATOM 369 OG1 THR A 36 34.030 -0.955 2.979 1.00 3.11 O ATOM 370 CG2 THR A 36 34.762 -3.256 3.031 1.00 10.42 C ATOM 0 H THR A 36 31.466 -0.853 4.059 1.00 64.31 H new ATOM 0 HA THR A 36 32.262 -3.262 2.552 1.00 75.11 H new ATOM 0 HB THR A 36 34.026 -2.124 4.686 1.00 42.22 H new ATOM 0 HG1 THR A 36 34.965 -0.684 3.092 1.00 3.11 H new ATOM 0 HG21 THR A 36 35.793 -2.926 3.161 1.00 10.42 H new ATOM 0 HG22 THR A 36 34.619 -4.209 3.541 1.00 10.42 H new ATOM 0 HG23 THR A 36 34.552 -3.378 1.968 1.00 10.42 H new ATOM 378 N CYS A 37 32.274 -4.767 4.639 1.00 11.23 N ATOM 379 CA CYS A 37 31.938 -5.667 5.736 1.00 53.22 C ATOM 380 C CYS A 37 33.066 -6.662 5.988 1.00 24.20 C ATOM 381 O CYS A 37 33.433 -7.438 5.105 1.00 23.24 O ATOM 382 CB CYS A 37 30.640 -6.417 5.428 1.00 64.22 C ATOM 383 SG CYS A 37 30.263 -7.761 6.598 1.00 11.14 S ATOM 0 H CYS A 37 32.780 -5.209 3.871 1.00 11.23 H new ATOM 0 HA CYS A 37 31.799 -5.068 6.636 1.00 53.22 H new ATOM 0 HB2 CYS A 37 29.813 -5.706 5.429 1.00 64.22 H new ATOM 0 HB3 CYS A 37 30.703 -6.832 4.422 1.00 64.22 H new ATOM 388 N PHE A 38 33.613 -6.634 7.199 1.00 30.00 N ATOM 389 CA PHE A 38 34.700 -7.533 7.568 1.00 3.11 C ATOM 390 C PHE A 38 35.809 -7.505 6.520 1.00 51.31 C ATOM 391 O PHE A 38 36.125 -8.524 5.908 1.00 44.23 O ATOM 392 CB PHE A 38 34.176 -8.961 7.734 1.00 40.20 C ATOM 393 CG PHE A 38 33.526 -9.210 9.065 1.00 52.31 C ATOM 394 CD1 PHE A 38 33.118 -8.151 9.860 1.00 32.34 C ATOM 395 CD2 PHE A 38 33.323 -10.502 9.521 1.00 61.54 C ATOM 396 CE1 PHE A 38 32.519 -8.377 11.085 1.00 12.15 C ATOM 397 CE2 PHE A 38 32.724 -10.734 10.745 1.00 63.25 C ATOM 398 CZ PHE A 38 32.323 -9.670 11.528 1.00 32.24 C ATOM 0 H PHE A 38 33.321 -5.998 7.941 1.00 30.00 H new ATOM 0 HA PHE A 38 35.113 -7.192 8.518 1.00 3.11 H new ATOM 0 HB2 PHE A 38 33.456 -9.170 6.942 1.00 40.20 H new ATOM 0 HB3 PHE A 38 35.002 -9.660 7.606 1.00 40.20 H new ATOM 0 HD1 PHE A 38 33.270 -7.138 9.519 1.00 32.34 H new ATOM 0 HD2 PHE A 38 33.636 -11.338 8.913 1.00 61.54 H new ATOM 0 HE1 PHE A 38 32.205 -7.543 11.695 1.00 12.15 H new ATOM 0 HE2 PHE A 38 32.570 -11.746 11.088 1.00 63.25 H new ATOM 0 HZ PHE A 38 31.857 -9.849 12.486 1.00 32.24 H new ATOM 408 N GLY A 39 36.395 -6.328 6.318 1.00 21.44 N ATOM 409 CA GLY A 39 37.461 -6.188 5.344 1.00 61.03 C ATOM 410 C GLY A 39 37.080 -6.740 3.984 1.00 10.23 C ATOM 411 O GLY A 39 37.940 -7.184 3.224 1.00 31.40 O ATOM 0 H GLY A 39 36.150 -5.470 6.812 1.00 21.44 H new ATOM 0 HA2 GLY A 39 37.722 -5.134 5.245 1.00 61.03 H new ATOM 0 HA3 GLY A 39 38.350 -6.704 5.706 1.00 61.03 H new ATOM 415 N SER A 40 35.787 -6.713 3.678 1.00 51.13 N ATOM 416 CA SER A 40 35.293 -7.219 2.403 1.00 71.43 C ATOM 417 C SER A 40 34.168 -6.339 1.868 1.00 75.23 C ATOM 418 O SER A 40 33.035 -6.398 2.348 1.00 62.13 O ATOM 419 CB SER A 40 34.799 -8.659 2.558 1.00 25.25 C ATOM 420 OG SER A 40 35.689 -9.420 3.357 1.00 2.43 O ATOM 0 H SER A 40 35.063 -6.346 4.295 1.00 51.13 H new ATOM 0 HA SER A 40 36.117 -7.200 1.689 1.00 71.43 H new ATOM 0 HB2 SER A 40 33.807 -8.660 3.011 1.00 25.25 H new ATOM 0 HB3 SER A 40 34.701 -9.121 1.576 1.00 25.25 H new ATOM 0 HG SER A 40 35.647 -9.105 4.284 1.00 2.43 H new ATOM 426 N LYS A 41 34.487 -5.522 0.870 1.00 64.43 N ATOM 427 CA LYS A 41 33.505 -4.629 0.266 1.00 22.45 C ATOM 428 C LYS A 41 32.279 -5.406 -0.203 1.00 23.32 C ATOM 429 O LYS A 41 32.401 -6.432 -0.873 1.00 61.34 O ATOM 430 CB LYS A 41 34.126 -3.876 -0.912 1.00 4.12 C ATOM 431 CG LYS A 41 35.324 -3.026 -0.526 1.00 45.44 C ATOM 432 CD LYS A 41 35.932 -2.337 -1.737 1.00 63.20 C ATOM 433 CE LYS A 41 35.069 -1.179 -2.211 1.00 54.45 C ATOM 434 NZ LYS A 41 35.861 0.070 -2.382 1.00 42.44 N ATOM 0 H LYS A 41 35.420 -5.460 0.462 1.00 64.43 H new ATOM 0 HA LYS A 41 33.190 -3.911 1.023 1.00 22.45 H new ATOM 0 HB2 LYS A 41 34.431 -4.595 -1.672 1.00 4.12 H new ATOM 0 HB3 LYS A 41 33.368 -3.237 -1.364 1.00 4.12 H new ATOM 0 HG2 LYS A 41 35.020 -2.277 0.205 1.00 45.44 H new ATOM 0 HG3 LYS A 41 36.076 -3.652 -0.047 1.00 45.44 H new ATOM 0 HD2 LYS A 41 36.928 -1.971 -1.487 1.00 63.20 H new ATOM 0 HD3 LYS A 41 36.051 -3.058 -2.546 1.00 63.20 H new ATOM 0 HE2 LYS A 41 34.597 -1.442 -3.158 1.00 54.45 H new ATOM 0 HE3 LYS A 41 34.268 -1.005 -1.493 1.00 54.45 H new ATOM 0 HZ1 LYS A 41 35.236 0.836 -2.706 1.00 42.44 H new ATOM 0 HZ2 LYS A 41 36.291 0.335 -1.473 1.00 42.44 H new ATOM 0 HZ3 LYS A 41 36.610 -0.087 -3.086 1.00 42.44 H new ATOM 448 N LEU A 42 31.099 -4.911 0.152 1.00 0.23 N ATOM 449 CA LEU A 42 29.850 -5.558 -0.234 1.00 50.10 C ATOM 450 C LEU A 42 29.559 -5.340 -1.716 1.00 24.25 C ATOM 451 O LEU A 42 30.017 -4.375 -2.328 1.00 13.23 O ATOM 452 CB LEU A 42 28.692 -5.020 0.609 1.00 62.32 C ATOM 453 CG LEU A 42 28.743 -5.343 2.103 1.00 50.04 C ATOM 454 CD1 LEU A 42 29.227 -6.767 2.325 1.00 64.32 C ATOM 455 CD2 LEU A 42 29.639 -4.353 2.832 1.00 44.11 C ATOM 0 H LEU A 42 30.981 -4.063 0.707 1.00 0.23 H new ATOM 0 HA LEU A 42 29.954 -6.628 -0.056 1.00 50.10 H new ATOM 0 HB2 LEU A 42 28.657 -3.937 0.493 1.00 62.32 H new ATOM 0 HB3 LEU A 42 27.760 -5.414 0.204 1.00 62.32 H new ATOM 0 HG LEU A 42 27.735 -5.257 2.509 1.00 50.04 H new ATOM 0 HD11 LEU A 42 29.257 -6.979 3.394 1.00 64.32 H new ATOM 0 HD12 LEU A 42 28.546 -7.463 1.836 1.00 64.32 H new ATOM 0 HD13 LEU A 42 30.226 -6.881 1.905 1.00 64.32 H new ATOM 0 HD21 LEU A 42 29.664 -4.598 3.894 1.00 44.11 H new ATOM 0 HD22 LEU A 42 30.648 -4.407 2.424 1.00 44.11 H new ATOM 0 HD23 LEU A 42 29.248 -3.344 2.701 1.00 44.11 H new ATOM 467 N PRO A 43 28.779 -6.257 -2.307 1.00 20.03 N ATOM 468 CA PRO A 43 28.407 -6.186 -3.723 1.00 3.41 C ATOM 469 C PRO A 43 27.446 -5.038 -4.013 1.00 3.32 C ATOM 470 O PRO A 43 27.134 -4.754 -5.169 1.00 74.24 O ATOM 471 CB PRO A 43 27.725 -7.532 -3.979 1.00 2.20 C ATOM 472 CG PRO A 43 27.213 -7.957 -2.646 1.00 42.40 C ATOM 473 CD PRO A 43 28.199 -7.434 -1.638 1.00 11.30 C ATOM 0 HA PRO A 43 29.270 -6.002 -4.362 1.00 3.41 H new ATOM 0 HB2 PRO A 43 26.915 -7.434 -4.701 1.00 2.20 H new ATOM 0 HB3 PRO A 43 28.427 -8.261 -4.384 1.00 2.20 H new ATOM 0 HG2 PRO A 43 26.217 -7.553 -2.464 1.00 42.40 H new ATOM 0 HG3 PRO A 43 27.133 -9.042 -2.587 1.00 42.40 H new ATOM 0 HD2 PRO A 43 27.711 -7.164 -0.701 1.00 11.30 H new ATOM 0 HD3 PRO A 43 28.961 -8.176 -1.398 1.00 11.30 H new ATOM 481 N TYR A 44 26.981 -4.381 -2.956 1.00 44.52 N ATOM 482 CA TYR A 44 26.054 -3.264 -3.098 1.00 21.33 C ATOM 483 C TYR A 44 26.592 -2.018 -2.402 1.00 13.34 C ATOM 484 O TYR A 44 27.653 -2.051 -1.779 1.00 54.30 O ATOM 485 CB TYR A 44 24.686 -3.634 -2.521 1.00 63.03 C ATOM 486 CG TYR A 44 24.758 -4.620 -1.377 1.00 71.24 C ATOM 487 CD1 TYR A 44 25.193 -4.224 -0.119 1.00 31.23 C ATOM 488 CD2 TYR A 44 24.389 -5.948 -1.555 1.00 63.13 C ATOM 489 CE1 TYR A 44 25.261 -5.122 0.929 1.00 74.22 C ATOM 490 CE2 TYR A 44 24.452 -6.853 -0.513 1.00 2.30 C ATOM 491 CZ TYR A 44 24.889 -6.435 0.727 1.00 70.01 C ATOM 492 OH TYR A 44 24.954 -7.332 1.768 1.00 34.23 O ATOM 0 H TYR A 44 27.231 -4.602 -1.992 1.00 44.52 H new ATOM 0 HA TYR A 44 25.946 -3.046 -4.161 1.00 21.33 H new ATOM 0 HB2 TYR A 44 24.189 -2.727 -2.177 1.00 63.03 H new ATOM 0 HB3 TYR A 44 24.068 -4.055 -3.314 1.00 63.03 H new ATOM 0 HD1 TYR A 44 25.483 -3.196 0.043 1.00 31.23 H new ATOM 0 HD2 TYR A 44 24.047 -6.278 -2.525 1.00 63.13 H new ATOM 0 HE1 TYR A 44 25.603 -4.798 1.901 1.00 74.22 H new ATOM 0 HE2 TYR A 44 24.161 -7.881 -0.668 1.00 2.30 H new ATOM 0 HH TYR A 44 24.422 -6.999 2.520 1.00 34.23 H new ATOM 502 N GLU A 45 25.850 -0.920 -2.512 1.00 43.11 N ATOM 503 CA GLU A 45 26.252 0.338 -1.894 1.00 2.04 C ATOM 504 C GLU A 45 25.051 1.050 -1.278 1.00 21.45 C ATOM 505 O GLU A 45 25.138 2.215 -0.888 1.00 21.25 O ATOM 506 CB GLU A 45 26.924 1.247 -2.925 1.00 12.32 C ATOM 507 CG GLU A 45 25.956 1.841 -3.935 1.00 21.03 C ATOM 508 CD GLU A 45 26.596 2.071 -5.290 1.00 52.21 C ATOM 509 OE1 GLU A 45 26.739 1.093 -6.053 1.00 53.32 O ATOM 510 OE2 GLU A 45 26.953 3.230 -5.587 1.00 43.45 O ATOM 0 H GLU A 45 24.968 -0.877 -3.023 1.00 43.11 H new ATOM 0 HA GLU A 45 26.965 0.112 -1.101 1.00 2.04 H new ATOM 0 HB2 GLU A 45 27.435 2.057 -2.405 1.00 12.32 H new ATOM 0 HB3 GLU A 45 27.687 0.678 -3.456 1.00 12.32 H new ATOM 0 HG2 GLU A 45 25.101 1.174 -4.049 1.00 21.03 H new ATOM 0 HG3 GLU A 45 25.573 2.787 -3.553 1.00 21.03 H new ATOM 517 N LEU A 46 23.931 0.341 -1.194 1.00 15.13 N ATOM 518 CA LEU A 46 22.710 0.904 -0.626 1.00 23.24 C ATOM 519 C LEU A 46 22.295 0.146 0.631 1.00 74.30 C ATOM 520 O LEU A 46 22.691 -1.002 0.835 1.00 11.44 O ATOM 521 CB LEU A 46 21.580 0.865 -1.656 1.00 11.45 C ATOM 522 CG LEU A 46 21.669 1.889 -2.788 1.00 71.32 C ATOM 523 CD1 LEU A 46 20.579 1.640 -3.819 1.00 71.12 C ATOM 524 CD2 LEU A 46 21.571 3.304 -2.237 1.00 64.13 C ATOM 0 H LEU A 46 23.842 -0.624 -1.512 1.00 15.13 H new ATOM 0 HA LEU A 46 22.909 1.941 -0.354 1.00 23.24 H new ATOM 0 HB2 LEU A 46 21.551 -0.132 -2.096 1.00 11.45 H new ATOM 0 HB3 LEU A 46 20.634 1.011 -1.134 1.00 11.45 H new ATOM 0 HG LEU A 46 22.637 1.778 -3.277 1.00 71.32 H new ATOM 0 HD11 LEU A 46 20.658 2.378 -4.617 1.00 71.12 H new ATOM 0 HD12 LEU A 46 20.695 0.640 -4.237 1.00 71.12 H new ATOM 0 HD13 LEU A 46 19.602 1.723 -3.343 1.00 71.12 H new ATOM 0 HD21 LEU A 46 21.636 4.019 -3.057 1.00 64.13 H new ATOM 0 HD22 LEU A 46 20.619 3.429 -1.722 1.00 64.13 H new ATOM 0 HD23 LEU A 46 22.388 3.479 -1.537 1.00 64.13 H new ATOM 536 N SER A 47 21.492 0.794 1.469 1.00 41.21 N ATOM 537 CA SER A 47 21.023 0.182 2.707 1.00 65.14 C ATOM 538 C SER A 47 19.616 0.661 3.051 1.00 65.11 C ATOM 539 O SER A 47 19.206 1.752 2.656 1.00 43.21 O ATOM 540 CB SER A 47 21.980 0.507 3.855 1.00 24.32 C ATOM 541 OG SER A 47 21.315 0.449 5.105 1.00 10.40 O ATOM 0 H SER A 47 21.152 1.743 1.313 1.00 41.21 H new ATOM 0 HA SER A 47 20.994 -0.898 2.562 1.00 65.14 H new ATOM 0 HB2 SER A 47 22.812 -0.197 3.849 1.00 24.32 H new ATOM 0 HB3 SER A 47 22.403 1.501 3.710 1.00 24.32 H new ATOM 0 HG SER A 47 21.557 1.233 5.641 1.00 10.40 H new ATOM 547 N SER A 48 18.882 -0.164 3.790 1.00 13.01 N ATOM 548 CA SER A 48 17.519 0.172 4.185 1.00 11.33 C ATOM 549 C SER A 48 17.368 0.133 5.703 1.00 70.21 C ATOM 550 O SER A 48 17.482 -0.926 6.323 1.00 52.33 O ATOM 551 CB SER A 48 16.525 -0.793 3.537 1.00 15.12 C ATOM 552 OG SER A 48 15.253 -0.708 4.158 1.00 63.34 O ATOM 0 H SER A 48 19.208 -1.070 4.127 1.00 13.01 H new ATOM 0 HA SER A 48 17.307 1.185 3.842 1.00 11.33 H new ATOM 0 HB2 SER A 48 16.431 -0.565 2.475 1.00 15.12 H new ATOM 0 HB3 SER A 48 16.902 -1.813 3.611 1.00 15.12 H new ATOM 0 HG SER A 48 14.800 0.110 3.865 1.00 63.34 H new ATOM 558 N LEU A 49 17.111 1.293 6.296 1.00 40.42 N ATOM 559 CA LEU A 49 16.944 1.394 7.742 1.00 70.44 C ATOM 560 C LEU A 49 15.780 0.530 8.216 1.00 15.33 C ATOM 561 O LEU A 49 15.720 0.137 9.382 1.00 54.45 O ATOM 562 CB LEU A 49 16.713 2.850 8.148 1.00 30.04 C ATOM 563 CG LEU A 49 17.697 3.427 9.167 1.00 61.51 C ATOM 564 CD1 LEU A 49 17.424 2.861 10.552 1.00 23.00 C ATOM 565 CD2 LEU A 49 19.131 3.140 8.745 1.00 73.04 C ATOM 0 H LEU A 49 17.014 2.178 5.798 1.00 40.42 H new ATOM 0 HA LEU A 49 17.857 1.033 8.215 1.00 70.44 H new ATOM 0 HB2 LEU A 49 16.748 3.467 7.250 1.00 30.04 H new ATOM 0 HB3 LEU A 49 15.706 2.937 8.556 1.00 30.04 H new ATOM 0 HG LEU A 49 17.560 4.508 9.205 1.00 61.51 H new ATOM 0 HD11 LEU A 49 18.134 3.283 11.264 1.00 23.00 H new ATOM 0 HD12 LEU A 49 16.409 3.117 10.856 1.00 23.00 H new ATOM 0 HD13 LEU A 49 17.533 1.777 10.530 1.00 23.00 H new ATOM 0 HD21 LEU A 49 19.818 3.558 9.481 1.00 73.04 H new ATOM 0 HD22 LEU A 49 19.282 2.063 8.678 1.00 73.04 H new ATOM 0 HD23 LEU A 49 19.322 3.594 7.773 1.00 73.04 H new ATOM 577 N ASP A 50 14.858 0.237 7.306 1.00 53.12 N ATOM 578 CA ASP A 50 13.696 -0.583 7.630 1.00 2.13 C ATOM 579 C ASP A 50 14.123 -1.982 8.064 1.00 53.12 C ATOM 580 O ASP A 50 13.465 -2.615 8.891 1.00 2.42 O ATOM 581 CB ASP A 50 12.756 -0.673 6.427 1.00 44.41 C ATOM 582 