USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=31 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 : amide:sc= -1.91 K(o=-1.9,f=-0.62) USER MOD Set 1.2: A 122 THR OG1 : rot 116:sc= 0.00323 USER MOD Set 2.1: A 28 TYR OH : rot 80:sc= 0.663 USER MOD Set 2.2: A 47 SER OG : rot -133:sc= 1.82 USER MOD Single : A 21 MET CE :methyl 161:sc= -1.54 (180deg=-2.11!) USER MOD Single : A 30 THR OG1 : rot -150:sc= 0.108 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 58:sc= 0.305 USER MOD Single : A 35 ASN : amide:sc= -6.13! C(o=-6.1!,f=-8.6!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0357) USER MOD Single : A 44 TYR OH : rot 47:sc= 1.25 USER MOD Single : A 48 SER OG : rot 105:sc= 1.26 USER MOD Single : A 52 THR OG1 : rot -120:sc= -0.105 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 56 THR OG1 : rot 130:sc= -0.835 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.11) USER MOD Single : A 63 LYS NZ :NH3+ -118:sc= -1.09 (180deg=-2.95!) USER MOD Single : A 65 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 67 TYR OH : rot -30:sc= 0.13! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 0.155 (180deg=0.149) 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= -1.4 X(o=-1.4,f=-1.2) USER MOD Single : A 89 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.178) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -142:sc= -0.0385 (180deg=-0.366) USER MOD Single : A 96 ASN : amide:sc= -0.607 X(o=-0.61,f=-0.31) USER MOD Single : A 100 MET CE :methyl -166:sc= -0.502 (180deg=-0.841) USER MOD Single : A 102 TYR OH : rot 146:sc= 0.328 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 136:sc= -1.33 (180deg=-5.16!) USER MOD Single : A 112 THR OG1 : rot -48:sc= -0.361 USER MOD Single : A 113 MET CE :methyl -133:sc= -2.6 (180deg=-7.9!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ -140:sc= -0.218 (180deg=-2.03!) USER MOD Single : A 132 ASN : amide:sc= -0.194 K(o=-0.19,f=1.1) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0.0624 USER MOD ----------------------------------------------------------------- ATOM 127 N MET A 21 11.253 -12.376 2.042 1.00 32.23 N ATOM 128 CA MET A 21 12.659 -11.993 2.103 1.00 73.33 C ATOM 129 C MET A 21 12.897 -10.681 1.362 1.00 21.22 C ATOM 130 O MET A 21 14.034 -10.225 1.238 1.00 53.25 O ATOM 131 CB MET A 21 13.536 -13.096 1.506 1.00 13.20 C ATOM 132 CG MET A 21 14.263 -13.926 2.551 1.00 30.21 C ATOM 133 SD MET A 21 14.267 -15.686 2.160 1.00 33.42 S ATOM 134 CE MET A 21 12.740 -16.209 2.937 1.00 11.03 C ATOM 0 HA MET A 21 12.927 -11.852 3.150 1.00 73.33 H new ATOM 0 HB2 MET A 21 12.915 -13.754 0.899 1.00 13.20 H new ATOM 0 HB3 MET A 21 14.269 -12.644 0.838 1.00 13.20 H new ATOM 0 HG2 MET A 21 15.291 -13.575 2.638 1.00 30.21 H new ATOM 0 HG3 MET A 21 13.792 -13.775 3.522 1.00 30.21 H new ATOM 0 HE1 MET A 21 12.426 -17.164 2.515 1.00 11.03 H new ATOM 0 HE2 MET A 21 12.897 -16.320 4.010 1.00 11.03 H new ATOM 0 HE3 MET A 21 11.967 -15.462 2.759 1.00 11.03 H new ATOM 144 N VAL A 22 11.818 -10.079 0.872 1.00 42.10 N ATOM 145 CA VAL A 22 11.910 -8.819 0.144 1.00 4.34 C ATOM 146 C VAL A 22 10.741 -7.901 0.484 1.00 71.42 C ATOM 147 O VAL A 22 9.664 -8.365 0.859 1.00 52.12 O ATOM 148 CB VAL A 22 11.942 -9.051 -1.378 1.00 13.40 C ATOM 149 CG1 VAL A 22 12.549 -7.851 -2.089 1.00 13.53 C ATOM 150 CG2 VAL A 22 12.711 -10.321 -1.707 1.00 50.13 C ATOM 0 H VAL A 22 10.870 -10.444 0.966 1.00 42.10 H new ATOM 0 HA VAL A 22 12.842 -8.344 0.450 1.00 4.34 H new ATOM 0 HB VAL A 22 10.918 -9.172 -1.731 1.00 13.40 H new ATOM 0 HG11 VAL A 22 12.563 -8.034 -3.164 1.00 13.53 H new ATOM 0 HG12 VAL A 22 11.952 -6.964 -1.880 1.00 13.53 H new ATOM 0 HG13 VAL A 22 13.568 -7.695 -1.734 1.00 13.53 H new ATOM 0 HG21 VAL A 22 12.724 -10.469 -2.787 1.00 50.13 H new ATOM 0 HG22 VAL A 22 13.734 -10.232 -1.341 1.00 50.13 H new ATOM 0 HG23 VAL A 22 