CG ASP A 50 11.301 -0.788 6.836 1.00 22.32 C ATOM 583 OD1 ASP A 50 10.746 0.210 7.341 1.00 61.14 O ATOM 584 OD2 ASP A 50 10.718 -1.877 6.653 1.00 73.42 O ATOM 0 H ASP A 50 14.892 0.555 6.337 1.00 53.12 H new ATOM 0 HA ASP A 50 13.168 -0.110 8.458 1.00 2.13 H new ATOM 0 HB2 ASP A 50 12.886 0.210 5.802 1.00 44.41 H new ATOM 0 HB3 ASP A 50 13.029 -1.536 5.820 1.00 44.41 H new ATOM 589 N LEU A 51 15.226 -2.460 7.499 1.00 1.22 N ATOM 590 CA LEU A 51 15.741 -3.785 7.826 1.00 35.23 C ATOM 591 C LEU A 51 16.111 -3.876 9.303 1.00 21.22 C ATOM 592 O LEU A 51 16.261 -4.969 9.851 1.00 12.13 O ATOM 593 CB LEU A 51 16.961 -4.108 6.962 1.00 55.01 C ATOM 594 CG LEU A 51 17.166 -5.583 6.616 1.00 64.04 C ATOM 595 CD1 LEU A 51 17.208 -5.777 5.108 1.00 50.43 C ATOM 596 CD2 LEU A 51 18.442 -6.109 7.258 1.00 51.31 C ATOM 0 H LEU A 51 15.781 -1.950 6.812 1.00 1.22 H new ATOM 0 HA LEU A 51 14.956 -4.513 7.621 1.00 35.23 H new ATOM 0 HB2 LEU A 51 16.882 -3.545 6.032 1.00 55.01 H new ATOM 0 HB3 LEU A 51 17.852 -3.749 7.478 1.00 55.01 H new ATOM 0 HG LEU A 51 16.323 -6.149 7.012 1.00 64.04 H new ATOM 0 HD11 LEU A 51 17.355 -6.833 4.881 1.00 50.43 H new ATOM 0 HD12 LEU A 51 16.268 -5.439 4.671 1.00 50.43 H new ATOM 0 HD13 LEU A 51 18.031 -5.198 4.689 1.00 50.43 H new ATOM 0 HD21 LEU A 51 18.572 -7.160 7.001 1.00 51.31 H new ATOM 0 HD22 LEU A 51 19.295 -5.538 6.892 1.00 51.31 H new ATOM 0 HD23 LEU A 51 18.374 -6.006 8.341 1.00 51.31 H new ATOM 608 N THR A 52 16.256 -2.720 9.944 1.00 31.51 N ATOM 609 CA THR A 52 16.608 -2.669 11.358 1.00 74.25 C ATOM 610 C THR A 52 15.637 -1.787 12.134 1.00 33.10 C ATOM 611 O THR A 52 14.670 -1.269 11.574 1.00 23.03 O ATOM 612 CB THR A 52 18.040 -2.140 11.561 1.00 13.32 C ATOM 613 OG1 THR A 52 18.334 -1.135 10.584 1.00 23.22 O ATOM 614 CG2 THR A 52 19.054 -3.269 11.457 1.00 50.30 C ATOM 0 H THR A 52 16.135 -1.807 9.506 1.00 31.51 H new ATOM 0 HA THR A 52 16.549 -3.690 11.736 1.00 74.25 H new ATOM 0 HB THR A 52 18.105 -1.706 12.559 1.00 13.32 H new ATOM 0 HG1 THR A 52 18.866 -1.528 9.861 1.00 23.22 H new ATOM 0 HG21 THR A 52 20.058 -2.871 11.604 1.00 50.30 H new ATOM 0 HG22 THR A 52 18.845 -4.017 12.221 1.00 50.30 H new ATOM 0 HG23 THR A 52 18.987 -3.729 10.471 1.00 50.30 H new ATOM 622 N ASP A 53 15.900 -1.620 13.425 1.00 11.03 N ATOM 623 CA ASP A 53 15.050 -0.798 14.279 1.00 74.31 C ATOM 624 C ASP A 53 15.845 0.347 14.898 1.00 64.33 C ATOM 625 O ASP A 53 16.199 0.305 16.076 1.00 21.23 O ATOM 626 CB ASP A 53 14.420 -1.652 15.381 1.00 55.24 C ATOM 627 CG ASP A 53 13.104 -1.081 15.874 1.00 25.51 C ATOM 628 OD1 ASP A 53 13.101 0.071 16.354 1.00 40.43 O ATOM 629 OD2 ASP A 53 12.079 -1.788 15.782 1.00 72.24 O ATOM 0 H ASP A 53 16.695 -2.043 13.904 1.00 11.03 H new ATOM 0 HA ASP A 53 14.259 -0.374 13.661 1.00 74.31 H new ATOM 0 HB2 ASP A 53 14.257 -2.662 15.005 1.00 55.24 H new ATOM 0 HB3 ASP A 53 15.115 -1.731 16.217 1.00 55.24 H new ATOM 634 N PHE A 54 16.125 1.368 14.095 1.00 54.12 N ATOM 635 CA PHE A 54 16.881 2.524 14.563 1.00 74.01 C ATOM 636 C PHE A 54 16.192 3.824 14.158 1.00 44.21 C ATOM 637 O PHE A 54 15.081 3.813 13.628 1.00 33.33 O ATOM 638 CB PHE A 54 18.304 2.491 14.002 1.00 74.35 C ATOM 639 CG PHE A 54 19.084 1.277 14.419 1.00 44.33 C ATOM 640 CD1 PHE A 54 19.540 1.144 15.721 1.00 51.25 C ATOM 641 CD2 PHE A 54 19.362 0.269 13.509 1.00 2.54 C ATOM 642 CE1 PHE A 54 20.259 0.029 16.107 1.00 42.13 C ATOM 643 CE2 PHE A 54 20.081 -0.848 13.890 1.00 73.30 C ATOM 644 CZ PHE A 54 20.529 -0.969 15.191 1.00 51.03 C ATOM 0 H PHE A 54 15.840 1.419 13.117 1.00 54.12 H new ATOM 0 HA PHE A 54 16.926 2.481 15.651 1.00 74.01 H new ATOM 0 HB2 PHE A 54 18.258 2.527 12.914 1.00 74.35 H new ATOM 0 HB3 PHE A 54 18.836 3.385 14.329 1.00 74.35 H new ATOM 0 HD1 PHE A 54 19.331 1.921 16.442 1.00 51.25 H new ATOM 0 HD2 PHE A 54 19.013 0.358 12.491 1.00 2.54 H new ATOM 0 HE1 PHE A 54 20.610 -0.062 17.124 1.00 42.13 H new ATOM 0 HE2 PHE A 54 20.292 -1.626 13.171 1.00 73.30 H new ATOM 0 HZ PHE A 54 21.089 -1.842 15.491 1.00 51.03 H new ATOM 654 N HIS A 55 16.861 4.945 14.412 1.00 62.34 N ATOM 655 CA HIS A 55 16.315 6.254 14.074 1.00 52.31 C ATOM 656 C HIS A 55 17.191 6.959 13.043 1.00 3.31 C ATOM 657 O HIS A 55 16.860 8.047 12.571 1.00 45.35 O ATOM 658 CB HIS A 55 16.190 7.117 15.330 1.00 55.33 C ATOM 659 CG HIS A 55 15.276 6.538 16.366 1.00 51.33 C ATOM 660 ND1 HIS A 55 15.667 6.304 17.667 1.00 15.23 N ATOM 661 CD2 HIS A 55 13.982 6.147 16.286 1.00 5.45 C ATOM 662 CE1 HIS A 55 14.653 5.793 18.343 1.00 24.44 C ATOM 663 NE2 HIS A 55 13.619 5.688 17.528 1.00 22.34 N ATOM 0 H HIS A 55 17.782 4.972 14.851 1.00 62.34 H new ATOM 0 HA HIS A 55 15.325 6.107 13.643 1.00 52.31 H new ATOM 0 HB2 HIS A 55 17.179 7.255 15.766 1.00 55.33 H new ATOM 0 HB3 HIS A 55 15.826 8.105 15.047 1.00 55.33 H new ATOM 0 HD2 HIS A 55 13.353 6.188 15.409 1.00 5.45 H new ATOM 0 HE1 HIS A 55 14.667 5.509 19.385 1.00 24.44 H new ATOM 0 HE2 HIS A 55 12.700 5.325 17.780 1.00 22.34 H new ATOM 671 N THR A 56 18.312 6.333 12.699 1.00 61.45 N ATOM 672 CA THR A 56 19.237 6.900 11.726 1.00 41.32 C ATOM 673 C THR A 56 20.456 6.005 11.539 1.00 63.54 C ATOM 674 O THR A 56 20.786 5.200 12.409 1.00 14.04 O ATOM 675 CB THR A 56 19.706 8.305 12.150 1.00 24.31 C ATOM 676 OG1 THR A 56 20.957 8.613 11.524 1.00 53.40 O ATOM 677 CG2 THR A 56 19.855 8.392 13.661 1.00 2.05 C ATOM 0 H THR A 56 18.601 5.432 13.080 1.00 61.45 H new ATOM 0 HA THR A 56 18.697 6.974 10.782 1.00 41.32 H new ATOM 0 HB THR A 56 18.953 9.027 11.833 1.00 24.31 H new ATOM 0 HG1 THR A 56 20.856 9.412 10.966 1.00 53.40 H new ATOM 0 HG21 THR A 56 20.187 9.393 13.937 1.00 2.05 H new ATOM 0 HG22 THR A 56 18.895 8.185 14.134 1.00 2.05 H new ATOM 0 HG23 THR A 56 20.590 7.661 13.997 1.00 2.05 H new ATOM 685 N GLU A 57 21.122 6.150 10.397 1.00 4.35 N ATOM 686 CA GLU A 57 22.306 5.353 10.097 1.00 11.04 C ATOM 687 C GLU A 57 23.298 5.395 11.256 1.00 44.23 C ATOM 688 O GLU A 57 23.824 4.364 11.676 1.00 11.33 O ATOM 689 CB GLU A 57 22.977 5.857 8.818 1.00 53.11 C ATOM 690 CG GLU A 57 22.019 6.008 7.648 1.00 44.53 C ATOM 691 CD GLU A 57 22.733 6.321 6.347 1.00 62.53 C ATOM 692 OE1 GLU A 57 23.931 5.987 6.232 1.00 40.43 O ATOM 693 OE2 GLU A 57 22.093 6.898 5.443 1.00 12.12 O ATOM 0 H GLU A 57 20.862 6.811 9.665 1.00 4.35 H new ATOM 0 HA GLU A 57 21.990 4.320 9.950 1.00 11.04 H new ATOM 0 HB2 GLU A 57 23.447 6.820 9.019 1.00 53.11 H new ATOM 0 HB3 GLU A 57 23.773 5.166 8.539 1.00 53.11 H new ATOM 0 HG2 GLU A 57 21.446 5.088 7.531 1.00 44.53 H new ATOM 0 HG3 GLU A 57 21.306 6.803 7.867 1.00 44.53 H new ATOM 700 N LYS A 58 23.551 6.595 11.767 1.00 10.31 N ATOM 701 CA LYS A 58 24.479 6.775 12.877 1.00 23.51 C ATOM 702 C LYS A 58 24.113 5.865 14.045 1.00 32.23 C ATOM 703 O LYS A 58 24.988 5.335 14.728 1.00 21.45 O ATOM 704 CB LYS A 58 24.483 8.235 13.335 1.00 34.45 C ATOM 705 CG LYS A 58 23.104 8.764 13.691 1.00 31.51 C ATOM 706 CD LYS A 58 22.889 10.167 13.151 1.00 53.23 C ATOM 707 CE LYS A 58 23.194 11.222 14.203 1.00 44.54 C ATOM 708 NZ LYS A 58 24.648 11.538 14.266 1.00 64.14 N ATOM 0 H LYS A 58 23.126 7.458 11.430 1.00 10.31 H new ATOM 0 HA LYS A 58 25.477 6.508 12.530 1.00 23.51 H new ATOM 0 HB2 LYS A 58 25.136 8.333 14.202 1.00 34.45 H new ATOM 0 HB3 LYS A 58 24.908 8.854 12.545 1.00 34.45 H new ATOM 0 HG2 LYS A 58 22.342 8.097 13.287 1.00 31.51 H new ATOM 0 HG3 LYS A 58 22.983 8.768 14.774 1.00 31.51 H new ATOM 0 HD2 LYS A 58 23.526 10.325 12.281 1.00 53.23 H new ATOM 0 HD3 LYS A 58 21.858 10.274 12.815 1.00 53.23 H new ATOM 0 HE2 LYS A 58 22.634 12.130 13.980 1.00 44.54 H new ATOM 0 HE3 LYS A 58 22.856 10.871 15.178 1.00 44.54 H new ATOM 0 HZ1 LYS A 58 24.815 12.261 14.995 1.00 64.14 H new ATOM 0 HZ2 LYS A 58 25.180 10.677 14.504 1.00 64.14 H new ATOM 0 HZ3 LYS A 58 24.966 11.897 13.343 1.00 64.14 H new ATOM 722 N GLU A 59 22.814 5.688 14.267 1.00 0.12 N ATOM 723 CA GLU A 59 22.333 4.841 15.353 1.00 44.42 C ATOM 724 C GLU A 59 22.690 3.379 15.101 1.00 2.20 C ATOM 725 O GLU A 59 23.103 2.663 16.014 1.00 24.01 O ATOM 726 CB GLU A 59 20.819 4.988 15.511 1.00 13.14 C ATOM 727 CG GLU A 59 20.400 5.555 16.857 1.00 12.24 C ATOM 728 CD GLU A 59 20.079 4.474 17.871 1.00 14.44 C ATOM 729 OE1 GLU A 59 18.912 4.031 17.918 1.00 43.14 O ATOM 730 OE2 GLU A 59 20.995 4.072 18.619 1.00 72.13 O ATOM 0 H GLU A 59 22.076 6.119 13.710 1.00 0.12 H new ATOM 0 HA GLU A 59 22.820 5.162 16.274 1.00 44.42 H new ATOM 0 HB2 GLU A 59 20.441 5.635 14.720 1.00 13.14 H new ATOM 0 HB3 GLU A 59 20.352 4.013 15.376 1.00 13.14 H new ATOM 0 HG2 GLU A 59 21.199 6.187 17.246 1.00 12.24 H new ATOM 0 HG3 GLU A 59 19.526 6.193 16.722 1.00 12.24 H new ATOM 737 N LEU A 60 22.527 2.942 13.857 1.00 2.51 N ATOM 738 CA LEU A 60 22.831 1.565 13.484 1.00 42.43 C ATOM 739 C LEU A 60 24.309 1.256 13.700 1.00 1.11 C ATOM 740 O LEU A 60 24.660 0.237 14.294 1.00 54.41 O ATOM 741 CB LEU A 60 22.455 1.318 12.022 1.00 63.23 C ATOM 742 CG LEU A 60 22.414 -0.145 11.578 1.00 52.12 C ATOM 743 CD1 LEU A 60 21.158 -0.421 10.766 1.00 34.05 C ATOM 744 CD2 LEU A 60 23.658 -0.494 10.774 1.00 52.43 C ATOM 0 H LEU A 60 22.186 3.521 13.090 1.00 2.51 H new ATOM 0 HA LEU A 60 22.244 0.903 14.121 1.00 42.43 H new ATOM 0 HB2 LEU A 60 21.475 1.760 11.840 1.00 63.23 H new ATOM 0 HB3 LEU A 60 23.167 1.849 11.390 1.00 63.23 H new ATOM 0 HG LEU A 60 22.393 -0.774 12.468 1.00 52.12 H new ATOM 0 HD11 LEU A 60 21.146 -1.467 10.459 1.00 34.05 H new ATOM 0 HD12 LEU A 60 20.278 -0.211 11.374 1.00 34.05 H new ATOM 0 HD13 LEU A 60 21.149 0.217 9.882 1.00 34.05 H new ATOM 0 HD21 LEU A 60 23.611 -1.539 10.467 1.00 52.43 H new ATOM 0 HD22 LEU A 60 23.711 0.142 9.890 1.00 52.43 H new ATOM 0 HD23 LEU A 60 24.544 -0.336 11.388 1.00 52.43 H new ATOM 756 N ASN A 61 25.171 2.144 13.216 1.00 43.04 N ATOM 757 CA ASN A 61 26.612 1.967 13.358 1.00 71.35 C ATOM 758 C ASN A 61 27.047 2.181 14.804 1.00 15.51 C ATOM 759 O ASN A 61 27.987 1.546 15.282 1.00 75.25 O ATOM 760 CB ASN A 61 27.359 2.936 12.439 1.00 10.24 C ATOM 761 CG ASN A 61 28.481 2.260 11.675 1.00 12.20 C ATOM 762 OD1 ASN A 61 29.596 2.777 11.600 1.00 14.25 O ATOM 763 ND2 ASN A 61 28.190 1.098 11.102 1.00 12.11 N ATOM 0 H ASN A 61 24.897 2.993 12.722 1.00 43.04 H new ATOM 0 HA ASN A 61 26.857 0.944 13.072 1.00 71.35 H new ATOM 0 HB2 ASN A 61 26.656 3.377 11.732 1.00 10.24 H new ATOM 0 HB3 ASN A 61 27.768 3.753 13.033 1.00 10.24 H new ATOM 0 HD21 ASN A 61 28.904 0.597 10.574 1.00 12.11 H new ATOM 0 HD22 ASN A 61 27.252 0.707 11.190 1.00 12.11 H new ATOM 770 N ASP A 62 26.356 3.081 15.496 1.00 32.31 N ATOM 771 CA ASP A 62 26.669 3.379 16.889 1.00 74.40 C ATOM 772 C ASP A 62 26.313 2.200 17.790 1.00 53.20 C ATOM 773 O ASP A 62 26.957 1.970 18.813 1.00 24.13 O ATOM 774 CB ASP A 62 25.919 4.631 17.346 1.00 75.21 C ATOM 775 CG ASP A 62 26.618 5.909 16.928 1.00 53.33 C ATOM 776 OD1 ASP A 62 27.583 5.828 16.140 1.00 65.51 O ATOM 777 OD2 ASP A 62 26.199 6.992 17.388 1.00 74.14 O ATOM 0 H ASP A 62 25.576 3.616 15.115 1.00 32.31 H new ATOM 0 HA ASP A 62 27.741 3.560 16.964 1.00 74.40 H new ATOM 0 HB2 ASP A 62 24.911 4.619 16.931 1.00 75.21 H new ATOM 0 HB3 ASP A 62 25.817 4.614 18.431 1.00 75.21 H new ATOM 782 N LYS A 63 25.281 1.457 17.403 1.00 24.14 N ATOM 783 CA LYS A 63 24.838 0.302 18.175 1.00 64.20 C ATOM 784 C LYS A 63 25.809 -0.864 18.014 1.00 35.34 C ATOM 785 O LYS A 63 25.970 -1.681 18.923 1.00 54.25 O ATOM 786 CB LYS A 63 23.436 -0.124 17.735 1.00 13.31 C ATOM 787 CG LYS A 63 23.018 -1.484 18.266 1.00 64.44 C ATOM 788 CD LYS A 63 22.958 -2.521 17.156 1.00 1.12 C ATOM 789 CE LYS A 63 24.180 -3.426 17.172 1.00 44.12 C ATOM 790 NZ LYS A 63 23.819 -4.851 16.935 1.00 14.11 N ATOM 0 H LYS A 63 24.736 1.634 16.559 1.00 24.14 H new ATOM 0 HA LYS A 63 24.811 0.588 19.227 1.00 64.20 H new ATOM 0 HB2 LYS A 63 22.717 0.624 18.069 1.00 13.31 H new ATOM 0 HB3 LYS A 63 23.396 -0.141 16.646 1.00 13.31 H new ATOM 0 HG2 LYS A 63 23.723 -1.809 19.031 1.00 64.44 H new ATOM 0 HG3 LYS A 63 22.042 -1.405 18.744 1.00 64.44 H new ATOM 0 HD2 LYS A 63 22.056 -3.123 17.268 1.00 1.12 H new ATOM 0 HD3 LYS A 63 22.888 -2.019 16.191 1.00 1.12 H new ATOM 0 HE2 LYS A 63 24.885 -3.098 16.408 1.00 44.12 H new ATOM 0 HE3 LYS A 63 24.687 -3.335 18.133 1.00 44.12 H new ATOM 0 HZ1 LYS A 63 24.111 -5.424 17.752 1.00 14.11 H new ATOM 0 HZ2 LYS A 63 22.790 -4.932 16.806 1.00 14.11 H new ATOM 0 HZ3 LYS A 63 24.303 -5.194 16.081 1.00 14.11 H new ATOM 804 N LEU A 64 26.453 -0.936 16.855 1.00 5.13 N ATOM 805 CA LEU A 64 27.410 -2.002 16.576 1.00 13.33 C ATOM 806 C LEU A 64 28.405 -2.154 17.722 1.00 1.21 C ATOM 807 O LEU A 64 28.803 -3.265 18.068 1.00 20.30 O ATOM 808 CB LEU A 64 28.156 -1.716 15.272 1.00 50.30 C ATOM 809 CG LEU A 64 27.824 -2.633 14.094 1.00 2.51 C ATOM 810 CD1 LEU A 64 27.154 -1.846 12.978 1.00 64.22 C ATOM 811 CD2 LEU A 64 29.082 -3.321 13.584 1.00 74.24 C ATOM 0 H LEU A 64 26.330 -0.269 16.093 1.00 5.13 H new ATOM 0 HA LEU A 64 26.857 -2.936 16.473 1.00 13.33 H new ATOM 0 HB2 LEU A 64 27.948 -0.688 14.976 1.00 50.30 H new ATOM 0 HB3 LEU A 64 29.226 -1.781 15.467 1.00 50.30 H new ATOM 0 HG LEU A 64 27.129 -3.399 14.438 1.00 2.51 H new ATOM 0 HD11 LEU A 64 26.925 -2.515 12.148 1.00 64.22 H new ATOM 0 HD12 LEU A 64 26.232 -1.400 13.350 1.00 64.22 H new ATOM 0 HD13 LEU A 64 27.825 -1.058 12.635 1.00 64.22 H new ATOM 0 HD21 LEU A 64 28.828 -3.970 12.746 1.00 74.24 H new ATOM 0 HD22 LEU A 64 29.800 -2.569 13.256 1.00 74.24 H new ATOM 0 HD23 LEU A 64 29.520 -3.917 14.384 1.00 74.24 H new ATOM 823 N ASN A 65 28.801 -1.029 18.308 1.00 4.31 N ATOM 824 CA ASN A 65 29.749 -1.037 19.417 1.00 61.04 C ATOM 825 C ASN A 65 29.263 -1.947 20.541 1.00 42.40 C ATOM 826 O ASN A 65 30.048 -2.680 21.143 1.00 73.11 O ATOM 827 CB ASN A 65 29.957 0.383 19.948 1.00 60.31 C ATOM 828 CG ASN A 65 31.266 0.989 19.480 1.00 53.33 C ATOM 829 OD1 ASN A 65 32.332 0.398 19.648 1.00 62.32 O ATOM 830 ND2 ASN A 65 31.190 2.176 18.889 1.00 54.11 N ATOM 0 H ASN A 65 28.481 -0.100 18.034 1.00 4.31 H new ATOM 0 HA ASN A 65 30.700 -1.422 19.047 1.00 61.04 H new ATOM 0 HB2 ASN A 65 29.130 1.015 19.622 1.00 60.31 H new ATOM 0 HB3 ASN A 65 29.936 0.367 21.038 1.00 60.31 H new ATOM 0 HD21 ASN A 65 32.037 2.634 18.553 1.00 54.11 H new ATOM 0 HD22 ASN A 65 30.284 2.630 18.771 1.00 54.11 H new ATOM 837 N ASP A 66 27.965 -1.894 20.818 1.00 40.50 N ATOM 838 CA ASP A 66 27.373 -2.714 21.869 1.00 43.44 C ATOM 839 C ASP A 66 27.532 -4.198 21.554 1.00 50.22 C ATOM 840 O ASP A 66 28.035 -4.966 22.374 1.00 72.42 O ATOM 841 CB ASP A 66 25.892 -2.371 22.039 1.00 24.22 C ATOM 842 CG ASP A 66 25.623 -1.583 23.306 1.00 35.51 C ATOM 843 OD1 ASP A 66 25.814 -2.144 24.406 1.00 75.12 O ATOM 844 OD2 ASP A 66 25.221 -0.406 23.198 1.00 61.11 O ATOM 0 H ASP A 66 27.302 -1.292 20.329 1.00 40.50 H new ATOM 0 HA ASP A 66 27.896 -2.501 22.801 1.00 43.44 H new ATOM 0 HB2 ASP A 66 25.554 -1.795 21.178 1.00 24.22 H new ATOM 0 HB3 ASP A 66 25.308 -3.291 22.056 1.00 24.22 H new ATOM 849 N TYR A 67 27.099 -4.594 20.362 1.00 1.01 N ATOM 850 CA TYR A 67 27.190 -5.987 19.940 1.00 12.32 C ATOM 851 C TYR A 67 28.642 -6.454 19.913 1.00 72.24 C ATOM 852 O TYR A 67 28.935 -7.621 20.173 1.00 63.32 O ATOM 853 CB TYR A 67 26.559 -6.165 18.558 1.00 34.04 C ATOM 854 CG TYR A 67 27.536 -6.627 17.501 1.00 32.54 C ATOM 855 CD1 TYR A 67 27.904 -7.964 17.405 1.00 5.24 C ATOM 856 CD2 TYR A 67 28.091 -5.728 16.599 1.00 23.45 C ATOM 857 CE1 TYR A 67 28.798 -8.391 16.442 1.00 55.02 C ATOM 858 CE2 TYR A 67 28.984 -6.147 15.632 1.00 52.12 C ATOM 859 CZ TYR A 67 29.334 -7.479 15.557 1.00 0.11 C ATOM 860 OH TYR A 67 30.224 -7.899 14.595 1.00 31.44 O ATOM 0 H TYR A 67 26.682 -3.970 19.671 1.00 1.01 H new ATOM 0 HA TYR A 67 26.645 -6.596 20.662 1.00 12.32 H new ATOM 0 HB2 TYR A 67 25.746 -6.887 18.630 1.00 34.04 H new ATOM 0 HB3 TYR A 67 26.118 -5.219 18.245 1.00 34.04 H new ATOM 0 HD1 TYR A 67 27.484 -8.681 18.095 1.00 5.24 H new ATOM 0 HD2 TYR A 67 27.820 -4.684 16.655 1.00 23.45 H new ATOM 0 HE1 TYR A 67 29.076 -9.433 16.383 1.00 55.02 H new ATOM 0 HE2 TYR A 67 29.406 -5.435 14.938 1.00 52.12 H new ATOM 0 HH TYR A 67 31.018 -7.325 14.611 1.00 31.44 H new ATOM 870 N TYR A 68 29.546 -5.534 19.596 1.00 63.40 N ATOM 871 CA TYR A 68 30.968 -5.851 19.532 1.00 2.12 C ATOM 872 C TYR A 68 31.426 -6.561 20.803 1.00 72.15 C ATOM 873 O TYR A 68 32.247 -7.476 20.754 1.00 72.52 O ATOM 874 CB TYR A 68 31.787 -4.576 19.324 1.00 1.22 C ATOM 875 CG TYR A 68 32.442 -4.492 17.964 1.00 23.01 C ATOM 876 CD1 TYR A 68 31.702 -4.166 16.834 1.00 5.30 C ATOM 877 CD2 TYR A 68 33.800 -4.740 17.809 1.00 64.03 C ATOM 878 CE1 TYR A 68 32.296 -4.089 15.589 1.00 5.41 C ATOM 879 CE2 TYR A 68 34.403 -4.664 16.568 1.00 1.21 C ATOM 880 CZ TYR A 68 33.647 -4.338 15.461 1.00 0.04 C ATOM 881 OH TYR A 68 34.243 -4.262 14.224 1.00 64.45 O ATOM 0 H TYR A 68 29.320 -4.563 19.379 1.00 63.40 H new ATOM 0 HA TYR A 68 31.127 -6.520 18.686 1.00 2.12 H new ATOM 0 HB2 TYR A 68 31.138 -3.711 19.459 1.00 1.22 H new ATOM 0 HB3 TYR A 68 32.557 -4.520 20.093 1.00 1.22 H new ATOM 0 HD1 TYR A 68 30.644 -3.969 16.931 1.00 5.30 H new ATOM 0 HD2 TYR A 68 34.395 -4.997 18.673 1.00 64.03 H new ATOM 0 HE1 TYR A 68 31.706 -3.835 14.721 1.00 5.41 H new ATOM 0 HE2 TYR A 68 35.460 -4.859 16.465 1.00 1.21 H new ATOM 0 HH TYR A 68 35.198 -4.464 14.308 1.00 64.45 H new ATOM 891 N ALA A 69 30.887 -6.132 21.939 1.00 3.22 N ATOM 892 CA ALA A 69 31.237 -6.727 23.223 1.00 61.11 C ATOM 893 C ALA A 69 31.045 -8.240 23.197 1.00 2.31 C ATOM 894 O ALA A 69 31.716 -8.973 23.924 1.00 23.50 O ATOM 895 CB ALA A 69 30.406 -6.107 24.336 1.00 1.33 C ATOM 0 H ALA A 69 30.206 -5.375 21.997 1.00 3.22 H new ATOM 0 HA ALA A 69 32.291 -6.524 23.415 1.00 61.11 H new ATOM 0 HB1 ALA A 69 30.678 -6.561 25.289 1.00 1.33 H new ATOM 0 HB2 ALA A 69 30.596 -5.034 24.378 1.00 1.33 H new ATOM 0 HB3 ALA A 69 29.348 -6.281 24.140 1.00 1.33 H new ATOM 901 N LEU A 70 30.125 -8.700 22.357 1.00 63.34 N ATOM 902 CA LEU A 70 29.844 -10.127 22.237 1.00 44.25 C ATOM 903 C LEU A 70 31.083 -10.889 21.776 1.00 51.20 C ATOM 904 O LEU A 70 31.163 -12.109 21.918 1.00 60.22 O ATOM 905 CB LEU A 70 28.694 -10.359 21.255 1.00 23.32 C ATOM 906 CG LEU A 70 27.988 -11.712 21.357 1.00 42.30 C ATOM 907 CD1 LEU A 70 26.592 -11.543 21.936 1.00 2.22 C ATOM 908 CD2 LEU A 70 27.924 -12.384 19.993 1.00 10.12 C ATOM 0 H LEU A 70 29.561 -8.106 21.749 1.00 63.34 H new ATOM 0 HA LEU A 70 29.556 -10.500 23.220 1.00 44.25 H new ATOM 0 HB2 LEU A 70 27.953 -9.573 21.402 1.00 23.32 H new ATOM 0 HB3 LEU A 70 29.080 -10.248 20.242 1.00 23.32 H new ATOM 0 HG LEU A 70 28.562 -12.351 22.028 1.00 42.30 H new ATOM 0 HD11 LEU A 70 26.105 -12.516 22.001 1.00 2.22 H new ATOM 0 HD12 LEU A 70 26.662 -11.105 22.932 1.00 2.22 H new ATOM 0 HD13 LEU A 70 26.007 -10.887 21.291 1.00 2.22 H new ATOM 0 HD21 LEU A 70 27.419 -13.345 20.084 1.00 10.12 H new ATOM 0 HD22 LEU A 70 27.373 -11.749 19.300 1.00 10.12 H new ATOM 0 HD23 LEU A 70 28.935 -12.540 19.616 1.00 10.12 H new ATOM 920 N LYS A 71 32.048 -10.161 21.225 1.00 4.35 N ATOM 921 CA LYS A 71 33.286 -10.766 20.747 1.00 54.02 C ATOM 922 C LYS A 71 33.884 -11.688 21.804 1.00 64.53 C ATOM 923 O LYS A 71 34.527 -12.687 21.478 1.00 32.42 O ATOM 924 CB LYS A 71 34.296 -9.680 20.370 1.00 24.34 C ATOM 925 CG LYS A 71 34.774 -8.857 21.554 1.00 32.12 C ATOM 926 CD LYS A 71 35.868 -7.883 21.151 1.00 41.01 C ATOM 927 CE LYS A 71 35.401 -6.946 20.048 1.00 41.41 C ATOM 928 NZ LYS A 71 36.459 -5.971 19.664 1.00 41.52 N ATOM 0 H LYS A 71 31.997 -9.150 21.098 1.00 4.35 H new ATOM 0 HA LYS A 71 33.054 -11.359 19.863 1.00 54.02 H new ATOM 0 HB2 LYS A 71 35.157 -10.147 19.891 1.00 24.34 H new ATOM 0 HB3 LYS A 71 33.844 -9.015 19.634 1.00 24.34 H new ATOM 0 HG2 LYS A 71 33.934 -8.307 21.979 1.00 32.12 H new ATOM 0 HG3 LYS A 71 35.146 -9.522 22.334 1.00 32.12 H new ATOM 0 HD2 LYS A 71 36.176 -7.300 22.019 1.00 41.01 H new ATOM 0 HD3 LYS A 71 36.744 -8.437 20.813 1.00 41.01 H new ATOM 0 HE2 LYS A 71 35.111 -7.530 19.174 1.00 41.41 H new ATOM 0 HE3 LYS A 71 34.514 -6.407 20.381 1.00 41.41 H new ATOM 0 HZ1 LYS A 71 36.290 -5.640 18.693 1.00 41.52 H new ATOM 0 HZ2 LYS A 71 36.437 -5.160 20.315 1.00 41.52 H new ATOM 0 HZ3 LYS A 71 37.390 -6.431 19.716 1.00 41.52 H new ATOM 942 N HIS A 72 33.669 -11.348 23.071 1.00 75.45 N ATOM 943 CA HIS A 72 34.186 -12.148 24.175 1.00 15.05 C ATOM 944 C HIS A 72 33.833 -13.621 23.992 1.00 55.10 C ATOM 945 O HIS A 72 34.673 -14.500 24.185 1.00 54.13 O ATOM 946 CB HIS A 72 33.628 -11.640 25.505 1.00 13.32 C ATOM 947 CG HIS A 72 34.666 -11.031 26.397 1.00 51.13 C ATOM 948 ND1 HIS A 72 35.198 -11.684 27.488 1.00 34.53 N ATOM 949 CD2 HIS A 72 35.272 -9.821 26.352 1.00 31.43 C ATOM 950 CE1 HIS A 72 36.084 -10.903 28.078 1.00 45.32 C ATOM 951 NE2 HIS A 72 36.149 -9.766 27.408 1.00 72.33 N ATOM 0 H HIS A 72 33.141 -10.524 23.358 1.00 75.45 H new ATOM 0 HA HIS A 72 35.272 -12.051 24.183 1.00 15.05 H new ATOM 0 HB2 HIS A 72 32.853 -10.900 25.305 1.00 13.32 H new ATOM 0 HB3 HIS A 72 33.151 -12.468 26.029 1.00 13.32 H new ATOM 0 HD2 HIS A 72 35.098 -9.044 25.622 1.00 31.43 H new ATOM 0 HE1 HIS A 72 36.658 -11.151 28.959 1.00 45.32 H new ATOM 0 HE2 HIS A 72 36.752 -8.976 27.637 1.00 72.33 H new ATOM 959 N VAL A 73 32.584 -13.883 23.619 1.00 71.31 N ATOM 960 CA VAL A 73 32.120 -15.249 23.409 1.00 32.41 C ATOM 961 C VAL A 73 32.327 -15.684 21.963 1.00 63.33 C ATOM 962 O VAL A 73 31.733 -15.138 21.033 1.00 61.21 O ATOM 963 CB VAL A 73 30.630 -15.398 23.769 1.00 14.54 C ATOM 964 CG1 VAL A 73 30.204 -16.856 23.692 1.00 54.43 C ATOM 965 CG2 VAL A 73 30.357 -14.827 25.153 1.00 3.10 C ATOM 0 H VAL A 73 31.876 -13.167 23.456 1.00 71.31 H new ATOM 0 HA VAL A 73 32.711 -15.887 24.066 1.00 32.41 H new ATOM 0 HB VAL A 73 30.042 -14.834 23.045 1.00 14.54 H new ATOM 0 HG11 VAL A 73 29.148 -16.941 23.950 1.00 54.43 H new ATOM 0 HG12 VAL A 73 30.361 -17.228 22.680 1.00 54.43 H new ATOM 0 HG13 VAL A 73 30.797 -17.446 24.391 1.00 54.43 H new ATOM 0 HG21 VAL A 73 29.299 -14.941 25.391 1.00 3.10 H new ATOM 0 HG22 VAL A 73 30.955 -15.361 25.891 1.00 3.10 H new ATOM 0 HG23 VAL A 73 30.621 -13.770 25.169 1.00 3.10 H new ATOM 975 N PRO A 74 33.191 -16.692 21.766 1.00 54.32 N ATOM 976 CA PRO A 74 33.496 -17.224 20.434 1.00 1.34 C ATOM 977 C PRO A 74 32.320 -17.983 19.830 1.00 62.32 C ATOM 978 O PRO A 74 31.982 -17.797 18.661 1.00 52.52 O ATOM 979 CB PRO A 74 34.670 -18.172 20.692 1.00 34.11 C ATOM 980 CG PRO A 74 34.523 -18.577 22.118 1.00 21.41 C ATOM 981 CD PRO A 74 33.935 -17.390 22.828 1.00 54.41 C ATOM 0 HA PRO A 74 33.719 -16.432 19.719 1.00 1.34 H new ATOM 0 HB2 PRO A 74 34.634 -19.037 20.029 1.00 34.11 H new ATOM 0 HB3 PRO A 74 35.625 -17.676 20.518 1.00 34.11 H new ATOM 0 HG2 PRO A 74 33.874 -19.448 22.211 1.00 21.41 H new ATOM 0 HG3 PRO A 74 35.487 -18.850 22.547 1.00 21.41 H new ATOM 0 HD2 PRO A 74 33.280 -17.694 23.644 1.00 54.41 H new ATOM 0 HD3 PRO A 74 34.709 -16.756 23.260 1.00 54.41 H new ATOM 989 N LYS A 75 31.700 -18.841 20.633 1.00 13.42 N ATOM 990 CA LYS A 75 30.560 -19.628 20.179 1.00 53.12 C ATOM 991 C LYS A 75 29.419 -18.722 19.725 1.00 21.44 C ATOM 992 O LYS A 75 28.533 -19.147 18.984 1.00 75.41 O ATOM 993 CB LYS A 75 30.076 -20.555 21.296 1.00 12.23 C ATOM 994 CG LYS A 75 31.201 -21.271 22.023 1.00 42.14 C ATOM 995 CD LYS A 75 32.222 -21.837 21.049 1.00 33.04 C ATOM 996 CE LYS A 75 31.559 -22.695 19.983 1.00 35.41 C ATOM 997 NZ LYS A 75 32.259 -23.998 19.805 1.00 54.53 N ATOM 0 H LYS A 75 31.968 -19.009 21.603 1.00 13.42 H new ATOM 0 HA LYS A 75 30.882 -20.231 19.330 1.00 53.12 H new ATOM 0 HB2 LYS A 75 29.502 -19.973 22.017 1.00 12.23 H new ATOM 0 HB3 LYS A 75 29.398 -21.297 20.873 1.00 12.23 H new ATOM 0 HG2 LYS A 75 31.693 -20.579 22.706 1.00 42.14 H new ATOM 0 HG3 LYS A 75 30.789 -22.078 22.629 1.00 42.14 