12.228 -11.173 -1.229 1.00 50.13 H new ATOM 160 N ARG A 23 10.960 -6.598 0.349 1.00 4.43 N ATOM 161 CA ARG A 23 9.925 -5.614 0.642 1.00 33.35 C ATOM 162 C ARG A 23 10.271 -4.261 0.029 1.00 10.32 C ATOM 163 O ARG A 23 11.441 -3.886 -0.051 1.00 52.51 O ATOM 164 CB ARG A 23 9.742 -5.470 2.154 1.00 3.54 C ATOM 165 CG ARG A 23 10.748 -4.532 2.802 1.00 12.41 C ATOM 166 CD ARG A 23 10.569 -4.480 4.311 1.00 5.14 C ATOM 167 NE ARG A 23 11.602 -5.240 5.011 1.00 74.41 N ATOM 168 CZ ARG A 23 11.558 -5.517 6.309 1.00 34.23 C ATOM 169 NH1 ARG A 23 10.538 -5.099 7.046 1.00 55.54 N ATOM 170 NH2 ARG A 23 12.535 -6.215 6.874 1.00 42.32 N ATOM 0 H ARG A 23 11.846 -6.198 0.038 1.00 4.43 H new ATOM 0 HA ARG A 23 8.991 -5.964 0.202 1.00 33.35 H new ATOM 0 HB2 ARG A 23 8.735 -5.105 2.357 1.00 3.54 H new ATOM 0 HB3 ARG A 23 9.824 -6.453 2.617 1.00 3.54 H new ATOM 0 HG2 ARG A 23 11.760 -4.862 2.566 1.00 12.41 H new ATOM 0 HG3 ARG A 23 10.634 -3.531 2.386 1.00 12.41 H new ATOM 0 HD2 ARG A 23 10.594 -3.442 4.644 1.00 5.14 H new ATOM 0 HD3 ARG A 23 9.588 -4.875 4.574 1.00 5.14 H new ATOM 0 HE ARG A 23 12.401 -5.576 4.473 1.00 74.41 H new ATOM 0 HH11 ARG A 23 9.784 -4.563 6.616 1.00 55.54 H new ATOM 0 HH12 ARG A 23 10.507 -5.314 8.043 1.00 55.54 H new ATOM 0 HH21 ARG A 23 13.321 -6.540 6.311 1.00 42.32 H new ATOM 0 HH22 ARG A 23 12.500 -6.427 7.871 1.00 42.32 H new ATOM 184 N ARG A 24 9.246 -3.533 -0.402 1.00 42.23 N ATOM 185 CA ARG A 24 9.442 -2.222 -1.010 1.00 22.11 C ATOM 186 C ARG A 24 9.802 -1.181 0.047 1.00 61.55 C ATOM 187 O ARG A 24 8.977 -0.347 0.416 1.00 12.04 O ATOM 188 CB ARG A 24 8.180 -1.789 -1.758 1.00 60.32 C ATOM 189 CG ARG A 24 7.789 -2.729 -2.887 1.00 43.45 C ATOM 190 CD ARG A 24 6.573 -2.216 -3.642 1.00 74.43 C ATOM 191 NE ARG A 24 5.346 -2.353 -2.861 1.00 63.41 N ATOM 192 CZ ARG A 24 4.205 -1.749 -3.172 1.00 42.34 C ATOM 193 NH1 ARG A 24 4.134 -0.970 -4.243 1.00 63.22 N ATOM 194 NH2 ARG A 24 3.132 -1.923 -2.412 1.00 12.30 N ATOM 0 H ARG A 24 8.272 -3.829 -0.342 1.00 42.23 H new ATOM 0 HA ARG A 24 10.268 -2.297 -1.718 1.00 22.11 H new ATOM 0 HB2 ARG A 24 7.354 -1.721 -1.050 1.00 60.32 H new ATOM 0 HB3 ARG A 24 8.334 -0.790 -2.165 1.00 60.32 H new ATOM 0 HG2 ARG A 24 8.626 -2.840 -3.576 1.00 43.45 H new ATOM 0 HG3 ARG A 24 7.576 -3.718 -2.481 1.00 43.45 H new ATOM 0 HD2 ARG A 24 6.723 -1.168 -3.901 1.00 74.43 H new ATOM 0 HD3 ARG A 24 6.470 -2.764 -4.578 1.00 74.43 H new ATOM 0 HE ARG A 24 5.367 -2.945 -2.031 1.00 63.41 H new ATOM 0 HH11 ARG A 24 4.957 -0.834 -4.830 1.00 63.22 H new ATOM 0 HH12 ARG A 24 3.256 -0.507 -4.480 1.00 63.22 H new ATOM 0 HH21 ARG A 24 3.183 -2.521 -1.587 1.00 12.30 H new ATOM 0 HH22 ARG A 24 2.256 -1.458 -2.652 1.00 12.30 H new ATOM 208 N ALA A 25 11.039 -1.238 0.528 1.00 24.33 N ATOM 209 CA ALA A 25 11.509 -0.301 1.541 1.00 51.55 C ATOM 210 C ALA A 25 12.495 0.699 0.947 1.00 4.51 C ATOM 211 O ALA A 25 13.172 0.407 -0.039 1.00 41.40 O ATOM 212 CB ALA A 25 12.148 -1.051 2.699 1.00 21.14 C ATOM 0 H ALA A 25 11.734 -1.923 0.233 1.00 24.33 H new ATOM 0 HA ALA A 25 10.648 0.254 1.914 1.00 51.55 H new ATOM 0 HB1 ALA A 25 12.494 -0.338 3.447 1.00 21.14 H new ATOM 0 HB2 ALA A 25 11.414 -1.721 3.148 1.00 21.14 H new ATOM 0 HB3 ALA A 25 12.994 -1.633 2.333 1.00 21.14 H new ATOM 218 N ARG A 26 12.571 1.880 1.553 1.00 23.33 N ATOM 219 CA ARG A 26 13.474 2.923 1.083 1.00 10.51 C ATOM 220 C ARG A 26 14.892 2.384 0.922 1.00 61.22 C ATOM 221 O ARG A 26 15.201 1.277 1.365 1.00 52.05 O ATOM 222 CB ARG A 26 13.474 4.104 2.056 1.00 53.00 C ATOM 223 CG ARG A 26 13.730 5.445 1.387 1.00 31.41 C ATOM 224 CD ARG A 26 13.192 6.596 2.222 1.00 20.24 C ATOM 225 NE ARG A 26 13.915 6.742 3.483 1.00 35.52 N ATOM 226 CZ ARG A 26 15.129 7.273 3.577 1.00 35.54 C ATOM 227 NH1 ARG A 26 15.752 7.706 2.491 1.00 42.22 N ATOM 228 NH2 ARG A 26 15.721 7.371 4.761 1.00 71.13 N ATOM 0 H ARG A 26 12.018 