H new ATOM 0 HD2 LYS A 75 32.765 -21.020 20.574 1.00 33.04 H new ATOM 0 HD3 LYS A 75 32.955 -22.433 21.593 1.00 33.04 H new ATOM 0 HE2 LYS A 75 30.520 -22.876 20.257 1.00 35.41 H new ATOM 0 HE3 LYS A 75 31.550 -22.155 19.036 1.00 35.41 H new ATOM 0 HZ1 LYS A 75 31.777 -24.554 19.070 1.00 54.53 H new ATOM 0 HZ2 LYS A 75 33.244 -23.827 19.519 1.00 54.53 H new ATOM 0 HZ3 LYS A 75 32.246 -24.525 20.702 1.00 54.53 H new ATOM 1011 N CYS A 76 29.448 -17.472 20.174 1.00 3.01 N ATOM 1012 CA CYS A 76 28.418 -16.506 19.814 1.00 12.51 C ATOM 1013 C CYS A 76 28.980 -15.429 18.890 1.00 65.41 C ATOM 1014 O CYS A 76 28.231 -14.673 18.273 1.00 74.25 O ATOM 1015 CB CYS A 76 27.834 -15.859 21.072 1.00 52.13 C ATOM 1016 SG CYS A 76 26.145 -16.410 21.475 1.00 21.14 S ATOM 0 H CYS A 76 30.174 -17.104 20.788 1.00 3.01 H new ATOM 0 HA CYS A 76 27.627 -17.037 19.285 1.00 12.51 H new ATOM 0 HB2 CYS A 76 28.487 -16.077 21.917 1.00 52.13 H new ATOM 0 HB3 CYS A 76 27.831 -14.777 20.943 1.00 52.13 H new ATOM 1021 N TRP A 77 30.304 -15.368 18.800 1.00 10.34 N ATOM 1022 CA TRP A 77 30.967 -14.384 17.952 1.00 64.55 C ATOM 1023 C TRP A 77 31.014 -14.859 16.503 1.00 14.42 C ATOM 1024 O TRP A 77 30.523 -14.179 15.602 1.00 4.32 O ATOM 1025 CB TRP A 77 32.385 -14.116 18.459 1.00 63.32 C ATOM 1026 CG TRP A 77 33.249 -13.407 17.460 1.00 22.12 C ATOM 1027 CD1 TRP A 77 34.544 -13.703 17.140 1.00 15.52 C ATOM 1028 CD2 TRP A 77 32.881 -12.283 16.654 1.00 73.15 C ATOM 1029 NE1 TRP A 77 35.002 -12.830 16.183 1.00 40.30 N ATOM 1030 CE2 TRP A 77 34.001 -11.950 15.867 1.00 52.10 C ATOM 1031 CE3 TRP A 77 31.713 -11.527 16.517 1.00 24.25 C ATOM 1032 CZ2 TRP A 77 33.986 -10.893 14.960 1.00 35.43 C ATOM 1033 CZ3 TRP A 77 31.700 -10.479 15.617 1.00 11.34 C ATOM 1034 CH2 TRP A 77 32.829 -10.170 14.848 1.00 64.14 C ATOM 0 H TRP A 77 30.939 -15.988 19.303 1.00 10.34 H new ATOM 0 HA TRP A 77 30.393 -13.459 17.994 1.00 64.55 H new ATOM 0 HB2 TRP A 77 32.331 -13.520 19.370 1.00 63.32 H new ATOM 0 HB3 TRP A 77 32.853 -15.064 18.726 1.00 63.32 H new ATOM 0 HD1 TRP A 77 35.122 -14.505 17.575 1.00 15.52 H new ATOM 0 HE1 TRP A 77 35.936 -12.836 15.774 1.00 40.30 H new ATOM 0 HE3 TRP A 77 30.837 -11.758 17.104 1.00 24.25 H new ATOM 0 HZ2 TRP A 77 34.856 -10.653 14.367 1.00 35.43 H new ATOM 0 HZ3 TRP A 77 30.803 -9.888 15.504 1.00 11.34 H new ATOM 0 HH2 TRP A 77 32.786 -9.345 14.153 1.00 64.14 H new ATOM 1045 N ALA A 78 31.605 -16.029 16.287 1.00 43.34 N ATOM 1046 CA ALA A 78 31.713 -16.594 14.947 1.00 31.14 C ATOM 1047 C ALA A 78 30.348 -17.028 14.424 1.00 61.24 C ATOM 1048 O ALA A 78 30.195 -17.333 13.241 1.00 20.23 O ATOM 1049 CB ALA A 78 32.679 -17.770 14.947 1.00 51.52 C ATOM 0 H ALA A 78 32.016 -16.604 17.022 1.00 43.34 H new ATOM 0 HA ALA A 78 32.099 -15.821 14.282 1.00 31.14 H new ATOM 0 HB1 ALA A 78 32.750 -18.182 13.941 1.00 51.52 H new ATOM 0 HB2 ALA A 78 33.663 -17.432 15.271 1.00 51.52 H new ATOM 0 HB3 ALA A 78 32.316 -18.539 15.629 1.00 51.52 H new ATOM 1055 N ALA A 79 29.360 -17.054 15.311 1.00 34.35 N ATOM 1056 CA ALA A 79 28.007 -17.450 14.938 1.00 44.12 C ATOM 1057 C ALA A 79 27.326 -16.363 14.113 1.00 34.42 C ATOM 1058 O ALA A 79 26.320 -16.615 13.448 1.00 3.01 O ATOM 1059 CB ALA A 79 27.187 -17.765 16.180 1.00 24.10 C ATOM 0 H ALA A 79 29.470 -16.805 16.294 1.00 34.35 H new ATOM 0 HA ALA A 79 28.074 -18.348 14.324 1.00 44.12 H new ATOM 0 HB1 ALA A 79 26.179 -18.059 15.886 1.00 24.10 H new ATOM 0 HB2 ALA A 79 27.657 -18.581 16.729 1.00 24.10 H new ATOM 0 HB3 ALA A 79 27.136 -16.881 16.816 1.00 24.10 H new ATOM 1065 N ILE A 80 27.878 -15.156 14.162 1.00 50.10 N ATOM 1066 CA ILE A 80 27.323 -14.032 13.419 1.00 55.22 C ATOM 1067 C ILE A 80 28.374 -13.396 12.516 1.00 63.10 C ATOM 1068 O ILE A 80 28.195 -12.280 12.029 1.00 24.05 O ATOM 1069 CB ILE A 80 26.756 -12.956 14.365 1.00 65.23 C ATOM 1070 CG1 ILE A 80 25.775 -12.052 13.616 1.00 62.45 C ATOM 1071 CG2 ILE A 80 27.886 -12.135 14.969 1.00 33.11 C ATOM 1072 CD1 ILE A 80 25.233 -10.919 14.458 1.00 24.13 C ATOM 0 H ILE A 80 28.709 -14.931 14.709 1.00 50.10 H new ATOM 0 HA ILE A 80 26.514 -14.429 12.806 1.00 55.22 H new ATOM 0 HB ILE A 80 26.219 -13.451 15.174 1.00 65.23 H new ATOM 0 HG12 ILE A 80 26.273 -11.637 12.740 1.00 62.45 H new ATOM 0 HG13 ILE A 80 24.942 -12.655 13.254 1.00 62.45 H new ATOM 0 HG21 ILE A 80 27.471 -11.379 15.635 1.00 33.11 H new ATOM 0 HG22 ILE A 80 28.550 -12.790 15.533 1.00 33.11 H new ATOM 0 HG23 ILE A 80 28.448 -11.647 14.172 1.00 33.11 H new ATOM 0 HD11 ILE A 80 24.544 -10.320 13.862 1.00 24.13 H new ATOM 0 HD12 ILE A 80 24.706 -11.327 15.321 1.00 24.13 H new ATOM 0 HD13 ILE A 80 26.057 -10.293 14.799 1.00 24.13 H new ATOM 1084 N GLN A 81 29.470 -14.116 12.296 1.00 51.44 N ATOM 1085 CA GLN A 81 30.550 -13.622 11.450 1.00 41.22 C ATOM 1086 C GLN A 81 30.038 -13.286 10.053 1.00 32.01 C ATOM 1087 O GLN A 81 30.126 -12.149 9.590 1.00 52.32 O ATOM 1088 CB GLN A 81 31.670 -14.659 11.359 1.00 23.52 C ATOM 1089 CG GLN A 81 33.019 -14.141 11.830 1.00 24.15 C ATOM 1090 CD GLN A 81 33.799 -15.175 12.618 1.00 23.31 C ATOM 1091 OE1 GLN A 81 33.944 -16.320 12.188 1.00 24.03 O ATOM 1092 NE2 GLN A 81 34.307 -14.777 13.779 1.00 52.13 N ATOM 0 H GLN A 81 29.633 -15.042 12.691 1.00 51.44 H new ATOM 0 HA GLN A 81 30.943 -12.711 11.902 1.00 41.22 H new ATOM 0 HB2 GLN A 81 31.397 -15.530 11.955 1.00 23.52 H new ATOM 0 HB3 GLN A 81 31.760 -14.995 10.326 1.00 23.52 H new ATOM 0 HG2 GLN A 81 33.606 -13.830 10.966 1.00 24.15 H new ATOM 0 HG3 GLN A 81 32.868 -13.256 12.449 1.00 24.15 H new ATOM 0 HE21 GLN A 81 34.163 -13.819 14.097 1.00 52.13 H new ATOM 0 HE22 GLN A 81 34.841 -15.430 14.352 1.00 52.13 H new ATOM 1101 N PRO A 82 29.489 -14.298 9.364 1.00 5.12 N ATOM 1102 CA PRO A 82 28.952 -14.134 8.010 1.00 20.33 C ATOM 1103 C PRO A 82 27.676 -13.300 7.990 1.00 10.20 C ATOM 1104 O PRO A 82 27.470 -12.484 7.091 1.00 10.02 O ATOM 1105 CB PRO A 82 28.659 -15.570 7.569 1.00 32.41 C ATOM 1106 CG PRO A 82 28.447 -16.321 8.838 1.00 2.15 C ATOM 1107 CD PRO A 82 29.352 -15.680 9.854 1.00 15.44 C ATOM 0 HA PRO A 82 29.647 -13.606 7.357 1.00 20.33 H new ATOM 0 HB2 PRO A 82 27.777 -15.616 6.930 1.00 32.41 H new ATOM 0 HB3 PRO A 82 29.489 -15.985 6.997 1.00 32.41 H new ATOM 0 HG2 PRO A 82 27.405 -16.267 9.154 1.00 2.15 H new ATOM 0 HG3 PRO A 82 28.688 -17.377 8.712 1.00 2.15 H new ATOM 0 HD2 PRO A 82 28.919 -15.711 10.854 1.00 15.44 H new ATOM 0 HD3 PRO A 82 30.317 -16.185 9.908 1.00 15.44 H new ATOM 1115 N PHE A 83 26.822 -13.509 8.987 1.00 50.34 N ATOM 1116 CA PHE A 83 25.565 -12.776 9.083 1.00 41.54 C ATOM 1117 C PHE A 83 25.818 -11.297 9.362 1.00 11.13 C ATOM 1118 O PHE A 83 24.993 -10.442 9.038 1.00 14.12 O ATOM 1119 CB PHE A 83 24.686 -13.371 10.184 1.00 75.32 C ATOM 1120 CG PHE A 83 23.285 -12.828 10.192 1.00 61.41 C ATOM 1121 CD1 PHE A 83 22.678 -12.423 9.014 1.00 21.31 C ATOM 1122 CD2 PHE A 83 22.576 -12.723 11.378 1.00 51.45 C ATOM 1123 CE1 PHE A 83 21.389 -11.924 9.018 1.00 44.50 C ATOM 1124 CE2 PHE A 83 21.287 -12.224 11.388 1.00 71.15 C ATOM 1125 CZ PHE A 83 20.693 -11.823 10.207 1.00 44.14 C ATOM 0 H PHE A 83 26.978 -14.180 9.740 1.00 50.34 H new ATOM 0 HA PHE A 83 25.048 -12.864 8.128 1.00 41.54 H new ATOM 0 HB2 PHE A 83 24.647 -14.453 10.061 1.00 75.32 H new ATOM 0 HB3 PHE A 83 25.148 -13.176 11.152 1.00 75.32 H new ATOM 0 HD1 PHE A 83 23.218 -12.498 8.082 1.00 21.31 H new ATOM 0 HD2 PHE A 83 23.035 -13.034 12.304 1.00 51.45 H new ATOM 0 HE1 PHE A 83 20.927 -11.613 8.093 1.00 44.50 H new ATOM 0 HE2 PHE A 83 20.744 -12.148 12.319 1.00 71.15 H new ATOM 0 HZ PHE A 83 19.687 -11.431 10.213 1.00 44.14 H new ATOM 1135 N LEU A 84 26.964 -11.003 9.966 1.00 31.05 N ATOM 1136 CA LEU A 84 27.327 -9.628 10.291 1.00 11.11 C ATOM 1137 C LEU A 84 27.128 -8.713 9.087 1.00 74.21 C ATOM 1138 O LEU A 84 26.920 -7.509 9.236 1.00 1.31 O ATOM 1139 CB LEU A 84 28.781 -9.561 10.762 1.00 51.03 C ATOM 1140 CG LEU A 84 29.036 -8.766 12.043 1.00 72.21 C ATOM 1141 CD1 LEU A 84 28.768 -7.287 11.815 1.00 11.44 C ATOM 1142 CD2 LEU A 84 28.175 -9.297 13.180 1.00 23.21 C ATOM 0 H LEU A 84 27.658 -11.698 10.241 1.00 31.05 H new ATOM 0 HA LEU A 84 26.675 -9.287 11.095 1.00 11.11 H new ATOM 0 HB2 LEU A 84 29.140 -10.579 10.912 1.00 51.03 H new ATOM 0 HB3 LEU A 84 29.381 -9.126 9.963 1.00 51.03 H new ATOM 0 HG LEU A 84 30.083 -8.886 12.320 1.00 72.21 H new ATOM 0 HD11 LEU A 84 28.955 -6.737 12.737 1.00 11.44 H new ATOM 0 HD12 LEU A 84 29.427 -6.915 11.031 1.00 11.44 H new ATOM 0 HD13 LEU A 84 27.730 -7.148 11.513 1.00 11.44 H new ATOM 0 HD21 LEU A 84 28.369 -8.720 14.084 1.00 23.21 H new ATOM 0 HD22 LEU A 84 27.122 -9.208 12.912 1.00 23.21 H new ATOM 0 HD23 LEU A 84 28.416 -10.345 13.360 1.00 23.21 H new ATOM 1154 N CYS A 85 27.190 -9.293 7.893 1.00 30.50 N ATOM 1155 CA CYS A 85 27.015 -8.532 6.662 1.00 32.22 C ATOM 1156 C CYS A 85 25.534 -8.332 6.352 1.00 30.33 C ATOM 1157 O CYS A 85 25.108 -7.237 5.986 1.00 22.35 O ATOM 1158 CB CYS A 85 27.700 -9.245 5.495 1.00 73.53 C ATOM 1159 SG CYS A 85 29.515 -9.312 5.626 1.00 24.13 S ATOM 0 H CYS A 85 27.360 -10.289 7.752 1.00 30.50 H new ATOM 0 HA CYS A 85 27.474 -7.553 6.801 1.00 32.22 H new ATOM 0 HB2 CYS A 85 27.314 -10.262 5.428 1.00 73.53 H new ATOM 0 HB3 CYS A 85 27.432 -8.740 4.567 1.00 73.53 H new ATOM 1164 N ALA A 86 24.755 -9.399 6.502 1.00 52.52 N ATOM 1165 CA ALA A 86 23.322 -9.340 6.240 1.00 30.25 C ATOM 1166 C ALA A 86 22.562 -8.824 7.458 1.00 65.21 C ATOM 1167 O ALA A 86 21.333 -8.876 7.503 1.00 23.24 O ATOM 1168 CB ALA A 86 22.803 -10.712 5.835 1.00 43.22 C ATOM 0 H ALA A 86 25.092 -10.313 6.803 1.00 52.52 H new ATOM 0 HA ALA A 86 23.156 -8.643 5.418 1.00 30.25 H new ATOM 0 HB1 ALA A 86 21.732 -10.653 5.642 1.00 43.22 H new ATOM 0 HB2 ALA A 86 23.316 -11.043 4.932 1.00 43.22 H new ATOM 0 HB3 ALA A 86 22.989 -11.423 6.640 1.00 43.22 H new ATOM 1174 N VAL A 87 23.302 -8.327 8.444 1.00 41.40 N ATOM 1175 CA VAL A 87 22.698 -7.801 9.662 1.00 1.53 C ATOM 1176 C VAL A 87 22.648 -6.277 9.637 1.00 31.03 C ATOM 1177 O VAL A 87 21.607 -5.675 9.903 1.00 43.13 O ATOM 1178 CB VAL A 87 23.470 -8.257 10.914 1.00 24.41 C ATOM 1179 CG1 VAL A 87 23.016 -7.476 12.137 1.00 13.51 C ATOM 1180 CG2 VAL A 87 23.295 -9.753 11.132 1.00 41.34 C ATOM 0 H VAL A 87 24.321 -8.278 8.423 1.00 41.40 H new ATOM 0 HA VAL A 87 21.683 -8.195 9.707 1.00 1.53 H new ATOM 0 HB VAL A 87 24.530 -8.056 10.758 1.00 24.41 H new ATOM 0 HG11 VAL A 87 23.573 -7.813 13.011 1.00 13.51 H new ATOM 0 HG12 VAL A 87 23.198 -6.413 11.978 1.00 13.51 H new ATOM 0 HG13 VAL A 87 21.951 -7.641 12.300 1.00 13.51 H new ATOM 0 HG21 VAL A 87 23.847 -10.058 12.021 1.00 41.34 H new ATOM 0 HG22 VAL A 87 22.237 -9.980 11.266 1.00 41.34 H new ATOM 0 HG23 VAL A 87 23.675 -10.294 10.265 1.00 41.34 H new ATOM 1190 N PHE A 88 23.779 -5.658 9.316 1.00 24.51 N ATOM 1191 CA PHE A 88 23.865 -4.204 9.257 1.00 42.04 C ATOM 1192 C PHE A 88 24.004 -3.726 7.814 1.00 2.12 C ATOM 1193 O PHE A 88 23.619 -2.605 7.479 1.00 25.42 O ATOM 1194 CB PHE A 88 25.051 -3.707 10.087 1.00 73.52 C ATOM 1195 CG PHE A 88 25.178 -4.391 11.418 1.00 3.11 C ATOM 1196 CD1 PHE A 88 25.794 -5.628 11.521 1.00 44.25 C ATOM 1197 CD2 PHE A 88 24.683 -3.796 12.567 1.00 34.43 C ATOM 1198 CE1 PHE A 88 25.912 -6.259 12.744 1.00 23.13 C ATOM 1199 CE2 PHE A 88 24.798 -4.423 13.794 1.00 10.20 C ATOM 1200 CZ PHE A 88 25.415 -5.655 13.883 1.00 74.44 C ATOM 0 H PHE A 88 24.649 -6.141 9.093 1.00 24.51 H new ATOM 0 HA PHE A 88 22.944 -3.794 9.671 1.00 42.04 H new ATOM 0 HB2 PHE A 88 25.970 -3.858 9.520 1.00 73.52 H new ATOM 0 HB3 PHE A 88 24.948 -2.634 10.247 1.00 73.52 H new ATOM 0 HD1 PHE A 88 26.186 -6.104 10.635 1.00 44.25 H new ATOM 0 HD2 PHE A 88 24.202 -2.831 12.504 1.00 34.43 H new ATOM 0 HE1 PHE A 88 26.392 -7.224 12.810 1.00 23.13 H new ATOM 0 HE2 PHE A 88 24.406 -3.950 14.682 1.00 10.20 H new ATOM 0 HZ PHE A 88 25.509 -6.145 14.841 1.00 74.44 H new ATOM 1210 N LYS A 89 24.558 -4.584 6.964 1.00 53.33 N ATOM 1211 CA LYS A 89 24.748 -4.252 5.557 1.00 41.23 C ATOM 1212 C LYS A 89 23.947 -5.193 4.662 1.00 24.15 C ATOM 1213 O LYS A 89 24.501 -6.015 3.932 1.00 3.00 O ATOM 1214 CB LYS A 89 26.232 -4.323 5.191 1.00 24.30 C ATOM 1215 CG LYS A 89 27.102 -3.367 5.988 1.00 0.41 C ATOM 1216 CD LYS A 89 27.649 -4.025 7.244 1.00 42.24 C ATOM 1217 CE LYS A 89 28.065 -2.991 8.279 1.00 12.00 C ATOM 1218 NZ LYS A 89 29.507 -2.639 8.163 1.00 1.23 N ATOM 0 H LYS A 89 24.883 -5.515 7.225 1.00 53.33 H new ATOM 0 HA LYS A 89 24.389 -3.235 5.398 1.00 41.23 H new ATOM 0 HB2 LYS A 89 26.588 -5.341 5.348 1.00 24.30 H new ATOM 0 HB3 LYS A 89 26.346 -4.105 4.129 1.00 24.30 H new ATOM 0 HG2 LYS A 89 27.929 -3.023 5.367 1.00 0.41 H new ATOM 0 HG3 LYS A 89 26.521 -2.486 6.261 1.00 0.41 H new ATOM 0 HD2 LYS A 89 26.892 -4.684 7.670 1.00 42.24 H new ATOM 0 HD3 LYS A 89 28.505 -4.648 6.986 1.00 42.24 H new ATOM 0 HE2 LYS A 89 27.461 -2.092 8.157 1.00 12.00 H new ATOM 0 HE3 LYS A 89 27.865 -3.377 9.279 1.00 12.00 H new ATOM 0 HZ1 LYS A 89 29.631 -1.622 8.340 1.00 1.23 H new ATOM 0 HZ2 LYS A 89 30.054 -3.182 8.861 1.00 1.23 H new ATOM 0 HZ3 LYS A 89 29.844 -2.867 7.206 1.00 1.23 H new ATOM 1232 N PRO A 90 22.613 -5.071 4.718 1.00 31.44 N ATOM 1233 CA PRO A 90 21.708 -5.902 3.918 1.00 0.02 C ATOM 1234 C PRO A 90 21.775 -5.566 2.432 1.00 35.03 C ATOM 1235 O PRO A 90 22.454 -4.622 2.028 1.00 23.41 O ATOM 1236 CB PRO A 90 20.325 -5.564 4.481 1.00 23.34 C ATOM 1237 CG PRO A 90 20.473 -4.197 5.054 1.00 22.02 C ATOM 1238 CD PRO A 90 21.884 -4.113 5.567 1.00 64.14 C ATOM 0 HA PRO A 90 21.962 -6.960 3.982 1.00 0.02 H new ATOM 0 HB2 PRO A 90 19.564 -5.586 3.701 1.00 23.34 H new ATOM 0 HB3 PRO A 90 20.021 -6.282 5.243 1.00 23.34 H new ATOM 0 HG2 PRO A 90 20.287 -3.435 4.298 1.00 22.02 H new ATOM 0 HG3 PRO A 90 19.755 -4.031 5.857 1.00 22.02 H new ATOM 0 HD2 PRO A 90 22.287 -3.105 5.472 1.00 64.14 H new ATOM 0 HD3 PRO A 90 21.945 -4.383 6.621 1.00 64.14 H new ATOM 1246 N LYS A 91 21.064 -6.344 1.622 1.00 2.43 N ATOM 1247 CA LYS A 91 21.040 -6.128 0.180 1.00 24.24 C ATOM 1248 C LYS A 91 19.791 -5.357 -0.234 1.00 63.10 C ATOM 1249 O LYS A 91 18.672 -5.853 -0.105 1.00 33.21 O ATOM 1250 CB LYS A 91 21.094 -7.468 -0.557 1.00 73.11 C ATOM 1251 CG LYS A 91 20.781 -7.359 -2.039 1.00 72.34 C ATOM 1252 CD LYS A 91 21.811 -8.092 -2.882 1.00 60.31 C ATOM 1253 CE LYS A 91 21.677 -7.742 -4.356 1.00 74.01 C ATOM 1254 NZ LYS A 91 23.004 -7.627 -5.022 1.00 54.31 N ATOM 0 H LYS A 91 20.497 -7.130 1.940 1.00 2.43 H new ATOM 0 HA LYS A 91 21.915 -5.537 -0.089 1.00 24.24 H new ATOM 0 HB2 LYS A 91 22.087 -7.901 -0.435 1.00 73.11 H new ATOM 0 HB3 LYS A 91 20.387 -8.157 -0.094 1.00 73.11 H new ATOM 0 HG2 LYS A 91 19.791 -7.771 -2.234 1.00 72.34 H new ATOM 0 HG3 LYS A 91 20.753 -6.309 -2.329 1.00 72.34 H new ATOM 0 HD2 LYS A 91 22.813 -7.838 -2.536 1.00 60.31 H new ATOM 0 HD3 LYS A 91 21.692 -9.167 -2.750 1.00 60.31 H new ATOM 0 HE2 LYS A 91 21.084 -8.506 -4.858 1.00 74.01 H new ATOM 0 HE3 LYS A 91 21.137 -6.801 -4.458 1.00 74.01 H new ATOM 0 HZ1 LYS A 91 22.869 -7.387 -6.025 1.00 54.31 H new ATOM 0 HZ2 LYS A 91 23.561 -6.880 -4.559 1.00 54.31 H new ATOM 0 HZ3 LYS A 91 23.510 -8.533 -4.947 1.00 54.31 H new ATOM 1268 N CYS A 92 19.990 -4.142 -0.734 1.00 22.03 N ATOM 1269 CA CYS A 92 18.881 -3.302 -1.168 1.00 74.45 C ATOM 1270 C CYS A 92 19.007 -2.958 -2.650 1.00 1.44 C ATOM 1271 O CYS A 92 19.986 -2.342 -3.072 1.00 35.41 O ATOM 1272 CB CYS A 92 18.829 -2.019 -0.337 1.00 53.14 C ATOM 1273 SG CYS A 92 17.161 -1.305 -0.176 1.00 13.35 S ATOM 0 H CYS A 92 20.910 -3.717 -0.849 1.00 22.03 H new ATOM 0 HA CYS A 92 17.956 -3.859 -1.020 1.00 74.45 H new ATOM 0 HB2 CYS A 92 19.221 -2.227 0.658 1.00 53.14 H new ATOM 0 HB3 CYS A 92 19.488 -1.278 -0.790 1.00 53.14 H new ATOM 1278 N GLU A 93 18.010 -3.359 -3.432 1.00 41.52 N ATOM 1279 CA GLU A 93 18.011 -3.092 -4.866 1.00 33.21 C ATOM 1280 C GLU A 93 16.611 -2.729 -5.352 1.00 73.24 C ATOM 1281 O GLU A 93 15.634 -2.843 -4.611 1.00 61.34 O ATOM 1282 CB GLU A 93 18.529 -4.310 -5.633 1.00 63.31 C ATOM 1283 CG GLU A 93 19.964 -4.678 -5.293 1.00 33.51 C ATOM 1284 CD GLU A 93 20.915 -3.506 -5.429 1.00 42.35 C ATOM 1285 OE1 GLU A 93 20.659 -2.631 -6.284 1.00 63.50 O ATOM 1286 OE2 GLU A 93 21.915 -3.462 -4.683 1.00 10.02 O ATOM 0 H GLU A 93 17.192 -3.869 -3.098 1.00 41.52 H new ATOM 0 HA GLU A 93 18.673 -2.246 -5.052 1.00 33.21 H new ATOM 0 HB2 GLU A 93 17.884 -5.163 -5.422 1.00 63.31 H new ATOM 0 HB3 GLU A 93 18.457 -4.113 -6.703 1.00 63.31 H new ATOM 0 HG2 GLU A 93 20.005 -5.058 -4.272 1.00 33.51 H new ATOM 0 HG3 GLU A 93 20.293 -5.485 -5.947 1.00 33.51 H new ATOM 1293 N LYS A 94 16.521 -2.291 -6.603 1.00 52.54 N ATOM 1294 CA LYS A 94 15.242 -1.911 -7.191 1.00 52.35 C ATOM 1295 C LYS A 94 14.753 -2.977 -8.166 1.00 70.32 C ATOM 1296 O LYS A 94 15.299 -3.129 -9.259 1.00 61.23 O ATOM 1297 CB LYS A 94 15.367 -0.566 -7.911 1.00 63.03 C ATOM 1298 CG LYS A 94 14.618 0.563 -7.225 1.00 44.32 C ATOM 1299 CD LYS A 94 14.626 1.829 -8.066 1.00 10.01 C ATOM 1300 CE LYS A 94 16.042 2.326 -8.312 1.00 42.13 C ATOM 1301 NZ LYS A 94 16.173 3.784 -8.040 1.00 5.21 N ATOM 0 H LYS A 94 17.319 -2.190 -7.230 1.00 52.54 H new ATOM 0 HA LYS A 94 14.514 -1.819 -6.385 1.00 52.35 H new ATOM 0 HB2 LYS A 94 16.421 -0.299 -7.984 1.00 63.03 H new ATOM 0 HB3 LYS A 94 14.993 -0.672 -8.929 1.00 63.03 H new ATOM 0 HG2 LYS A 94 13.589 0.257 -7.037 1.00 44.32 H new ATOM 0 HG3 LYS A 94 15.073 0.766 -6.255 1.00 44.32 H new ATOM 0 HD2 LYS A 94 14.136 1.636 -9.020 1.00 10.01 H new ATOM 0 HD3 LYS A 94 14.049 2.605 -7.563 1.00 10.01 H new ATOM 0 HE2 LYS A 94 16.736 1.774 -7.678 1.00 42.13 H new ATOM 0 HE3 LYS A 94 16.324 2.122 -9.345 1.00 42.13 H new ATOM 0 HZ1 LYS A 94 17.153 4.084 -8.219 1.00 5.21 H new ATOM 0 HZ2 LYS A 94 15.529 4.313 -8.663 1.00 5.21 H new ATOM 0 HZ3 LYS A 94 15.929 3.975 -7.047 1.00 5.21 H new ATOM 1315 N ILE A 95 13.721 -3.712 -7.764 1.00 5.12 N ATOM 1316 CA ILE A 95 13.158 -4.762 -8.603 1.00 44.14 C ATOM 1317 C ILE A 95 12.053 -4.215 -9.501 1.00 3.04 C ATOM 1318 O ILE A 95 11.019 -3.755 -9.019 1.00 4.35 O ATOM 1319 CB ILE A 95 12.592 -5.917 -7.756 1.00 40.25 C ATOM 1320 CG1 ILE A 95 13.714 -6.601 -6.972 1.00 14.41 C ATOM 1321 CG2 ILE A 95 11.871 -6.920 -8.644 1.00 20.40 C ATOM 1322 CD1 ILE A 95 14.058 -5.901 -5.676 1.00 44.51 C ATOM 0 H ILE A 95 13.258 -3.599 -6.862 1.00 5.12 H new ATOM 0 HA ILE A 95 13.971 -5.141 -9.222 1.00 44.14 H new ATOM 0 HB ILE A 95 11.874 -5.509 -7.044 1.00 40.25 H new ATOM 0 HG12 ILE A 95 13.421 -7.628 -6.754 1.00 14.41 H new ATOM 0 HG13 ILE A 95 14.606 -6.650 -7.597 1.00 14.41 H new ATOM 0 HG21 ILE A 95 11.476 -7.731 -8.031 1.00 20.40 H new ATOM 0 HG22 ILE A 95 11.050 -6.424 -9.162 1.00 20.40 H new ATOM 0 HG23 ILE A 95 12.569 -7.325 -9.376 1.00 20.40 H new ATOM 0 HD11 ILE A 95 14.861 -6.440 -5.173 1.00 44.51 H new ATOM 0 HD12 ILE A 95 14.382 -4.882 -5.888 1.00 44.51 H new ATOM 0 HD13 ILE A 95 13.179 -5.875 -5.032 1.00 44.51 H new ATOM 1334 N ASN A 96 12.279 -4.271 -10.809 1.00 43.42 N ATOM 1335 CA ASN A 96 11.302 -3.782 -11.775 1.00 51.20 C ATOM 1336 C ASN A 96 11.009 -2.301 -11.551 1.00 65.23 C ATOM 1337 O ASN A 96 9.962 -1.797 -11.954 1.00 44.44 O ATOM 1338 CB ASN A 96 10.007 -4.590 -11.675 1.00 15.25 C ATOM 1339 CG ASN A 96 9.114 -4.404 -12.886 1.00 71.34 C ATOM 1340 OD1 ASN A 96 9.371 -4.964 -13.952 1.00 61.22 O ATOM 1341 ND2 ASN A 96 8.058 -3.615 -12.728 1.00 10.21 N ATOM 0 H ASN A 96 13.130 -4.650 -11.225 1.00 43.42 H new ATOM 0 HA ASN A 96 11.723 -3.904 -12.773 1.00 51.20 H new ATOM 0 HB2 ASN A 96 10.249 -5.647 -11.565 1.00 15.25 H new ATOM 0 HB3 ASN A 96 9.464 -4.292 -10.778 1.00 15.25 H new ATOM 0 HD21 ASN A 96 7.421 -3.453 -13.508 1.00 10.21 H new ATOM 0 HD22 ASN A 96 7.883 -3.171 -11.826 1.00 10.21 H new ATOM 1348 N GLY A 97 11.944 -1.610 -10.906 1.00 11.24 N ATOM 1349 CA GLY A 97 11.768 -0.194 -10.640 1.00 22.13 C ATOM 1350 C GLY A 97 11.151 0.068 -9.280 1.00 40.33 C ATOM 1351 O GLY A 97 10.615 1.148 -9.033 1.00 42.25 O ATOM 0 H GLY A 97 12.820 -2.005 -10.563 1.00 11.24 H new ATOM 0 HA2 GLY A 97 12.734 0.307 -10.700 1.00 22.13 H new ATOM 0 HA3 GLY A 97 11.135 0.242 -11.413 1.00 22.13 H new ATOM 1355 N GLU A 98 11.225 -0.923 -8.397 1.00 50.42 N ATOM 1356 CA GLU A 98 10.666 -0.793 -7.057 1.00 22.35 C ATOM 1357 C GLU A 98 11.739 -1.022 -5.996 1.00 1.34 C ATOM 1358 O GLU A 98 12.304 -2.111 -5.893 1.00 41.33 O ATOM 1359 CB GLU A 98 9.519 -1.787 -6.860 1.00 4.01 C ATOM 1360 CG GLU A 98 8.406 -1.642 -7.883 1.00 52.44 C ATOM 1361 CD GLU A 98 7.332 -2.701 -7.732 1.00 30.42 C ATOM 1362 OE1 GLU A 98 7.549 -3.659 -6.960 1.00 63.01 O ATOM 1363 OE2 GLU A 98 6.275 -2.574 -8.384 1.00 41.43 O ATOM 0 H GLU A 98 11.666 -1.823 -8.585 1.00 50.42 H new ATOM 0 HA GLU A 98 10.281 0.221 -6.948 1.00 22.35 H new ATOM 0 HB2 GLU A 98 9.916 -2.801 -6.909 1.00 4.01 H new ATOM 0 HB3 GLU A 98 9.103 -1.655 -5.861 1.00 4.01 H new ATOM 0 HG2 GLU A 98 7.954 -0.655 -7.785 1.00 52.44 H new ATOM 0 HG3 GLU A 98 8.830 -1.700 -8.886 1.00 52.44 H new ATOM 1370 N ASP A 99 12.014 0.013 -5.209 1.00 65.12 N ATOM 1371 CA ASP A 99 13.019 -0.074 -4.155 1.00 51.35 C ATOM 1372 C ASP A 99 12.612 -1.096 -3.099 1.00 75.12 C ATOM 1373 O ASP A 99 11.791 -0.810 -2.228 1.00 51.41 O ATOM 1374 CB ASP A 99 13.226 1.295 -3.505 1.00 50.11 C ATOM 1375 CG ASP A 99 14.105 2.205 -4.340 1.00 3.44 C ATOM 1376 OD1 ASP A 99 15.341 2.023 -4.316 1.00 33.41 O ATOM 1377 OD2 ASP A 99 13.558 3.100 -5.017 1.00 42.22 O ATOM 0 H ASP A 99 11.556 0.921 -5.281 1.00 65.12 H new ATOM 0 HA ASP A 99 13.956 -0.399 -4.606 1.00 51.35 H new ATOM 0 HB2 ASP A 99 12.258 1.771 -3.351 1.00 50.11 H new ATOM 0 HB3 ASP A 99 13.676 1.163 -2.521 1.00 50.11 H new ATOM 1382 N MET A 100 13.190 -2.290 -3.184 1.00 40.40 N ATOM 1383 CA MET A 100 12.887 -3.355 -2.235 1.00 52.40 C ATOM 1384 C MET A 100 14.146 -3.803 -1.501 1.00 23.14 C ATOM 1385 O MET A 100 15.263 -3.522 -1.935 1.00 24.12 O ATOM 1386 CB MET A 100 12.252 -4.545 -2.957 1.00 42.20 C ATOM 1387 CG MET A 100 11.253 -4.143 -4.030 1.00 11.55 C ATOM 1388 SD MET A 100 9.741 -5.123 -3.973 1.00 12.12 S ATOM 1389 CE MET A 100 10.249 -6.582 -4.880 1.00 12.44 C ATOM 0 H MET A 100 13.871 -2.544 -3.900 1.00 40.40 H new ATOM 0 HA MET A 100 12.180 -2.965 -1.502 1.00 52.40 H new ATOM 0 HB2 MET A 100 13.040 -5.146 -3.412 1.00 42.20 H new ATOM 0 HB3 MET A 100 11.751 -5.178 -2.225 1.00 42.20 H new ATOM 0 HG2 MET A 100 11.003 -3.089 -3.911 1.00 11.55 H new ATOM 0 HG3 MET A 100 11.716 -4.252 -5.011 1.00 11.55 H new ATOM 0 HE1 MET A 100 9.977 -7.474 -4.316 1.00 12.44 H new ATOM 0 HE2 MET A 100 9.751 -6.600 -5.849 1.00 12.44 H new ATOM 0 HE3 MET A 100 11.329 -6.561 -5.028 1.00 12.44 H new ATOM 1399 N VAL A 101 13.959 -4.502 -0.385 1.00 54.24 N ATOM 1400 CA VAL A 101 15.080 -4.990 0.409 1.00 52.22 C ATOM 1401 C VAL A 101 15.156 -6.512 0.374 1.00 4.02 C ATOM 1402 O VAL A 101 14.163 -7.188 0.107 1.00 73.13 O ATOM 1403 CB VAL A 101 14.974 -4.525 1.874 1.00 63.25 C ATOM 1404 CG1 VAL A 101 14.932 -3.007 1.950 1.00 4.45 C ATOM 1405 CG2 VAL A 101 13.750 -5.135 2.539 1.00 54.04 C ATOM 0 H VAL A 101 13.041 -4.743 -0.011 1.00 54.24 H new ATOM 0 HA VAL A 101 15.986 -4.574 -0.032 1.00 52.22 H new ATOM 0 HB VAL A 101 15.859 -4.867 2.411 1.00 63.25 H new ATOM 0 HG11 VAL A 101 14.857 -2.697 2.992 1.00 4.45 H new ATOM 0 HG12 VAL A 101 15.842 -2.596 1.513 1.00 4.45 H new ATOM 0 HG13 VAL A 101 14.067 -2.639 1.399 1.00 4.45 H new ATOM 0 HG21 VAL A 101 13.691 -4.796 3.573 1.00 54.04 H new ATOM 0 HG22 VAL A 101 12.853 -4.825 2.004 1.00 54.04 H new ATOM 0 HG23 VAL A 101 13.828 -6.222 2.518 1.00 54.04 H new ATOM 1415 N TYR A 102 16.342 -7.045 0.647 1.00 71.31 N ATOM 1416 CA TYR A 102 16.549 -8.489 0.645 1.00 4.43 C ATOM 1417 C TYR A 102 16.913 -8.988 2.040 1.00 20.31 C ATOM 1418 O TYR A 102 17.882 -8.527 2.645 1.00 62.43 O ATOM 