2.138 2.370 1.00 23.33 H new ATOM 0 HA ARG A 26 13.120 3.262 0.109 1.00 10.51 H new ATOM 0 HB2 ARG A 26 12.513 4.141 2.569 1.00 53.00 H new ATOM 0 HB3 ARG A 26 14.236 3.936 2.818 1.00 53.00 H new ATOM 0 HG2 ARG A 26 14.801 5.577 1.231 1.00 31.41 H new ATOM 0 HG3 ARG A 26 13.261 5.457 0.403 1.00 31.41 H new ATOM 0 HD2 ARG A 26 13.266 7.522 1.652 1.00 20.24 H new ATOM 0 HD3 ARG A 26 12.134 6.431 2.427 1.00 20.24 H new ATOM 0 HE ARG A 26 13.463 6.418 4.338 1.00 35.52 H new ATOM 0 HH11 ARG A 26 15.300 7.632 1.580 1.00 42.22 H new ATOM 0 HH12 ARG A 26 16.684 8.113 2.566 1.00 42.22 H new ATOM 0 HH21 ARG A 26 15.244 7.039 5.599 1.00 71.13 H new ATOM 0 HH22 ARG A 26 16.653 7.779 4.833 1.00 71.13 H new ATOM 242 N CYS A 27 15.751 3.173 0.285 1.00 71.44 N ATOM 243 CA CYS A 27 17.136 2.775 0.063 1.00 31.03 C ATOM 244 C CYS A 27 18.047 3.997 -0.011 1.00 62.34 C ATOM 245 O CYS A 27 17.727 4.984 -0.674 1.00 61.54 O ATOM 246 CB CYS A 27 17.254 1.957 -1.224 1.00 42.45 C ATOM 247 SG CYS A 27 16.992 0.169 -0.996 1.00 45.04 S ATOM 0 H CYS A 27 15.512 4.092 -0.087 1.00 71.44 H new ATOM 0 HA CYS A 27 17.451 2.159 0.906 1.00 31.03 H new ATOM 0 HB2 CYS A 27 16.528 2.330 -1.947 1.00 42.45 H new ATOM 0 HB3 CYS A 27 18.243 2.116 -1.654 1.00 42.45 H new ATOM 252 N TYR A 28 19.183 3.923 0.673 1.00 65.44 N ATOM 253 CA TYR A 28 20.141 5.023 0.686 1.00 34.50 C ATOM 254 C TYR A 28 21.560 4.512 0.459 1.00 42.24 C ATOM 255 O TYR A 28 21.898 3.374 0.785 1.00 42.11 O ATOM 256 CB TYR A 28 20.064 5.776 2.015 1.00 44.42 C ATOM 257 CG TYR A 28 20.351 4.909 3.220 1.00 15.41 C ATOM 258 CD1 TYR A 28 21.653 4.564 3.559 1.00 71.13 C ATOM 259 CD2 TYR A 28 19.318 4.437 4.021 1.00 60.31 C ATOM 260 CE1 TYR A 28 21.919 3.771 4.659 1.00 54.44 C ATOM 261 CE2 TYR A 28 19.574 3.645 5.124 1.00 65.15 C ATOM 262 CZ TYR A 28 20.876 3.315 5.438 1.00 62.41 C ATOM 263 OH TYR A 28 21.137 2.526 6.535 1.00 11.12 O ATOM 0 H TYR A 28 19.463 3.113 1.226 1.00 65.44 H new ATOM 0 HA TYR A 28 19.886 5.704 -0.126 1.00 34.50 H new ATOM 0 HB2 TYR A 28 20.774 6.603 1.996 1.00 44.42 H new ATOM 0 HB3 TYR A 28 19.070 6.211 2.119 1.00 44.42 H new ATOM 0 HD1 TYR A 28 22.472 4.922 2.952 1.00 71.13 H new ATOM 0 HD2 TYR A 28 18.298 4.694 3.777 1.00 60.31 H new ATOM 0 HE1 TYR A 28 22.937 3.510 4.907 1.00 54.44 H new ATOM 0 HE2 TYR A 28 18.760 3.287 5.736 1.00 65.15 H new ATOM 0 HH TYR A 28 21.420 3.091 7.284 1.00 11.12 H new ATOM 273 N PRO A 29 22.413 5.374 -0.115 1.00 11.33 N ATOM 274 CA PRO A 29 23.811 5.035 -0.398 1.00 74.02 C ATOM 275 C PRO A 29 24.644 4.903 0.872 1.00 42.11 C ATOM 276 O PRO A 29 24.825 5.870 1.612 1.00 15.54 O ATOM 277 CB PRO A 29 24.299 6.218 -1.238 1.00 63.52 C ATOM 278 CG PRO A 29 23.419 7.352 -0.843 1.00 52.42 C ATOM 279 CD PRO A 29 22.079 6.747 -0.530 1.00 35.02 C ATOM 0 HA PRO A 29 23.904 4.072 -0.899 1.00 74.02 H new ATOM 0 HB2 PRO A 29 25.347 6.441 -1.036 1.00 63.52 H new ATOM 0 HB3 PRO A 29 24.218 6.007 -2.304 1.00 63.52 H new ATOM 0 HG2 PRO A 29 23.823 7.876 0.024 1.00 52.42 H new ATOM 0 HG3 PRO A 29 23.339 8.082 -1.648 1.00 52.42 H new ATOM 0 HD2 PRO A 29 21.567 7.293 0.262 1.00 35.02 H new ATOM 0 HD3 PRO A 29 21.421 6.755 -1.399 1.00 35.02 H new ATOM 287 N THR A 30 25.152 3.699 1.119 1.00 52.50 N ATOM 288 CA THR A 30 25.966 3.441 2.300 1.00 71.02 C ATOM 289 C THR A 30 27.218 4.311 2.306 1.00 73.12 C ATOM 290 O THR A 30 27.321 5.262 3.081 1.00 74.15 O ATOM 291 CB THR A 30 26.383 1.960 2.382 1.00 50.44 C ATOM 292 OG1 THR A 30 25.564 1.172 1.511 1.00 70.01 O ATOM 293 CG2 THR A 30 26.262 1.442 3.807 1.00 44.23 C ATOM 0 H THR A 30 25.014 2.888 0.517 1.00 52.50 H new ATOM 0 HA THR A 30 25.352 3.687 3.167 1.00 71.02 H new ATOM 0 HB THR A 30 27.425 1.881 2.071 1.00 50.44 H new ATOM 0 HG1 THR A 30 25.473 0.267 1.877 1.00 70.01 H new ATOM 0 HG21 THR A 30 26.562 0.395 3.840 1.00 44.23 H new ATOM 0 HG22 THR A 30 26.909 2.025 4.462 