1419 CB TYR A 102 17.651 -8.865 -0.347 1.00 32.51 C ATOM 1420 CG TYR A 102 17.148 -9.085 -1.756 1.00 14.03 C ATOM 1421 CD1 TYR A 102 16.436 -10.231 -2.089 1.00 52.23 C ATOM 1422 CD2 TYR A 102 17.385 -8.147 -2.753 1.00 74.53 C ATOM 1423 CE1 TYR A 102 15.975 -10.436 -3.375 1.00 74.13 C ATOM 1424 CE2 TYR A 102 16.926 -8.344 -4.041 1.00 50.35 C ATOM 1425 CZ TYR A 102 16.222 -9.490 -4.348 1.00 13.54 C ATOM 1426 OH TYR A 102 15.764 -9.689 -5.630 1.00 24.40 O ATOM 0 H TYR A 102 17.174 -6.500 0.872 1.00 71.31 H new ATOM 0 HA TYR A 102 15.617 -8.965 0.340 1.00 4.43 H new ATOM 0 HB2 TYR A 102 18.403 -8.076 -0.358 1.00 32.51 H new ATOM 0 HB3 TYR A 102 18.146 -9.773 -0.001 1.00 32.51 H new ATOM 0 HD1 TYR A 102 16.240 -10.974 -1.330 1.00 52.23 H new ATOM 0 HD2 TYR A 102 17.937 -7.249 -2.517 1.00 74.53 H new ATOM 0 HE1 TYR A 102 15.424 -11.333 -3.617 1.00 74.13 H new ATOM 0 HE2 TYR A 102 17.117 -7.604 -4.804 1.00 50.35 H new ATOM 0 HH TYR A 102 16.022 -8.928 -6.191 1.00 24.40 H new ATOM 1436 N LEU A 103 16.129 -9.934 2.545 1.00 22.42 N ATOM 1437 CA LEU A 103 16.367 -10.499 3.869 1.00 23.20 C ATOM 1438 C LEU A 103 17.326 -11.683 3.792 1.00 41.15 C ATOM 1439 O LEU A 103 17.546 -12.267 2.730 1.00 3.41 O ATOM 1440 CB LEU A 103 15.046 -10.939 4.503 1.00 43.22 C ATOM 1441 CG LEU A 103 13.995 -11.499 3.544 1.00 44.24 C ATOM 1442 CD1 LEU A 103 14.593 -12.598 2.680 1.00 61.43 C ATOM 1443 CD2 LEU A 103 12.792 -12.020 4.316 1.00 41.40 C ATOM 0 H LEU A 103 15.323 -10.326 2.058 1.00 22.42 H new ATOM 0 HA LEU A 103 16.821 -9.727 4.490 1.00 23.20 H new ATOM 0 HB2 LEU A 103 15.262 -11.697 5.256 1.00 43.22 H new ATOM 0 HB3 LEU A 103 14.614 -10.085 5.025 1.00 43.22 H new ATOM 0 HG LEU A 103 13.661 -10.693 2.891 1.00 44.24 H new ATOM 0 HD11 LEU A 103 13.831 -12.985 2.004 1.00 61.43 H new ATOM 0 HD12 LEU A 103 15.422 -12.194 2.099 1.00 61.43 H new ATOM 0 HD13 LEU A 103 14.956 -13.405 3.317 1.00 61.43 H new ATOM 0 HD21 LEU A 103 12.054 -12.415 3.617 1.00 41.40 H new ATOM 0 HD22 LEU A 103 13.110 -12.812 4.994 1.00 41.40 H new ATOM 0 HD23 LEU A 103 12.349 -11.207 4.891 1.00 41.40 H new ATOM 1455 N PRO A 104 17.910 -12.049 4.943 1.00 55.43 N ATOM 1456 CA PRO A 104 18.852 -13.168 5.032 1.00 40.21 C ATOM 1457 C PRO A 104 18.170 -14.517 4.835 1.00 32.32 C ATOM 1458 O PRO A 104 17.202 -14.840 5.524 1.00 72.34 O ATOM 1459 CB PRO A 104 19.407 -13.051 6.454 1.00 63.54 C ATOM 1460 CG PRO A 104 18.344 -12.342 7.219 1.00 72.33 C ATOM 1461 CD PRO A 104 17.693 -11.398 6.246 1.00 45.01 C ATOM 0 HA PRO A 104 19.616 -13.121 4.256 1.00 40.21 H new ATOM 0 HB2 PRO A 104 19.613 -14.033 6.880 1.00 63.54 H new ATOM 0 HB3 PRO A 104 20.344 -12.494 6.469 1.00 63.54 H new ATOM 0 HG2 PRO A 104 17.618 -13.047 7.624 1.00 72.33 H new ATOM 0 HG3 PRO A 104 18.767 -11.800 8.065 1.00 72.33 H new ATOM 0 HD2 PRO A 104 16.632 -11.270 6.459 1.00 45.01 H new ATOM 0 HD3 PRO A 104 18.147 -10.408 6.281 1.00 45.01 H new ATOM 1469 N SER A 105 18.681 -15.302 3.892 1.00 40.22 N ATOM 1470 CA SER A 105 18.118 -16.616 3.603 1.00 44.45 C ATOM 1471 C SER A 105 18.372 -17.581 4.756 1.00 34.14 C ATOM 1472 O SER A 105 19.054 -17.244 5.724 1.00 25.20 O ATOM 1473 CB SER A 105 18.718 -17.177 2.312 1.00 74.42 C ATOM 1474 OG SER A 105 18.239 -16.473 1.179 1.00 65.21 O ATOM 0 H SER A 105 19.484 -15.051 3.315 1.00 40.22 H new ATOM 0 HA SER A 105 17.041 -16.504 3.477 1.00 44.45 H new ATOM 0 HB2 SER A 105 19.805 -17.109 2.353 1.00 74.42 H new ATOM 0 HB3 SER A 105 18.468 -18.234 2.220 1.00 74.42 H new ATOM 0 HG SER A 105 18.638 -16.849 0.367 1.00 65.21 H new ATOM 1480 N TYR A 106 17.816 -18.783 4.646 1.00 4.35 N ATOM 1481 CA TYR A 106 17.979 -19.797 5.681 1.00 60.41 C ATOM 1482 C TYR A 106 19.456 -20.051 5.968 1.00 72.02 C ATOM 1483 O TYR A 106 19.823 -20.462 7.068 1.00 44.21 O ATOM 1484 CB TYR A 106 17.299 -21.101 5.258 1.00 40.42 C ATOM 1485 CG TYR A 106 18.068 -21.873 4.210 1.00 44.52 C ATOM 1486 CD1 TYR A 106 18.169 -21.402 2.906 1.00 13.43 C ATOM 1487 CD2 TYR A 106 18.694 -23.073 4.522 1.00 1.15 C ATOM 1488 CE1 TYR A 106 18.870 -22.104 1.945 1.00 11.22 C ATOM 1489 CE2 TYR A 106 19.399 -23.781 3.568 1.00 13.13 C ATOM 1490 CZ TYR A 106 19.484 -23.292 2.281 1.00 34.51 C ATOM 1491 OH TYR A 106 20.183 -23.996 1.327 1.00 3.54 O ATOM 0 H TYR A 106 17.249 -19.078 3.851 1.00 4.35 H new ATOM 0 HA TYR A 106 17.509 -19.428 6.592 1.00 60.41 H new ATOM 0 HB2 TYR A 106 17.165 -21.732 6.136 1.00 40.42 H new ATOM 0 HB3 TYR A 106 16.305 -20.874 4.873 1.00 40.42 H new ATOM 0 HD1 TYR A 106 17.691 -20.471 2.640 1.00 13.43 H new ATOM 0 HD2 TYR A 106 18.628 -23.459 5.528 1.00 1.15 H new ATOM 0 HE1 TYR A 106 18.937 -21.725 0.936 1.00 11.22 H new ATOM 0 HE2 TYR A 106 19.881 -24.712 3.828 1.00 13.13 H new ATOM 0 HH TYR A 106 20.555 -24.809 1.728 1.00 3.54 H new ATOM 1501 N GLU A 107 20.297 -19.802 4.969 1.00 23.21 N ATOM 1502 CA GLU A 107 21.734 -20.004 5.114 1.00 42.43 C ATOM 1503 C GLU A 107 22.321 -19.027 6.129 1.00 61.11 C ATOM 1504 O GLU A 107 22.922 -19.435 7.122 1.00 2.12 O ATOM 1505 CB GLU A 107 22.434 -19.834 3.763 1.00 32.34 C ATOM 1506 CG GLU A 107 23.640 -20.741 3.585 1.00 2.41 C ATOM 1507 CD GLU A 107 24.895 -19.975 3.213 1.00 60.03 C ATOM 1508 OE1 GLU A 107 25.405 -19.221 4.068 1.00 54.43 O ATOM 1509 OE2 GLU A 107 25.367 -20.130 2.067 1.00 1.31 O ATOM 0 H GLU A 107 20.009 -19.461 4.052 1.00 23.21 H new ATOM 0 HA GLU A 107 21.898 -21.019 5.475 1.00 42.43 H new ATOM 0 HB2 GLU A 107 21.719 -20.033 2.965 1.00 32.34 H new ATOM 0 HB3 GLU A 107 22.751 -18.797 3.655 1.00 32.34 H new ATOM 0 HG2 GLU A 107 23.815 -21.292 4.509 1.00 2.41 H new ATOM 0 HG3 GLU A 107 23.425 -21.477 2.811 1.00 2.41 H new ATOM 1516 N MET A 108 22.142 -17.736 5.871 1.00 42.33 N ATOM 1517 CA MET A 108 22.653 -16.701 6.762 1.00 43.31 C ATOM 1518 C MET A 108 22.124 -16.894 8.179 1.00 0.14 C ATOM 1519 O MET A 108 22.845 -16.685 9.156 1.00 73.42 O ATOM 1520 CB MET A 108 22.264 -15.315 6.244 1.00 5.53 C ATOM 1521 CG MET A 108 22.675 -15.067 4.802 1.00 62.22 C ATOM 1522 SD MET A 108 24.464 -15.088 4.576 1.00 51.14 S ATOM 1523 CE MET A 108 24.812 -13.334 4.467 1.00 32.33 C ATOM 0 H MET A 108 21.647 -17.382 5.053 1.00 42.33 H new ATOM 0 HA MET A 108 23.740 -16.780 6.785 1.00 43.31 H new ATOM 0 HB2 MET A 108 21.184 -15.194 6.331 1.00 5.53 H new ATOM 0 HB3 MET A 108 22.722 -14.557 6.879 1.00 5.53 H new ATOM 0 HG2 MET A 108 22.223 -15.826 4.164 1.00 62.22 H new ATOM 0 HG3 MET A 108 22.283 -14.103 4.477 1.00 62.22 H new ATOM 0 HE1 MET A 108 25.845 -13.187 4.151 1.00 32.33 H new ATOM 0 HE2 MET A 108 24.141 -12.874 3.741 1.00 32.33 H new ATOM 0 HE3 MET A 108 24.662 -12.872 5.443 1.00 32.33 H new ATOM 1533 N CYS A 109 20.861 -17.293 8.285 1.00 10.03 N ATOM 1534 CA CYS A 109 20.235 -17.514 9.583 1.00 15.31 C ATOM 1535 C CYS A 109 20.661 -18.855 10.172 1.00 72.53 C ATOM 1536 O CYS A 109 20.606 -19.058 11.385 1.00 65.11 O ATOM 1537 CB CYS A 109 18.711 -17.462 9.453 1.00 70.43 C ATOM 1538 SG CYS A 109 17.955 -15.959 10.150 1.00 2.21 S ATOM 0 H CYS A 109 20.251 -17.470 7.487 1.00 10.03 H new ATOM 0 HA CYS A 109 20.563 -16.722 10.256 1.00 15.31 H new ATOM 0 HB2 CYS A 109 18.445 -17.534 8.399 1.00 70.43 H new ATOM 0 HB3 CYS A 109 18.285 -18.334 9.950 1.00 70.43 H new ATOM 1543 N ARG A 110 21.085 -19.768 9.304 1.00 71.12 N ATOM 1544 CA ARG A 110 21.520 -21.091 9.737 1.00 55.41 C ATOM 1545 C ARG A 110 22.847 -21.009 10.485 1.00 11.41 C ATOM 1546 O ARG A 110 23.054 -21.705 11.479 1.00 10.25 O ATOM 1547 CB ARG A 110 21.657 -22.025 8.534 1.00 61.24 C ATOM 1548 CG ARG A 110 22.388 -23.320 8.849 1.00 61.05 C ATOM 1549 CD ARG A 110 21.723 -24.512 8.178 1.00 65.20 C ATOM 1550 NE ARG A 110 22.622 -25.660 8.086 1.00 43.53 N ATOM 1551 CZ ARG A 110 22.257 -26.843 7.605 1.00 13.24 C ATOM 1552 NH1 ARG A 110 21.017 -27.033 7.176 1.00 71.22 N ATOM 1553 NH2 ARG A 110 23.132 -27.839 7.554 1.00 42.43 N ATOM 0 H ARG A 110 21.137 -19.616 8.297 1.00 71.12 H new ATOM 0 HA ARG A 110 20.765 -21.491 10.414 1.00 55.41 H new ATOM 0 HB2 ARG A 110 20.663 -22.262 8.153 1.00 61.24 H new ATOM 0 HB3 ARG A 110 22.187 -21.503 7.738 1.00 61.24 H new ATOM 0 HG2 ARG A 110 23.423 -23.245 8.517 1.00 61.05 H new ATOM 0 HG3 ARG A 110 22.410 -23.474 9.928 1.00 61.05 H new ATOM 0 HD2 ARG A 110 20.832 -24.793 8.739 1.00 65.20 H new ATOM 0 HD3 ARG A 110 21.394 -24.228 7.178 1.00 65.20 H new ATOM 0 HE ARG A 110 23.583 -25.547 8.409 1.00 43.53 H new ATOM 0 HH11 ARG A 110 20.341 -26.270 7.215 1.00 71.22 H new ATOM 0 HH12 ARG A 110 20.739 -27.942 6.807 1.00 71.22 H new ATOM 0 HH21 ARG A 110 24.086 -27.697 7.884 1.00 42.43 H new ATOM 0 HH22 ARG A 110 22.850 -28.747 7.184 1.00 42.43 H new ATOM 1567 N ILE A 111 23.742 -20.155 10.000 1.00 52.30 N ATOM 1568 CA ILE A 111 25.048 -19.982 10.623 1.00 1.21 C ATOM 1569 C ILE A 111 24.920 -19.824 12.134 1.00 13.24 C ATOM 1570 O ILE A 111 25.675 -20.424 12.900 1.00 71.44 O ATOM 1571 CB ILE A 111 25.787 -18.758 10.051 1.00 0.52 C ATOM 1572 CG1 ILE A 111 25.744 -18.777 8.522 1.00 64.31 C ATOM 1573 CG2 ILE A 111 27.225 -18.728 10.546 1.00 23.21 C ATOM 1574 CD1 ILE A 111 26.116 -20.116 7.924 1.00 25.23 C ATOM 0 H ILE A 111 23.586 -19.572 9.178 1.00 52.30 H new ATOM 0 HA ILE A 111 25.624 -20.880 10.402 1.00 1.21 H new ATOM 0 HB ILE A 111 25.285 -17.855 10.398 1.00 0.52 H new ATOM 0 HG12 ILE A 111 24.741 -18.506 8.191 1.00 64.31 H new ATOM 0 HG13 ILE A 111 26.423 -18.015 8.138 1.00 64.31 H new ATOM 0 HG21 ILE A 111 27.734 -17.857 10.133 1.00 23.21 H new ATOM 0 HG22 ILE A 111 27.234 -18.671 11.634 1.00 23.21 H new ATOM 0 HG23 ILE A 111 27.739 -19.634 10.226 1.00 23.21 H new ATOM 0 HD11 ILE A 111 26.064 -20.056 6.837 1.00 25.23 H new ATOM 0 HD12 ILE A 111 27.130 -20.380 8.225 1.00 25.23 H new ATOM 0 HD13 ILE A 111 25.422 -20.878 8.279 1.00 25.23 H new ATOM 1586 N THR A 112 23.956 -19.012 12.559 1.00 22.24 N ATOM 1587 CA THR A 112 23.727 -18.775 13.979 1.00 25.31 C ATOM 1588 C THR A 112 22.681 -19.734 14.535 1.00 60.30 C ATOM 1589 O THR A 112 21.759 -19.322 15.237 1.00 14.24 O ATOM 1590 CB THR A 112 23.271 -17.328 14.241 1.00 50.54 C ATOM 1591 OG1 THR A 112 23.060 -17.126 15.643 1.00 60.14 O ATOM 1592 CG2 THR A 112 21.990 -17.018 13.480 1.00 22.33 C ATOM 0 H THR A 112 23.322 -18.508 11.940 1.00 22.24 H new ATOM 0 HA THR A 112 24.677 -18.945 14.485 1.00 25.31 H new ATOM 0 HB THR A 112 24.054 -16.655 13.892 1.00 50.54 H new ATOM 0 HG1 THR A 112 22.288 -17.653 15.937 1.00 60.14 H new ATOM 0 HG21 THR A 112 21.687 -15.990 13.681 1.00 22.33 H new ATOM 0 HG22 THR A 112 22.162 -17.143 12.411 1.00 22.33 H new ATOM 0 HG23 THR A 112 21.202 -17.698 13.803 1.00 22.33 H new ATOM 1600 N MET A 113 22.831 -21.016 14.217 1.00 41.25 N ATOM 1601 CA MET A 113 21.899 -22.034 14.687 1.00 52.13 C ATOM 1602 C MET A 113 22.155 -22.371 16.152 1.00 1.42 C ATOM 1603 O MET A 113 21.219 -22.525 16.935 1.00 14.12 O ATOM 1604 CB MET A 113 22.017 -23.298 13.833 1.00 41.34 C ATOM 1605 CG MET A 113 23.448 -23.777 13.652 1.00 43.14 C ATOM 1606 SD MET A 113 23.549 -25.346 12.769 1.00 31.10 S ATOM 1607 CE MET A 113 24.196 -24.805 11.189 1.00 25.02 C ATOM 0 H MET A 113 23.589 -21.374 13.636 1.00 41.25 H new ATOM 0 HA MET A 113 20.889 -21.635 14.595 1.00 52.13 H new ATOM 0 HB2 MET A 113 21.432 -24.094 14.294 1.00 41.34 H new ATOM 0 HB3 MET A 113 21.580 -23.107 12.853 1.00 41.34 H new ATOM 0 HG2 MET A 113 24.014 -23.021 13.108 1.00 43.14 H new ATOM 0 HG3 MET A 113 23.918 -23.884 14.630 1.00 43.14 H new ATOM 0 HE1 MET A 113 23.607 -25.245 10.385 1.00 25.02 H new ATOM 0 HE2 MET A 113 24.141 -23.718 11.126 1.00 25.02 H new ATOM 0 HE3 MET A 113 25.235 -25.122 11.093 1.00 25.02 H new ATOM 1617 N GLU A 114 23.429 -22.483 16.515 1.00 61.20 N ATOM 1618 CA GLU A 114 23.807 -22.803 17.887 1.00 54.14 C ATOM 1619 C GLU A 114 24.857 -21.824 18.404 1.00 20.30 C ATOM 1620 O GLU A 114 25.967 -22.205 18.776 1.00 62.23 O ATOM 1621 CB GLU A 114 24.341 -24.234 17.972 1.00 63.04 C ATOM 1622 CG GLU A 114 23.394 -25.273 17.396 1.00 34.02 C ATOM 1623 CD GLU A 114 24.083 -26.590 17.098 1.00 22.22 C ATOM 1624 OE1 GLU A 114 24.842 -27.072 17.964 1.00 24.43 O ATOM 1625 OE2 GLU A 114 23.863 -27.139 15.998 1.00 11.20 O ATOM 0 H GLU A 114 24.216 -22.357 15.879 1.00 61.20 H new ATOM 0 HA GLU A 114 22.918 -22.718 18.511 1.00 54.14 H new ATOM 0 HB2 GLU A 114 25.293 -24.290 17.443 1.00 63.04 H new ATOM 0 HB3 GLU A 114 24.541 -24.476 19.016 1.00 63.04 H new ATOM 0 HG2 GLU A 114 22.579 -25.445 18.099 1.00 34.02 H new ATOM 0 HG3 GLU A 114 22.949 -24.885 16.480 1.00 34.02 H new ATOM 1632 N PRO A 115 24.500 -20.532 18.428 1.00 13.34 N ATOM 1633 CA PRO A 115 25.396 -19.471 18.898 1.00 64.32 C ATOM 1634 C PRO A 115 25.633 -19.536 20.403 1.00 55.31 C ATOM 1635 O PRO A 115 26.772 -19.474 20.866 1.00 32.11 O ATOM 1636 CB PRO A 115 24.651 -18.187 18.528 1.00 14.30 C ATOM 1637 CG PRO A 115 23.215 -18.582 18.483 1.00 51.15 C ATOM 1638 CD PRO A 115 23.193 -20.006 18.000 1.00 15.03 C ATOM 0 HA PRO A 115 26.387 -19.548 18.452 1.00 64.32 H new ATOM 0 HB2 PRO A 115 24.823 -17.403 19.265 1.00 14.30 H new ATOM 0 HB3 PRO A 115 24.985 -17.799 17.566 1.00 14.30 H new ATOM 0 HG2 PRO A 115 22.756 -18.497 19.468 1.00 51.15 H new ATOM 0 HG3 PRO A 115 22.653 -17.933 17.812 1.00 51.15 H new ATOM 0 HD2 PRO A 115 22.370 -20.567 18.442 1.00 15.03 H new ATOM 0 HD3 PRO A 115 23.072 -20.061 16.918 1.00 15.03 H new ATOM 1646 N CYS A 116 24.549 -19.660 21.162 1.00 22.42 N ATOM 1647 CA CYS A 116 24.638 -19.733 22.616 1.00 72.44 C ATOM 1648 C CYS A 116 23.601 -20.703 23.176 1.00 64.43 C ATOM 1649 O CYS A 116 22.444 -20.703 22.755 1.00 4.40 O ATOM 1650 CB CYS A 116 24.439 -18.346 23.230 1.00 73.42 C ATOM 1651 SG CYS A 116 25.927 -17.297 23.194 1.00 1.30 S ATOM 0 H CYS A 116 23.599 -19.712 20.794 1.00 22.42 H new ATOM 0 HA CYS A 116 25.631 -20.099 22.877 1.00 72.44 H new ATOM 0 HB2 CYS A 116 23.635 -17.837 22.698 1.00 73.42 H new ATOM 0 HB3 CYS A 116 24.114 -18.461 24.264 1.00 73.42 H new ATOM 1656 N ARG A 117 24.025 -21.529 24.127 1.00 62.12 N ATOM 1657 CA ARG A 117 23.135 -22.505 24.744 1.00 12.31 C ATOM 1658 C ARG A 117 21.898 -21.823 25.322 1.00 51.14 C ATOM 1659 O ARG A 117 20.847 -22.447 25.472 1.00 12.50 O ATOM 1660 CB ARG A 117 23.869 -23.271 25.846 1.00 71.53 C ATOM 1661 CG ARG A 117 22.944 -24.058 26.760 1.00 21.11 C ATOM 1662 CD ARG A 117 23.727 -24.961 27.701 1.00 54.02 C ATOM 1663 NE ARG A 117 22.878 -25.534 28.742 1.00 12.31 N ATOM 1664 CZ ARG A 117 23.346 -26.229 29.772 1.00 24.04 C ATOM 1665 NH1 ARG A 117 24.650 -26.436 29.899 1.00 72.34 N ATOM 1666 NH2 ARG A 117 22.510 -26.718 30.679 1.00 25.34 N ATOM 0 H ARG A 117 24.979 -21.542 24.487 1.00 62.12 H new ATOM 0 HA ARG A 117 22.816 -23.207 23.973 1.00 12.31 H new ATOM 0 HB2 ARG A 117 24.582 -23.956 25.388 1.00 71.53 H new ATOM 0 HB3 ARG A 117 24.445 -22.566 26.445 1.00 71.53 H new ATOM 0 HG2 ARG A 117 22.332 -23.368 27.341 1.00 21.11 H new ATOM 0 HG3 ARG A 117 22.263 -24.660 26.159 1.00 21.11 H new ATOM 0 HD2 ARG A 117 24.192 -25.764 27.129 1.00 54.02 H new ATOM 0 HD3 ARG A 117 24.533 -24.391 28.163 1.00 54.02 H new ATOM 0 HE ARG A 117 21.870 -25.393 28.674 1.00 12.31 H new ATOM 0 HH11 ARG A 117 25.296 -26.061 29.204 1.00 72.34 H new ATOM 0 HH12 ARG A 117 25.007 -26.970 30.691 1.00 72.34 H new ATOM 0 HH21 ARG A 117 21.507 -26.560 30.585 1.00 25.34 H new ATOM 0 HH22 ARG A 117 22.871 -27.252 31.470 1.00 25.34 H new ATOM 1680 N ILE A 118 22.031 -20.541 25.643 1.00 5.34 N ATOM 1681 CA ILE A 118 20.925 -19.775 26.204 1.00 50.04 C ATOM 1682 C ILE A 118 20.154 -19.043 25.110 1.00 32.24 C ATOM 1683 O ILE A 118 19.005 -18.645 25.306 1.00 12.43 O ATOM 1684 CB ILE A 118 21.418 -18.750 27.242 1.00 23.20 C ATOM 1685 CG1 ILE A 118 22.222 -19.450 28.339 1.00 24.25 C ATOM 1686 CG2 ILE A 118 20.241 -17.994 27.841 1.00 65.25 C ATOM 1687 CD1 ILE A 118 21.463 -20.562 29.029 1.00 1.12 C ATOM 0 H ILE A 118 22.894 -20.010 25.524 1.00 5.34 H new ATOM 0 HA ILE A 118 20.265 -20.489 26.697 1.00 50.04 H new ATOM 0 HB ILE A 118 22.069 -18.033 26.742 1.00 23.20 H new ATOM 0 HG12 ILE A 118 23.134 -19.859 27.905 1.00 24.25 H new ATOM 0 HG13 ILE A 118 22.526 -18.713 29.082 1.00 24.25 H new ATOM 0 HG21 ILE A 118 20.606 -17.273 28.573 1.00 65.25 H new ATOM 0 HG22 ILE A 118 19.706 -17.469 27.050 1.00 65.25 H new ATOM 0 HG23 ILE A 118 19.567 -18.698 28.330 1.00 65.25 H new ATOM 0 HD11 ILE A 118 22.094 -21.013 29.794 1.00 1.12 H new ATOM 0 HD12 ILE A 118 20.564 -20.156 29.493 1.00 1.12 H new ATOM 0 HD13 ILE A 118 21.183 -21.320 28.297 1.00 1.12 H new ATOM 1699 N LEU A 119 20.792 -18.871 23.958 1.00 10.01 N ATOM 1700 CA LEU A 119 20.166 -18.189 22.831 1.00 14.51 C ATOM 1701 C LEU A 119 19.887 -19.163 21.691 1.00 2.20 C ATOM 1702 O LEU A 119 19.884 -18.780 20.521 1.00 74.12 O ATOM 1703 CB LEU A 119 21.060 -17.050 22.337 1.00 24.35 C ATOM 1704 CG LEU A 119 21.706 -16.186 23.421 1.00 51.20 C ATOM 1705 CD1 LEU A 119 22.313 -14.931 22.812 1.00 73.41 C ATOM 1706 CD2 LEU A 119 20.686 -15.822 24.491 1.00 65.03 C ATOM 0 H LEU A 119 21.743 -19.194 23.780 1.00 10.01 H new ATOM 0 HA LEU A 119 19.217 -17.776 23.171 1.00 14.51 H new ATOM 0 HB2 LEU A 119 21.851 -17.477 21.721 1.00 24.35 H new ATOM 0 HB3 LEU A 119 20.467 -16.403 21.690 1.00 24.35 H new ATOM 0 HG LEU A 119 22.505 -16.761 23.889 1.00 51.20 H new ATOM 0 HD11 LEU A 119 22.768 -14.329 23.598 1.00 73.41 H new ATOM 0 HD12 LEU A 119 23.074 -15.211 22.083 1.00 73.41 H new ATOM 0 HD13 LEU A 119 21.533 -14.353 22.317 1.00 73.41 H new ATOM 0 HD21 LEU A 119 21.163 -15.207 25.254 1.00 65.03 H new ATOM 0 HD22 LEU A 119 19.866 -15.266 24.037 1.00 65.03 H new ATOM 0 HD23 LEU A 119 20.298 -16.732 24.948 1.00 65.03 H new ATOM 1718 N TYR A 120 19.652 -20.423 22.041 1.00 42.44 N ATOM 1719 CA TYR A 120 19.373 -21.452 21.047 1.00 73.13 C ATOM 1720 C TYR A 120 18.283 -20.996 20.081 1.00 10.23 C ATOM 1721 O TYR A 120 18.344 -21.272 18.884 1.00 13.10 O ATOM 1722 CB TYR A 120 18.950 -22.752 21.733 1.00 13.12 C ATOM 1723 CG TYR A 120 17.768 -22.589 22.662 1.00 73.41 C ATOM 1724 CD1 TYR A 120 17.941 -22.152 23.969 1.00 12.40 C ATOM 1725 CD2 TYR A 120 16.477 -22.873 22.231 1.00 2.35 C ATOM 1726 CE1 TYR A 120 16.864 -22.003 24.821 1.00 53.50 C ATOM 1727 CE2 TYR A 120 15.394 -22.725 23.076 1.00 31.11 C ATOM 1728 CZ TYR A 120 15.592 -22.290 24.370 1.00 64.21 C ATOM 1729 OH TYR A 120 14.517 -22.142 25.215 1.00 14.41 O ATOM 0 H TYR A 120 19.649 -20.756 23.005 1.00 42.44 H new ATOM 0 HA TYR A 120 20.286 -21.629 20.479 1.00 73.13 H new ATOM 0 HB2 TYR A 120 18.704 -23.492 20.971 1.00 13.12 H new ATOM 0 HB3 TYR A 120 19.794 -23.146 22.298 1.00 13.12 H new ATOM 0 HD1 TYR A 120 18.935 -21.925 24.325 1.00 12.40 H new ATOM 0 HD2 TYR A 120 16.318 -23.215 21.219 1.00 2.35 H new ATOM 0 HE1 TYR A 120 17.017 -21.664 25.835 1.00 53.50 H new ATOM 0 HE2 TYR A 120 14.397 -22.949 22.725 1.00 31.11 H new ATOM 0 HH TYR A 120 13.693 -22.384 24.742 1.00 14.41 H new ATOM 1739 N ASN A 121 17.287 -20.295 20.613 1.00 53.34 N ATOM 1740 CA ASN A 121 16.182 -19.799 19.799 1.00 3.12 C ATOM 1741 C ASN A 121 16.135 -18.274 19.818 1.00 34.10 C ATOM 1742 O ASN A 121 15.496 -17.651 18.969 1.00 2.31 O ATOM 1743 CB ASN A 121 14.855 -20.368 20.303 1.00 34.14 C ATOM 1744 CG ASN A 121 13.933 -19.292 20.844 1.00 34.53 C ATOM 1745 OD1 ASN A 121 14.384 -18.591 21.877 1.00 23.12 O flip ATOM 1746 ND2 ASN A 121 12.827 -19.095 20.339 1.00 5.50 N flip ATOM 0 H ASN A 121 17.222 -20.058 21.603 1.00 53.34 H new ATOM 0 HA ASN A 121 16.343 -20.127 18.772 1.00 3.12 H new ATOM 0 HB2 ASN A 121 14.356 -20.895 19.489 1.00 34.14 H new ATOM 0 HB3 ASN A 121 15.051 -21.102 21.085 1.00 34.14 H new ATOM 0 HD21 ASN A 121 12.521 -19.658 19.545 1.00 5.50 H new ATOM 0 HD22 ASN A 121 12.217 -18.369 20.714 1.00 5.50 H new ATOM 1753 N THR A 122 16.815 -17.678 20.792 1.00 21.02 N ATOM 1754 CA THR A 122 16.850 -16.227 20.923 1.00 45.13 C ATOM 1755 C THR A 122 15.512 -15.686 21.413 1.00 61.15 C ATOM 1756 O THR A 122 14.500 -15.779 20.717 1.00 43.04 O ATOM 1757 CB THR A 122 17.206 -15.551 19.585 1.00 73.12 C ATOM 1758 OG1 THR A 122 18.248 -16.281 18.929 1.00 45.01 O ATOM 1759 CG2 THR A 122 17.648 -14.113 19.806 1.00 3.40 C ATOM 0 H THR A 122 17.349 -18.178 21.502 1.00 21.02 H new ATOM 0 HA THR A 122 17.622 -15.994 21.656 1.00 45.13 H new ATOM 0 HB THR A 122 16.315 -15.548 18.957 1.00 73.12 H new ATOM 0 HG1 THR A 122 18.467 -15.846 18.079 1.00 45.01 H new ATOM 0 HG21 THR A 122 17.894 -13.657 18.847 1.00 3.40 H new ATOM 0 HG22 THR A 122 16.841 -13.553 20.278 1.00 3.40 H new ATOM 0 HG23 THR A 122 18.526 -14.097 20.451 1.00 3.40 H new ATOM 1767 N THR A 123 15.512 -15.120 22.615 1.00 2.43 N ATOM 1768 CA THR A 123 14.298 -14.564 23.199 1.00 73.04 C ATOM 1769 C THR A 123 14.624 -13.593 24.327 1.00 3.40 C ATOM 1770 O THR A 123 13.797 -13.344 25.204 1.00 2.24 O ATOM 1771 CB THR A 123 13.377 -15.673 23.742 1.00 61.13 C ATOM 1772 OG1 THR A 123 14.133 -16.867 23.974 1.00 73.14 O ATOM 1773 CG2 THR A 123 12.247 -15.964 22.766 1.00 15.22 C ATOM 0 H THR A 123 16.340 -15.034 23.204 1.00 2.43 H new ATOM 0 HA THR A 123 13.781 -14.030 22.402 1.00 73.04 H new ATOM 0 HB THR A 123 12.945 -15.329 24.681 1.00 61.13 H new ATOM 0 HG1 THR A 123 14.153 -17.405 23.155 1.00 73.14 H new ATOM 0 HG21 THR A 123 11.610 -16.750 23.171 1.00 15.22 H new ATOM 0 HG22 THR A 123 11.656 -15.061 22.614 1.00 15.22 H new ATOM 0 HG23 THR A 123 12.664 -16.290 21.813 1.00 15.22 H new ATOM 1781 N PHE A 124 15.835 -13.045 24.298 1.00 31.25 N ATOM 1782 CA PHE A 124 16.271 -12.100 25.320 1.00 30.30 C ATOM 1783 C PHE A 124 16.553 -10.731 24.709 1.00 0.31 C ATOM 1784 O PHE A 124 15.962 -9.727 25.108 1.00 3.11 O ATOM 1785 CB PHE A 124 17.523 -12.623 26.028 1.00 72.24 C ATOM 1786 CG PHE A 124 17.285 -13.879 26.816 1.00 30.23 C ATOM 1787 CD1 PHE A 124 16.527 -13.852 27.976 1.00 52.33 C ATOM 1788 CD2 PHE A 124 17.819 -15.087 26.398 1.00 61.20 C ATOM 1789 CE1 PHE A 124 16.307 -15.006 28.704 1.00 43.14 C ATOM 1790 CE2 PHE A 124 17.603 -16.245 27.122 1.00 55.24 C ATOM 1791 CZ PHE A 124 16.845 -16.204 28.275 1.00 33.15 C ATOM 0 H PHE A 124 16.531 -13.239 23.578 1.00 31.25 H new ATOM 0 HA PHE A 124 15.467 -11.995 26.049 1.00 30.30 H new ATOM 0 HB2 PHE A 124 18.299 -12.811 25.286 1.00 72.24 H new ATOM 0 HB3 PHE A 124 17.902 -11.850 26.697 1.00 72.24 H new ATOM 0 HD1 PHE A 124 16.103 -12.918 28.315 1.00 52.33 H new ATOM 0 HD2 PHE A 124 18.411 -15.125 25.496 1.00 61.20 H new ATOM 0 HE1 PHE A 124 15.715 -14.971 29.607 1.00 43.14 H new ATOM 0 HE2 PHE A 124 18.027 -17.180 26.786 1.00 55.24 H new ATOM 0 HZ PHE A 124 16.673 -17.107 28.841 1.00 33.15 H new ATOM 1801 N PHE A 125 17.461 -10.698 23.739 1.00 54.20 N ATOM 1802 CA PHE A 125 17.823 -9.452 23.073 1.00 22.12 C ATOM 1803 C PHE A 125 17.940 -9.655 21.565 1.00 34.14 C ATOM 1804 O PHE A 125 19.033 -9.771 21.012 1.00 41.54 O ATOM 1805 CB PHE A 125 19.144 -8.917 23.631 1.00 51.04 C ATOM 1806 CG PHE A 125 18.971 -8.017 24.820 1.00 5.53 C ATOM 1807 CD1 PHE A 125 18.658 -6.677 24.653 1.00 74.54 C ATOM 1808 CD2 PHE A 125 19.124 -8.509 26.106 1.00 31.14 C ATOM 1809 CE1 PHE A 125 18.498 -5.846 25.745 1.00 32.13 C ATOM 1810 CE2 PHE A 125 18.965 -7.683 27.203 1.00 51.23 C ATOM 1811 CZ PHE A 125 18.653 -6.349 27.022 1.00 32.50 C ATOM 0 H PHE A 125 17.959 -11.519 23.397 1.00 54.20 H new ATOM 0 HA PHE A 125 17.034 -8.724 23.263 1.00 22.12 H new ATOM 0 HB2 PHE A 125 19.778 -9.758 23.911 1.00 51.04 H new ATOM 0 HB3 PHE A 125 19.667 -8.371 22.845 1.00 51.04 H new ATOM 0 HD1 PHE A 125 18.538 -6.278 23.657 1.00 74.54 H new ATOM 0 HD2 PHE A 125 19.370 -9.550 26.253 1.00 31.14 H new ATOM 0 HE1 PHE A 125 18.252 -4.804 25.600 1.00 32.13 H new ATOM 0 HE2 PHE A 125 19.084 -8.080 28.200 1.00 51.23 H new ATOM 0 HZ PHE A 125 18.531 -5.701 27.877 1.00 32.50 H new ATOM 1821 N PRO A 126 16.785 -9.701 20.884 1.00 10.42 N ATOM 1822 CA PRO A 126 16.730 -9.890 19.432 1.00 52.24 C ATOM 1823 C