1.00 44.23 H new ATOM 0 HG23 THR A 30 25.229 1.534 4.141 1.00 44.23 H new ATOM 301 N SER A 31 28.167 3.979 1.437 1.00 42.43 N ATOM 302 CA SER A 31 29.414 4.729 1.344 1.00 4.33 C ATOM 303 C SER A 31 29.489 5.500 0.030 1.00 54.31 C ATOM 304 O SER A 31 28.577 5.434 -0.793 1.00 70.25 O ATOM 305 CB SER A 31 30.612 3.785 1.463 1.00 60.32 C ATOM 306 OG SER A 31 31.126 3.776 2.783 1.00 3.52 O ATOM 0 H SER A 31 28.096 3.196 0.787 1.00 42.43 H new ATOM 0 HA SER A 31 29.440 5.444 2.166 1.00 4.33 H new ATOM 0 HB2 SER A 31 30.313 2.776 1.179 1.00 60.32 H new ATOM 0 HB3 SER A 31 31.393 4.094 0.768 1.00 60.32 H new ATOM 0 HG SER A 31 31.890 3.164 2.833 1.00 3.52 H new ATOM 312 N ASN A 32 30.582 6.232 -0.159 1.00 11.13 N ATOM 313 CA ASN A 32 30.776 7.017 -1.372 1.00 43.14 C ATOM 314 C ASN A 32 30.952 6.109 -2.585 1.00 62.34 C ATOM 315 O ASN A 32 30.328 6.317 -3.625 1.00 73.22 O ATOM 316 CB ASN A 32 31.995 7.930 -1.224 1.00 52.52 C ATOM 317 CG ASN A 32 31.621 9.400 -1.239 1.00 50.11 C ATOM 318 OD1 ASN A 32 32.012 10.142 -2.140 1.00 53.32 O ATOM 319 ND2 ASN A 32 30.861 9.827 -0.238 1.00 15.13 N ATOM 0 H ASN A 32 31.347 6.298 0.513 1.00 11.13 H new ATOM 0 HA ASN A 32 29.887 7.630 -1.524 1.00 43.14 H new ATOM 0 HB2 ASN A 32 32.508 7.698 -0.291 1.00 52.52 H new ATOM 0 HB3 ASN A 32 32.697 7.728 -2.033 1.00 52.52 H new ATOM 0 HD21 ASN A 32 30.578 10.806 -0.194 1.00 15.13 H new ATOM 0 HD22 ASN A 32 30.560 9.176 0.487 1.00 15.13 H new ATOM 326 N ALA A 33 31.806 5.100 -2.444 1.00 4.41 N ATOM 327 CA ALA A 33 32.063 4.159 -3.526 1.00 74.44 C ATOM 328 C ALA A 33 31.205 2.906 -3.379 1.00 41.31 C ATOM 329 O ALA A 33 30.462 2.539 -4.290 1.00 33.24 O ATOM 330 CB ALA A 33 33.538 3.789 -3.566 1.00 71.31 C ATOM 0 H ALA A 33 32.332 4.914 -1.590 1.00 4.41 H new ATOM 0 HA ALA A 33 31.796 4.643 -4.466 1.00 74.44 H new ATOM 0 HB1 ALA A 33 33.715 3.085 -4.379 1.00 71.31 H new ATOM 0 HB2 ALA A 33 34.134 4.687 -3.727 1.00 71.31 H new ATOM 0 HB3 ALA A 33 33.824 3.329 -2.620 1.00 71.31 H new ATOM 336 N THR A 34 31.313 2.253 -2.226 1.00 62.33 N ATOM 337 CA THR A 34 30.549 1.040 -1.961 1.00 3.45 C ATOM 338 C THR A 34 30.735 0.579 -0.520 1.00 34.44 C ATOM 339 O THR A 34 31.805 0.748 0.063 1.00 34.43 O ATOM 340 CB THR A 34 30.959 -0.101 -2.910 1.00 73.22 C ATOM 341 OG1 THR A 34 30.379 -1.335 -2.471 1.00 65.03 O ATOM 342 CG2 THR A 34 32.473 -0.239 -2.970 1.00 15.31 C ATOM 0 H THR A 34 31.922 2.544 -1.461 1.00 62.33 H new ATOM 0 HA THR A 34 29.500 1.283 -2.130 1.00 3.45 H new ATOM 0 HB THR A 34 30.593 0.138 -3.909 1.00 73.22 H new ATOM 0 HG1 THR A 34 29.404 -1.246 -2.441 1.00 65.03 H new ATOM 0 HG21 THR A 34 32.738 -1.051 -3.647 1.00 15.31 H new ATOM 0 HG22 THR A 34 32.909 0.692 -3.332 1.00 15.31 H new ATOM 0 HG23 THR A 34 32.858 -0.456 -1.974 1.00 15.31 H new ATOM 350 N ASN A 35 29.685 -0.006 0.049 1.00 1.12 N ATOM 351 CA ASN A 35 29.733 -0.493 1.423 1.00 11.42 C ATOM 352 C ASN A 35 30.782 -1.590 1.575 1.00 10.24 C ATOM 353 O ASN A 35 30.983 -2.402 0.672 1.00 62.30 O ATOM 354 CB ASN A 35 28.361 -1.021 1.847 1.00 0.21 C ATOM 355 CG ASN A 35 28.401 -1.719 3.193 1.00 71.23 C ATOM 356 OD1 ASN A 35 27.885 -2.826 3.345 1.00 31.44 O ATOM 357 ND2 ASN A 35 29.016 -1.073 4.177 1.00 54.15 N ATOM 0 H ASN A 35 28.791 -0.154 -0.420 1.00 1.12 H new ATOM 0 HA ASN A 35 30.009 0.341 2.068 1.00 11.42 H new ATOM 0 HB2 ASN A 35 27.654 -0.193 1.891 1.00 0.21 H new ATOM 0 HB3 ASN A 35 27.992 -1.715 1.092 1.00 0.21 H new ATOM 0 HD21 ASN A 35 29.075 -1.493 5.105 1.00 54.15 H new ATOM 0 HD22 ASN A 35 29.430 -0.157 4.005 1.00 54.15 H new ATOM 364 N THR A 36 31.449 -1.608 2.725 1.00 32.34 N ATOM 365 CA THR A 36 32.477 -2.605 2.997 1.00 43.53 C ATOM 366 C THR A 36 32.170 -3.378 4.274 1.00 44.11 C ATOM 367 O THR A 36 31.508 -2.867 5.177 1.00 13.03 O ATOM 368 CB THR A 36 33.868 -1.955 3.125 1.00 63.41 C ATOM 369 OG1 THR A 36 33.855 -0.649 2.539 1.00 