PRO A 126 17.245 -8.674 18.669 1.00 64.43 C ATOM 1824 O PRO A 126 17.387 -8.710 17.446 1.00 15.41 O ATOM 1825 CB PRO A 126 15.239 -10.100 19.158 1.00 55.03 C ATOM 1826 CG PRO A 126 14.546 -9.413 20.284 1.00 21.50 C ATOM 1827 CD PRO A 126 15.444 -9.570 21.480 1.00 65.24 C ATOM 0 HA PRO A 126 17.359 -10.718 19.105 1.00 52.24 H new ATOM 0 HB2 PRO A 126 14.950 -9.675 18.197 1.00 55.03 H new ATOM 0 HB3 PRO A 126 14.988 -11.160 19.126 1.00 55.03 H new ATOM 0 HG2 PRO A 126 14.380 -8.360 20.056 1.00 21.50 H new ATOM 0 HG3 PRO A 126 13.568 -9.857 20.469 1.00 21.50 H new ATOM 0 HD2 PRO A 126 15.382 -8.709 22.145 1.00 65.24 H new ATOM 0 HD3 PRO A 126 15.179 -10.448 22.070 1.00 65.24 H new ATOM 1835 N LYS A 127 17.526 -7.600 19.398 1.00 41.55 N ATOM 1836 CA LYS A 127 18.028 -6.373 18.790 1.00 2.45 C ATOM 1837 C LYS A 127 19.241 -6.658 17.910 1.00 54.20 C ATOM 1838 O LYS A 127 19.280 -6.264 16.744 1.00 20.11 O ATOM 1839 CB LYS A 127 18.399 -5.358 19.874 1.00 0.32 C ATOM 1840 CG LYS A 127 19.605 -4.505 19.522 1.00 45.14 C ATOM 1841 CD LYS A 127 19.382 -3.727 18.236 1.00 71.15 C ATOM 1842 CE LYS A 127 19.213 -2.240 18.506 1.00 43.12 C ATOM 1843 NZ LYS A 127 18.068 -1.968 19.419 1.00 65.25 N ATOM 0 H LYS A 127 17.415 -7.554 20.411 1.00 41.55 H new ATOM 0 HA LYS A 127 17.238 -5.957 18.165 1.00 2.45 H new ATOM 0 HB2 LYS A 127 17.545 -4.706 20.057 1.00 0.32 H new ATOM 0 HB3 LYS A 127 18.600 -5.890 20.804 1.00 0.32 H new ATOM 0 HG2 LYS A 127 19.811 -3.811 20.337 1.00 45.14 H new ATOM 0 HG3 LYS A 127 20.483 -5.142 19.415 1.00 45.14 H new ATOM 0 HD2 LYS A 127 20.227 -3.882 17.565 1.00 71.15 H new ATOM 0 HD3 LYS A 127 18.496 -4.108 17.728 1.00 71.15 H new ATOM 0 HE2 LYS A 127 20.129 -1.844 18.945 1.00 43.12 H new ATOM 0 HE3 LYS A 127 19.058 -1.715 17.563 1.00 43.12 H new ATOM 0 HZ1 LYS A 127 17.825 -0.958 19.380 1.00 65.25 H new ATOM 0 HZ2 LYS A 127 17.247 -2.533 19.124 1.00 65.25 H new ATOM 0 HZ3 LYS A 127 18.332 -2.223 20.392 1.00 65.25 H new ATOM 1857 N PHE A 128 20.227 -7.346 18.475 1.00 45.24 N ATOM 1858 CA PHE A 128 21.441 -7.684 17.740 1.00 21.33 C ATOM 1859 C PHE A 128 21.387 -9.123 17.235 1.00 44.03 C ATOM 1860 O PHE A 128 22.364 -9.638 16.688 1.00 12.01 O ATOM 1861 CB PHE A 128 22.671 -7.490 18.629 1.00 3.40 C ATOM 1862 CG PHE A 128 22.995 -8.687 19.475 1.00 31.45 C ATOM 1863 CD1 PHE A 128 22.319 -8.916 20.663 1.00 72.20 C ATOM 1864 CD2 PHE A 128 23.976 -9.584 19.084 1.00 72.32 C ATOM 1865 CE1 PHE A 128 22.614 -10.018 21.444 1.00 11.31 C ATOM 1866 CE2 PHE A 128 24.275 -10.688 19.861 1.00 52.35 C ATOM 1867 CZ PHE A 128 23.594 -10.904 21.043 1.00 50.03 C ATOM 0 H PHE A 128 20.210 -7.680 19.438 1.00 45.24 H new ATOM 0 HA PHE A 128 21.514 -7.018 16.880 1.00 21.33 H new ATOM 0 HB2 PHE A 128 23.530 -7.256 18.000 1.00 3.40 H new ATOM 0 HB3 PHE A 128 22.508 -6.630 19.278 1.00 3.40 H new ATOM 0 HD1 PHE A 128 21.553 -8.225 20.982 1.00 72.20 H new ATOM 0 HD2 PHE A 128 24.513 -9.419 18.162 1.00 72.32 H new ATOM 0 HE1 PHE A 128 22.078 -10.186 22.367 1.00 11.31 H new ATOM 0 HE2 PHE A 128 25.040 -11.381 19.544 1.00 52.35 H new ATOM 0 HZ PHE A 128 23.828 -11.764 21.653 1.00 50.03 H new ATOM 1877 N LEU A 129 20.241 -9.767 17.422 1.00 53.13 N ATOM 1878 CA LEU A 129 20.058 -11.147 16.986 1.00 42.05 C ATOM 1879 C LEU A 129 18.879 -11.263 16.025 1.00 62.02 C ATOM 1880 O LEU A 129 18.269 -12.325 15.900 1.00 23.24 O ATOM 1881 CB LEU A 129 19.838 -12.059 18.193 1.00 22.44 C ATOM 1882 CG LEU A 129 20.879 -11.959 19.309 1.00 41.20 C ATOM 1883 CD1 LEU A 129 20.265 -12.338 20.648 1.00 41.33 C ATOM 1884 CD2 LEU A 129 22.078 -12.843 19.001 1.00 64.43 C ATOM 0 H LEU A 129 19.424 -9.356 17.873 1.00 53.13 H new ATOM 0 HA LEU A 129 20.962 -11.459 16.462 1.00 42.05 H new ATOM 0 HB2 LEU A 129 18.858 -11.838 18.617 1.00 22.44 H new ATOM 0 HB3 LEU A 129 19.808 -13.091 17.843 1.00 22.44 H new ATOM 0 HG LEU A 129 21.221 -10.926 19.369 1.00 41.20 H new ATOM 0 HD11 LEU A 129 21.021 -12.261 21.430 1.00 41.33 H new ATOM 0 HD12 LEU A 129 19.439 -11.663 20.874 1.00 41.33 H new ATOM 0 HD13 LEU A 129 19.894 -13.362 20.602 1.00 41.33 H new ATOM 0 HD21 LEU A 129 22.808 -12.759 19.806 1.00 64.43 H new ATOM 0 HD22 LEU A 129 21.753 -13.880 18.913 1.00 64.43 H new ATOM 0 HD23 LEU A 129 22.533 -12.525 18.063 1.00 64.43 H new ATOM 1896 N ARG A 130 18.565 -10.164 15.346 1.00 22.41 N ATOM 1897 CA ARG A 130 17.460 -10.143 14.395 1.00 20.25 C ATOM 1898 C ARG A 130 17.641 -11.217 13.327 1.00 64.31 C ATOM 1899 O ARG A 130 18.294 -10.990 12.308 1.00 61.33 O ATOM 1900 CB ARG A 130 17.352 -8.767 13.737 1.00 50.31 C ATOM 1901 CG ARG A 130 16.917 -7.667 14.692 1.00 60.11 C ATOM 1902 CD ARG A 130 15.565 -7.975 15.317 1.00 5.13 C ATOM 1903 NE ARG A 130 14.537 -8.211 14.308 1.00 35.32 N ATOM 1904 CZ ARG A 130 13.303 -8.611 14.596 1.00 11.12 C ATOM 1905 NH1 ARG A 130 12.946 -8.817 15.856 1.00 25.14 N ATOM 1906 NH2 ARG A 130 12.423 -8.804 13.622 1.00 34.53 N ATOM 0 H ARG A 130 19.060 -9.277 15.437 1.00 22.41 H new ATOM 0 HA ARG A 130 16.540 -10.350 14.941 1.00 20.25 H new ATOM 0 HB2 ARG A 130 18.318 -8.502 13.307 1.00 50.31 H new ATOM 0 HB3 ARG A 130 16.641 -8.823 12.913 1.00 50.31 H new ATOM 0 HG2 ARG A 130 17.664 -7.549 15.477 1.00 60.11 H new ATOM 0 HG3 ARG A 130 16.864 -6.719 14.157 1.00 60.11 H new ATOM 0 HD2 ARG A 130 15.653 -8.853 15.957 1.00 5.13 H new ATOM 0 HD3 ARG A 130 15.263 -7.144 15.955 1.00 5.13 H new ATOM 0 HE ARG A 130 14.779 -8.061 13.329 1.00 35.32 H new ATOM 0 HH11 ARG A 130 13.619 -8.668 16.608 1.00 25.14 H new ATOM 0 HH12 ARG A 130 11.998 -9.124 16.074 1.00 25.14 H new ATOM 0 HH21 ARG A 130 12.694 -8.645 12.651 1.00 34.53 H new ATOM 0 HH22 ARG A 130 11.476 -9.111 13.844 1.00 34.53 H new ATOM 1920 N CYS A 131 17.060 -12.388 13.567 1.00 1.23 N ATOM 1921 CA CYS A 131 17.158 -13.498 12.627 1.00 13.13 C ATOM 1922 C CYS A 131 16.042 -14.511 12.865 1.00 71.51 C ATOM 1923 O CYS A 131 15.785 -14.913 13.999 1.00 1.52 O ATOM 1924 CB CYS A 131 18.520 -14.183 12.755 1.00 73.14 C ATOM 1925 SG CYS A 131 18.588 -15.845 12.011 1.00 45.30 S ATOM 0 H CYS A 131 16.516 -12.593 14.405 1.00 1.23 H new ATOM 0 HA CYS A 131 17.053 -13.099 11.618 1.00 13.13 H new ATOM 0 HB2 CYS A 131 19.277 -13.555 12.285 1.00 73.14 H new ATOM 0 HB3 CYS A 131 18.779 -14.258 13.811 1.00 73.14 H new ATOM 1930 N ASN A 132 15.383 -14.921 11.786 1.00 34.21 N ATOM 1931 CA ASN A 132 14.294 -15.888 11.877 1.00 42.33 C ATOM 1932 C ASN A 132 14.835 -17.298 12.089 1.00 24.23 C ATOM 1933 O ASN A 132 15.505 -17.854 11.219 1.00 1.23 O ATOM 1934 CB ASN A 132 13.438 -15.843 10.609 1.00 23.52 C ATOM 1935 CG ASN A 132 13.351 -14.449 10.019 1.00 34.21 C ATOM 1936 OD1 ASN A 132 13.605 -14.249 8.831 1.00 1.45 O ATOM 1937 ND2 ASN A 132 12.989 -13.477 10.849 1.00 61.51 N ATOM 0 H ASN A 132 15.584 -14.599 10.839 1.00 34.21 H new ATOM 0 HA ASN A 132 13.676 -15.623 12.735 1.00 42.33 H new ATOM 0 HB2 ASN A 132 13.857 -16.523 9.867 1.00 23.52 H new ATOM 0 HB3 ASN A 132 12.434 -16.201 10.839 1.00 23.52 H new ATOM 0 HD21 ASN A 132 12.912 -12.518 10.509 1.00 61.51 H new ATOM 0 HD22 ASN A 132 12.788 -13.689 11.826 1.00 61.51 H new ATOM 1944 N GLU A 133 14.539 -17.871 13.252 1.00 44.20 N ATOM 1945 CA GLU A 133 14.997 -19.216 13.578 1.00 32.44 C ATOM 1946 C GLU A 133 13.856 -20.223 13.458 1.00 1.11 C ATOM 1947 O GLU A 133 13.794 -20.998 12.503 1.00 24.44 O ATOM 1948 CB GLU A 133 15.576 -19.253 14.994 1.00 44.40 C ATOM 1949 CG GLU A 133 15.946 -20.649 15.465 1.00 60.22 C ATOM 1950 CD GLU A 133 17.393 -20.752 15.905 1.00 64.41 C ATOM 1951 OE1 GLU A 133 17.843 -19.877 16.674 1.00 50.34 O ATOM 1952 OE2 GLU A 133 18.076 -21.708 15.481 1.00 4.10 O ATOM 0 H GLU A 133 13.985 -17.425 13.983 1.00 44.20 H new ATOM 0 HA GLU A 133 15.777 -19.489 12.867 1.00 32.44 H new ATOM 0 HB2 GLU A 133 16.462 -18.619 15.032 1.00 44.40 H new ATOM 0 HB3 GLU A 133 14.850 -18.826 15.686 1.00 44.40 H new ATOM 0 HG2 GLU A 133 15.297 -20.933 16.294 1.00 60.22 H new ATOM 0 HG3 GLU A 133 15.764 -21.360 14.660 1.00 60.22 H new ATOM 1959 N THR A 134 12.954 -20.205 14.434 1.00 33.33 N ATOM 1960 CA THR A 134 11.816 -21.116 14.440 1.00 21.30 C ATOM 1961 C THR A 134 11.006 -20.992 13.155 1.00 71.32 C ATOM 1962 O THR A 134 10.306 -21.925 12.758 1.00 52.34 O ATOM 1963 CB THR A 134 10.892 -20.853 15.644 1.00 73.14 C ATOM 1964 OG1 THR A 134 10.181 -19.624 15.456 1.00 22.11 O ATOM 1965 CG2 THR A 134 11.691 -20.790 16.936 1.00 20.44 C ATOM 0 H THR A 134 12.989 -19.569 15.231 1.00 33.33 H new ATOM 0 HA THR A 134 12.220 -22.126 14.516 1.00 21.30 H new ATOM 0 HB THR A 134 10.181 -21.676 15.715 1.00 73.14 H new ATOM 0 HG1 THR A 134 9.594 -19.465 16.225 1.00 22.11 H new ATOM 0 HG21 THR A 134 11.017 -20.603 17.772 1.00 20.44 H new ATOM 0 HG22 THR A 134 12.208 -21.737 17.091 1.00 20.44 H new ATOM 0 HG23 THR A 134 12.422 -19.984 16.873 1.00 20.44 H new ATOM 1973 N LEU A 135 11.105 -19.836 12.508 1.00 64.44 N ATOM 1974 CA LEU A 135 10.382 -19.591 11.265 1.00 13.40 C ATOM 1975 C LEU A 135 10.893 -20.495 10.149 1.00 65.14 C ATOM 1976 O LEU A 135 11.676 -21.414 10.390 1.00 64.22 O ATOM 1977 CB LEU A 135 10.520 -18.124 10.853 1.00 63.03 C ATOM 1978 CG LEU A 135 10.113 -17.090 11.903 1.00 75.12 C ATOM 1979 CD1 LEU A 135 9.946 -15.719 11.266 1.00 72.34 C ATOM 1980 CD2 LEU A 135 8.829 -17.516 12.600 1.00 13.11 C ATOM 0 H LEU A 135 11.679 -19.054 12.823 1.00 64.44 H new ATOM 0 HA LEU A 135 9.329 -19.817 11.436 1.00 13.40 H new ATOM 0 HB2 LEU A 135 11.558 -17.942 10.576 1.00 63.03 H new ATOM 0 HB3 LEU A 135 9.918 -17.961 9.959 1.00 63.03 H new ATOM 0 HG LEU A 135 10.905 -17.027 12.649 1.00 75.12 H new ATOM 0 HD11 LEU A 135 9.656 -14.996 12.029 1.00 72.34 H new ATOM 0 HD12 LEU A 135 10.889 -15.411 10.813 1.00 72.34 H new ATOM 0 HD13 LEU A 135 9.173 -15.766 10.499 1.00 72.34 H new ATOM 0 HD21 LEU A 135 8.554 -16.769 13.344 1.00 13.11 H new ATOM 0 HD22 LEU A 135 8.029 -17.608 11.865 1.00 13.11 H new ATOM 0 HD23 LEU A 135 8.983 -18.477 13.091 1.00 13.11 H new ATOM 1992 N PHE A 136 10.448 -20.227 8.926 1.00 74.23 N ATOM 1993 CA PHE A 136 10.861 -21.016 7.771 1.00 24.22 C ATOM 1994 C PHE A 136 11.541 -20.136 6.726 1.00 15.11 C ATOM 1995 O PHE A 136 10.977 -19.828 5.676 1.00 72.33 O ATOM 1996 CB PHE A 136 9.655 -21.724 7.152 1.00 73.23 C ATOM 1997 CG PHE A 136 9.283 -22.999 7.853 1.00 34.21 C ATOM 1998 CD1 PHE A 136 8.977 -22.998 9.205 1.00 61.24 C ATOM 1999 CD2 PHE A 136 9.238 -24.199 7.161 1.00 51.41 C ATOM 2000 CE1 PHE A 136 8.635 -24.170 9.852 1.00 22.24 C ATOM 2001 CE2 PHE A 136 8.896 -25.374 7.803 1.00 3.23 C ATOM 2002 CZ PHE A 136 8.594 -25.359 9.151 1.00 75.23 C ATOM 0 H PHE A 136 9.801 -19.469 8.709 1.00 74.23 H new ATOM 0 HA PHE A 136 11.577 -21.764 8.111 1.00 24.22 H new ATOM 0 HB2 PHE A 136 8.800 -21.048 7.167 1.00 73.23 H new ATOM 0 HB3 PHE A 136 9.870 -21.943 6.106 1.00 73.23 H new ATOM 0 HD1 PHE A 136 9.006 -22.071 9.759 1.00 61.24 H new ATOM 0 HD2 PHE A 136 9.473 -24.216 6.107 1.00 51.41 H new ATOM 0 HE1 PHE A 136 8.400 -24.156 10.906 1.00 22.24 H new ATOM 0 HE2 PHE A 136 8.865 -26.302 7.252 1.00 3.23 H new ATOM 0 HZ PHE A 136 8.326 -26.276 9.656 1.00 75.23 H new ATOM 2012 N PRO A 137 12.781 -19.720 7.020 1.00 43.40 N ATOM 2013 CA PRO A 137 13.565 -18.869 6.119 1.00 11.03 C ATOM 2014 C PRO A 137 14.006 -19.609 4.861 1.00 54.52 C ATOM 2015 O PRO A 137 13.936 -20.836 4.792 1.00 23.25 O ATOM 2016 CB PRO A 137 14.780 -18.482 6.965 1.00 5.23 C ATOM 2017 CG PRO A 137 14.914 -19.581 7.962 1.00 62.33 C ATOM 2018 CD PRO A 137 13.515 -20.048 8.254 1.00 51.21 C ATOM 0 HA PRO A 137 12.989 -18.016 5.760 1.00 11.03 H new ATOM 0 HB2 PRO A 137 15.677 -18.392 6.352 1.00 5.23 H new ATOM 0 HB3 PRO A 137 14.631 -17.520 7.455 1.00 5.23 H new ATOM 0 HG2 PRO A 137 15.522 -20.394 7.567 1.00 62.33 H new ATOM 0 HG3 PRO A 137 15.405 -19.228 8.869 1.00 62.33 H new ATOM 0 HD2 PRO A 137 13.484 -21.116 8.468 1.00 51.21 H new ATOM 0 HD3 PRO A 137 13.094 -19.538 9.120 1.00 51.21 H new