42.03 O ATOM 370 CG2 THR A 36 34.929 -2.810 2.447 1.00 31.04 C ATOM 0 H THR A 36 31.295 -0.943 3.483 1.00 32.34 H new ATOM 0 HA THR A 36 32.481 -3.294 2.152 1.00 43.53 H new ATOM 0 HB THR A 36 34.111 -1.874 4.185 1.00 63.41 H new ATOM 0 HG1 THR A 36 34.742 -0.242 2.626 1.00 42.03 H new ATOM 0 HG21 THR A 36 35.903 -2.331 2.550 1.00 31.04 H new ATOM 0 HG22 THR A 36 34.957 -3.794 2.915 1.00 31.04 H new ATOM 0 HG23 THR A 36 34.688 -2.918 1.389 1.00 31.04 H new ATOM 378 N CYS A 37 32.657 -4.613 4.344 1.00 54.43 N ATOM 379 CA CYS A 37 32.435 -5.458 5.511 1.00 52.51 C ATOM 380 C CYS A 37 33.689 -6.259 5.848 1.00 34.23 C ATOM 381 O CYS A 37 34.003 -7.248 5.186 1.00 63.11 O ATOM 382 CB CYS A 37 31.260 -6.407 5.264 1.00 45.43 C ATOM 383 SG CYS A 37 30.799 -7.411 6.711 1.00 30.35 S ATOM 0 H CYS A 37 33.208 -5.051 3.606 1.00 54.43 H new ATOM 0 HA CYS A 37 32.199 -4.812 6.357 1.00 52.51 H new ATOM 0 HB2 CYS A 37 30.395 -5.823 4.950 1.00 45.43 H new ATOM 0 HB3 CYS A 37 31.512 -7.073 4.439 1.00 45.43 H new ATOM 388 N PHE A 38 34.401 -5.826 6.883 1.00 14.32 N ATOM 389 CA PHE A 38 35.620 -6.502 7.309 1.00 45.11 C ATOM 390 C PHE A 38 36.559 -6.725 6.127 1.00 63.11 C ATOM 391 O PHE A 38 36.915 -7.859 5.808 1.00 3.33 O ATOM 392 CB PHE A 38 35.283 -7.841 7.967 1.00 63.41 C ATOM 393 CG PHE A 38 34.432 -7.708 9.197 1.00 55.42 C ATOM 394 CD1 PHE A 38 34.479 -6.557 9.967 1.00 44.20 C ATOM 395 CD2 PHE A 38 33.583 -8.733 9.583 1.00 3.10 C ATOM 396 CE1 PHE A 38 33.697 -6.430 11.099 1.00 33.21 C ATOM 397 CE2 PHE A 38 32.798 -8.612 10.714 1.00 51.22 C ATOM 398 CZ PHE A 38 32.856 -7.460 11.473 1.00 14.35 C ATOM 0 H PHE A 38 34.154 -5.009 7.442 1.00 14.32 H new ATOM 0 HA PHE A 38 36.124 -5.865 8.036 1.00 45.11 H new ATOM 0 HB2 PHE A 38 34.766 -8.472 7.244 1.00 63.41 H new ATOM 0 HB3 PHE A 38 36.210 -8.351 8.230 1.00 63.41 H new ATOM 0 HD1 PHE A 38 35.135 -5.749 9.679 1.00 44.20 H new ATOM 0 HD2 PHE A 38 33.534 -9.637 8.993 1.00 3.10 H new ATOM 0 HE1 PHE A 38 33.743 -5.527 11.690 1.00 33.21 H new ATOM 0 HE2 PHE A 38 32.140 -9.418 11.004 1.00 51.22 H new ATOM 0 HZ PHE A 38 32.245 -7.364 12.358 1.00 14.35 H new ATOM 408 N GLY A 39 36.956 -5.634 5.480 1.00 43.54 N ATOM 409 CA GLY A 39 37.849 -5.731 4.340 1.00 43.42 C ATOM 410 C GLY A 39 37.120 -6.092 3.061 1.00 10.10 C ATOM 411 O GLY A 39 37.220 -5.382 2.060 1.00 75.40 O ATOM 0 H GLY A 39 36.675 -4.684 5.725 1.00 43.54 H new ATOM 0 HA2 GLY A 39 38.365 -4.780 4.205 1.00 43.42 H new ATOM 0 HA3 GLY A 39 38.613 -6.482 4.543 1.00 43.42 H new ATOM 415 N SER A 40 36.386 -7.199 3.093 1.00 72.40 N ATOM 416 CA SER A 40 35.641 -7.657 1.926 1.00 41.24 C ATOM 417 C SER A 40 34.481 -6.715 1.618 1.00 42.32 C ATOM 418 O SER A 40 33.532 -6.605 2.394 1.00 74.33 O ATOM 419 CB SER A 40 35.114 -9.075 2.154 1.00 43.11 C ATOM 420 OG SER A 40 35.789 -10.009 1.329 1.00 3.30 O ATOM 0 H SER A 40 36.291 -7.796 3.915 1.00 72.40 H new ATOM 0 HA SER A 40 36.319 -7.662 1.073 1.00 41.24 H new ATOM 0 HB2 SER A 40 35.243 -9.350 3.201 1.00 43.11 H new ATOM 0 HB3 SER A 40 34.045 -9.107 1.945 1.00 43.11 H new ATOM 0 HG SER A 40 35.435 -10.908 1.495 1.00 3.30 H new ATOM 426 N LYS A 41 34.566 -6.035 0.479 1.00 34.30 N ATOM 427 CA LYS A 41 33.524 -5.102 0.065 1.00 21.51 C ATOM 428 C LYS A 41 32.260 -5.848 -0.351 1.00 41.12 C ATOM 429 O LYS A 41 32.329 -6.911 -0.969 1.00 63.13 O ATOM 430 CB LYS A 41 34.020 -4.233 -1.092 1.00 4.50 C ATOM 431 CG LYS A 41 35.377 -3.598 -0.838 1.00 31.23 C ATOM 432 CD LYS A 41 35.346 -2.099 -1.082 1.00 10.20 C ATOM 433 CE LYS A 41 35.383 -1.775 -2.568 1.00 20.33 C ATOM 434 NZ LYS A 41 36.744 -1.961 -3.142 1.00 63.11 N ATOM 0 H LYS A 41 35.346 -6.113 -0.174 1.00 34.30 H new ATOM 0 HA LYS A 41 33.284 -4.463 0.915 1.00 21.51 H new ATOM 0 HB2 LYS A 41 34.076 -4.842 -1.994 1.00 4.50 H new ATOM 0 HB3 LYS A 41 33.290 -3.446 -1.283 1.00 4.50 H new ATOM 0 HG2 LYS A 41 35.685 -3.794 0.189 1.00 31.23 H new ATOM 0 HG3 LYS A 41 36.122 -4.058 -1.487 1.00 31.23 H new ATOM 0 HD2 LYS A 41 34.445 -1.676 -0.639 1.00 10.20 H new ATOM 0 HD3 LYS A 41 36.196 -1.631 -0.585 1.00 10.20 H new ATOM 0 HE2 LYS A 41 34.675 -2.414 -3.097 1.00 20.33 H new ATOM 0 HE3 LYS A 41 35.061 -0.745 -2.723 1.00 20.33 H new ATOM 0 HZ1 LYS A 41 36.761 -1.603 -4.118 1.00 63.11 H new ATOM 0 HZ2 LYS A 41 37.437 -1.438 -2.569 1.00 63.11 H new ATOM 0 HZ3 LYS A 41 36.986 -2.972 -3.140 1.00 63.11 H new ATOM 448 N LEU A 42 31.107 -5.284 -0.010 1.00 52.34 N ATOM 449 CA LEU A 42 29.826 -5.894 -0.350 1.00 63.45 C ATOM 450 C LEU A 42 29.480 -5.652 -1.816 1.00 72.51 C ATOM 451 O LEU A 42 29.897 -4.666 -2.423 1.00 53.04 O ATOM 452 CB LEU A 42 28.719 -5.337 0.546 1.00 61.11 C ATOM 453 CG LEU A 42 28.839 -5.655 2.037 1.00 74.43 C ATOM 454 CD1 LEU A 42 29.180 -7.123 2.244 1.00 43.25 C ATOM 455 CD2 LEU A 42 29.885 -4.765 2.690 1.00 4.10 C ATOM 0 H LEU A 42 31.032 -4.405 0.502 1.00 52.34 H new ATOM 0 HA LEU A 42 29.909 -6.969 -0.188 1.00 63.45 H new ATOM 0 HB2 LEU A 42 28.693 -4.254 0.427 1.00 61.11 H new ATOM 0 HB3 LEU A 42 27.763 -5.720 0.189 1.00 61.11 H new ATOM 0 HG LEU A 42 27.877 -5.457 2.510 1.00 74.43 H new ATOM 0 HD11 LEU A 42 29.261 -7.331 3.311 1.00 43.25 H new ATOM 0 HD12 LEU A 42 28.395 -7.743 1.812 1.00 43.25 H new ATOM 0 HD13 LEU A 42 30.129 -7.348 1.757 1.00 43.25 H new ATOM 0 HD21 LEU A 42 29.956 -5.006 3.751 1.00 4.10 H new ATOM 0 HD22 LEU A 42 30.852 -4.931 2.214 1.00 4.10 H new ATOM 0 HD23 LEU A 42 29.598 -3.720 2.574 1.00 4.10 H new ATOM 467 N PRO A 43 28.697 -6.572 -2.399 1.00 32.41 N ATOM 468 CA PRO A 43 28.274 -6.480 -3.800 1.00 2.45 C ATOM 469 C PRO A 43 27.282 -5.345 -4.032 1.00 32.53 C ATOM 470 O PRO A 43 26.920 -5.048 -5.170 1.00 40.53 O ATOM 471 CB PRO A 43 27.609 -7.834 -4.060 1.00 4.41 C ATOM 472 CG PRO A 43 27.153 -8.295 -2.719 1.00 72.52 C ATOM 473 CD PRO A 43 28.163 -7.774 -1.735 1.00 41.32 C ATOM 0 HA PRO A 43 29.111 -6.267 -4.465 1.00 2.45 H new ATOM 0 HB2 PRO A 43 26.772 -7.738 -4.751 1.00 4.41 H new ATOM 0 HB3 PRO A 43 28.310 -8.541 -4.504 1.00 4.41 H new ATOM 0 HG2 PRO A 43 26.157 -7.914 -2.494 1.00 72.52 H new ATOM 0 HG3 PRO A 43 27.095 -9.383 -2.679 1.00 72.52 H new ATOM 0 HD2 PRO A 43 27.703 -7.533 -0.777 1.00 41.32 H new ATOM 0 HD3 PRO A 43 28.946 -8.506 -1.538 1.00 41.32 H new ATOM 481 N TYR A 44 26.846 -4.716 -2.946 1.00 75.14 N ATOM 482 CA TYR A 44 25.893 -3.615 -3.032 1.00 70.52 C ATOM 483 C TYR A 44 26.508 -2.321 -2.509 1.00 51.22 C ATOM 484 O TYR A 44 27.640 -2.310 -2.027 1.00 12.32 O ATOM 485 CB TYR A 44 24.626 -3.947 -2.242 1.00 20.01 C ATOM 486 CG TYR A 44 24.883 -4.781 -1.007 1.00 4.40 C ATOM 487 CD1 TYR A 44 25.213 -4.182 0.203 1.00 53.21 C ATOM 488 CD2 TYR A 44 24.798 -6.167 -1.050 1.00 45.30 C ATOM 489 CE1 TYR A 44 25.449 -4.939 1.334 1.00 64.22 C ATOM 490 CE2 TYR A 44 25.032 -6.932 0.076 1.00 1.11 C ATOM 491 CZ TYR A 44 25.357 -6.314 1.265 1.00 4.24 C ATOM 492 OH TYR A 44 25.592 -7.073 2.389 1.00 3.30 O ATOM 0 H TYR A 44 27.137 -4.949 -1.997 1.00 75.14 H new ATOM 0 HA TYR A 44 25.632 -3.474 -4.081 1.00 70.52 H new ATOM 0 HB2 TYR A 44 24.138 -3.018 -1.948 1.00 20.01 H new ATOM 0 HB3 TYR A 44 23.932 -4.480 -2.892 1.00 20.01 H new ATOM 0 HD1 TYR A 44 25.286 -3.106 0.260 1.00 53.21 H new ATOM 0 HD2 TYR A 44 24.545 -6.655 -1.980 1.00 45.30 H new ATOM 0 HE1 TYR A 44 25.704 -4.458 2.267 1.00 64.22 H new ATOM 0 HE2 TYR A 44 24.961 -8.008 0.025 1.00 1.11 H new ATOM 0 HH TYR A 44 25.101 -6.695 3.148 1.00 3.30 H new ATOM 502 N GLU A 45 25.752 -1.232 -2.609 1.00 12.14 N ATOM 503 CA GLU A 45 26.222 0.069 -2.146 1.00 21.41 C ATOM 504 C GLU A 45 25.078 0.876 -1.539 1.00 43.45 C ATOM 505 O GLU A 45 25.199 2.084 -1.331 1.00 13.43 O ATOM 506 CB GLU A 45 26.855 0.847 -3.301 1.00 53.51 C ATOM 507 CG GLU A 45 25.849 1.330 -4.333 1.00 20.02 C ATOM 508 CD GLU A 45 26.290 1.045 -5.755 1.00 43.33 C ATOM 509 OE1 GLU A 45 26.594 -0.127 -6.059 1.00 43.04 O ATOM 510 OE2 GLU A 45 26.331 1.996 -6.565 1.00 22.35 O ATOM 0 H GLU A 45 24.812 -1.225 -3.006 1.00 12.14 H new ATOM 0 HA GLU A 45 26.974 -0.097 -1.375 1.00 21.41 H new ATOM 0 HB2 GLU A 45 27.391 1.706 -2.898 1.00 53.51 H new ATOM 0 HB3 GLU A 45 27.593 0.213 -3.794 1.00 53.51 H new ATOM 0 HG2 GLU A 45 24.888 0.849 -4.151 1.00 20.02 H new ATOM 0 HG3 GLU A 45 25.696 2.402 -4.212 1.00 20.02 H new ATOM 517 N LEU A 46 23.969 0.202 -1.259 1.00 71.54 N ATOM 518 CA LEU A 46 22.802 0.855 -0.677 1.00 40.41 C ATOM 519 C LEU A 46 22.368 0.153 0.606 1.00 51.44 C ATOM 520 O LEU A 46 22.879 -0.914 0.944 1.00 33.12 O ATOM 521 CB LEU A 46 21.647 0.869 -1.680 1.00 42.42 C ATOM 522 CG LEU A 46 21.883 1.666 -2.964 1.00 12.32 C ATOM 523 CD1 LEU A 46 20.678 1.561 -3.886 1.00 64.43 C ATOM 524 CD2 LEU A 46 22.183 3.123 -2.640 1.00 32.40 C ATOM 0 H LEU A 46 23.853 -0.798 -1.426 1.00 71.54 H new ATOM 0 HA LEU A 46 23.075 1.882 -0.433 1.00 40.41 H new ATOM 0 HB2 LEU A 46 21.416 -0.161 -1.953 1.00 42.42 H new ATOM 0 HB3 LEU A 46 20.765 1.272 -1.183 1.00 42.42 H new ATOM 0 HG LEU A 46 22.746 1.243 -3.478 1.00 12.32 H new ATOM 0 HD11 LEU A 46 20.864 2.134 -4.794 1.00 64.43 H new ATOM 0 HD12 LEU A 46 20.508 0.516 -4.145 1.00 64.43 H new ATOM 0 HD13 LEU A 46 19.797 1.958 -3.381 1.00 64.43 H new ATOM 0 HD21 LEU A 46 22.348 3.675 -3.565 1.00 32.40 H new ATOM 0 HD22 LEU A 46 21.339 3.558 -2.104 1.00 32.40 H new ATOM 0 HD23 LEU A 46 23.077 3.181 -2.018 1.00 32.40 H new ATOM 536 N SER A 47 21.421 0.759 1.314 1.00 14.43 N ATOM 537 CA SER A 47 20.918 0.193 2.561 1.00 44.32 C ATOM 538 C SER A 47 19.547 0.768 2.905 1.00 64.43 C ATOM 539 O SER A 47 19.216 1.887 2.516 1.00 51.42 O ATOM 540 CB SER A 47 21.900 0.468 3.702 1.00 73.30 C ATOM 541 OG SER A 47 21.236 0.475 4.954 1.00 4.22 O ATOM 0 H SER A 47 20.986 1.642 1.046 1.00 14.43 H new ATOM 0 HA SER A 47 20.818 -0.884 2.428 1.00 44.32 H new ATOM 0 HB2 SER A 47 22.681 -0.292 3.705 1.00 73.30 H new ATOM 0 HB3 SER A 47 22.390 1.428 3.541 1.00 73.30 H new ATOM 0 HG SER A 47 21.514 1.262 5.468 1.00 4.22 H new ATOM 547 N SER A 48 18.755 -0.008 3.637 1.00 75.42 N ATOM 548 CA SER A 48 17.418 0.420 4.031 1.00 55.13 C ATOM 549 C SER A 48 17.258 0.377 5.547 1.00 2.15 C ATOM 550 O SER A 48 17.301 -0.692 6.158 1.00 12.10 O ATOM 551 CB SER A 48 16.360 -0.466 3.370 1.00 33.01 C ATOM 552 OG SER A 48 15.054 0.019 3.630 1.00 33.54 O ATOM 0 H SER A 48 19.016 -0.936 3.969 1.00 75.42 H new ATOM 0 HA SER A 48 17.280 1.449 3.698 1.00 55.13 H new ATOM 0 HB2 SER A 48 16.531 -0.501 2.294 1.00 33.01 H new ATOM 0 HB3 SER A 48 16.453 -1.487 3.741 1.00 33.01 H new ATOM 0 HG SER A 48 14.704 0.461 2.829 1.00 33.54 H new ATOM 558 N LEU A 49 17.075 1.547 6.150 1.00 73.31 N ATOM 559 CA LEU A 49 16.909 1.645 7.596 1.00 74.21 C ATOM 560 C LEU A 49 15.691 0.852 8.059 1.00 15.22 C ATOM 561 O LEU A 49 15.610 0.438 9.216 1.00 62.13 O ATOM 562 CB LEU A 49 16.768 3.109 8.015 1.00 52.33 C ATOM 563 CG LEU A 49 17.604 3.547 9.218 1.00 33.41 C ATOM 564 CD1 LEU A 49 17.103 2.877 10.488 1.00 75.40 C ATOM 565 CD2 LEU A 49 19.074 3.229 8.990 1.00 63.32 C ATOM 0 H LEU A 49 17.038 2.441 5.660 1.00 73.31 H new ATOM 0 HA LEU A 49 17.796 1.222 8.068 1.00 74.21 H new ATOM 0 HB2 LEU A 49 17.035 3.737 7.165 1.00 52.33 H new ATOM 0 HB3 LEU A 49 15.719 3.303 8.237 1.00 52.33 H new ATOM 0 HG LEU A 49 17.500 4.626 9.335 1.00 33.41 H new ATOM 0 HD11 LEU A 49 17.710 3.200 11.334 1.00 75.40 H new ATOM 0 HD12 LEU A 49 16.063 3.155 10.660 1.00 75.40 H new ATOM 0 HD13 LEU A 49 17.176 1.795 10.382 1.00 75.40 H new ATOM 0 HD21 LEU A 49 19.654 3.548 9.856 1.00 63.32 H new ATOM 0 HD22 LEU A 49 19.196 2.155 8.847 1.00 63.32 H new ATOM 0 HD23 LEU A 49 19.427 3.756 8.103 1.00 63.32 H new ATOM 577 N ASP A 50 14.746 0.643 7.149 1.00 40.33 N ATOM 578 CA ASP A 50 13.533 -0.103 7.463 1.00 40.13 C ATOM 579 C ASP A 50 13.869 -1.523 7.909 1.00 14.41 C ATOM 580 O ASP A 50 13.132 -2.131 8.686 1.00 12.15 O ATOM 581 CB ASP A 50 12.605 -0.143 6.248 1.00 54.00 C ATOM 582 CG ASP A 50 11.151 -0.331 6.636 1.00 22.21 C ATOM 583 OD1 ASP A 50 10.892 -0.986 7.668 1.00 2.40 O ATOM 584 OD2 ASP A 50 10.273 0.177 5.909 1.00 73.45 O ATOM 0 H ASP A 50 14.797 0.980 6.188 1.00 40.33 H new ATOM 0 HA ASP A 50 13.025 0.405 8.282 1.00 40.13 H new ATOM 0 HB2 ASP A 50 12.710 0.783 5.683 1.00 54.00 H new ATOM 0 HB3 ASP A 50 12.910 -0.955 5.588 1.00 54.00 H new ATOM 589 N LEU A 51 14.984 -2.045 7.412 1.00 70.41 N ATOM 590 CA LEU A 51 15.417 -3.395 7.758 1.00 3.45 C ATOM 591 C LEU A 51 15.553 -3.551 9.270 1.00 64.44 C ATOM 592 O LEU A 51 15.470 -4.660 9.800 1.00 11.32 O ATOM 593 CB LEU A 51 16.750 -3.714 7.079 1.00 1.30 C ATOM 594 CG LEU A 51 16.933 -5.156 6.604 1.00 51.52 C ATOM 595 CD1 LEU A 51 16.920 -5.222 5.085 1.00 63.55 C ATOM 596 CD2 LEU A 51 18.226 -5.739 7.154 1.00 1.34 C ATOM 0 H LEU A 51 15.605 -1.555 6.768 1.00 70.41 H new ATOM 0 HA LEU A 51 14.660 -4.095 7.405 1.00 3.45 H new ATOM 0 HB2 LEU A 51 16.865 -3.052 6.220 1.00 1.30 H new ATOM 0 HB3 LEU A 51 17.555 -3.477 7.774 1.00 1.30 H new ATOM 0 HG LEU A 51 16.101 -5.751 6.981 1.00 51.52 H new ATOM 0 HD11 LEU A 51 17.051 -6.256 4.765 1.00 63.55 H new ATOM 0 HD12 LEU A 51 15.967 -4.845 4.713 1.00 63.55 H new ATOM 0 HD13 LEU A 51 17.732 -4.613 4.687 1.00 63.55 H new ATOM 0 HD21 LEU A 51 18.339 -6.766 6.806 1.00 1.34 H new ATOM 0 HD22 LEU A 51 19.070 -5.143 6.808 1.00 1.34 H new ATOM 0 HD23 LEU A 51 18.196 -5.727 8.244 1.00 1.34 H new ATOM 608 N THR A 52 15.762 -2.434 9.959 1.00 33.01 N ATOM 609 CA THR A 52 15.908 -2.447 11.409 1.00 1.31 C ATOM 610 C THR A 52 14.795 -1.651 12.081 1.00 32.42 C ATOM 611 O THR A 52 13.897 -1.136 11.414 1.00 24.02 O ATOM 612 CB THR A 52 17.269 -1.869 11.841 1.00 21.14 C ATOM 613 OG1 THR A 52 17.630 -0.776 10.990 1.00 50.21 O ATOM 614 CG2 THR A 52 18.351 -2.937 11.790 1.00 22.10 C ATOM 0 H THR A 52 15.834 -1.509 9.536 1.00 33.01 H new ATOM 0 HA THR A 52 15.847 -3.489 11.724 1.00 1.31 H new ATOM 0 HB THR A 52 17.179 -1.514 12.868 1.00 21.14 H new ATOM 0 HG1 THR A 52 18.478 -0.977 10.541 1.00 50.21 H new ATOM 0 HG21 THR A 52 19.303 -2.506 12.099 1.00 22.10 H new ATOM 0 HG22 THR A 52 18.088 -3.754 12.462 1.00 22.10 H new ATOM 0 HG23 THR A 52 18.439 -3.318 10.772 1.00 22.10 H new ATOM 622 N ASP A 53 14.859 -1.555 13.404 1.00 0.15 N ATOM 623 CA ASP A 53 13.856 -0.820 14.167 1.00 25.11 C ATOM 624 C ASP A 53 14.456 0.442 14.779 1.00 44.13 C ATOM 625 O ASP A 53 14.300 0.701 15.972 1.00 11.21 O ATOM 626 CB ASP A 53 13.271 -1.706 15.268 1.00 62.53 C ATOM 627 CG ASP A 53 12.011 -1.120 15.874 1.00 24.52 C ATOM 628 OD1 ASP A 53 11.147 -0.647 15.106 1.00 25.14 O ATOM 629 OD2 ASP A 53 11.889 -1.136 17.117 1.00 70.13 O ATOM 0 H ASP A 53 15.595 -1.977 13.971 1.00 0.15 H new ATOM 0 HA ASP A 53 13.058 -0.528 13.484 1.00 25.11 H new ATOM 0 HB2 ASP A 53 13.049 -2.691 14.858 1.00 62.53 H new ATOM 0 HB3 ASP A 53 14.016 -1.847 16.051 1.00 62.53 H new ATOM 634 N PHE A 54 15.145 1.224 13.953 1.00 34.13 N ATOM 635 CA PHE A 54 15.770 2.458 14.413 1.00 2.31 C ATOM 636 C PHE A 54 15.083 3.676 13.802 1.00 3.45 C ATOM 637 O PHE A 54 14.039 3.558 13.160 1.00 24.50 O ATOM 638 CB PHE A 54 17.258 2.465 14.056 1.00 51.05 C ATOM 639 CG PHE A 54 18.013 1.292 14.611 1.00 23.24 C ATOM 640 CD1 PHE A 54 18.146 1.122 15.980 1.00 33.11 C ATOM 641 CD2 PHE A 54 18.590 0.359 13.765 1.00 25.33 C ATOM 642 CE1 PHE A 54 18.841 0.044 16.494 1.00 20.31 C ATOM 643 CE2 PHE A 54 19.287 -0.722 14.274 1.00 53.25 C ATOM 644 CZ PHE A 54 19.411 -0.880 15.640 1.00 41.11 C ATOM 0 H PHE A 54 15.284 1.024 12.962 1.00 34.13 H new ATOM 0 HA PHE A 54 15.663 2.508 15.497 1.00 2.31 H new ATOM 0 HB2 PHE A 54 17.363 2.474 12.971 1.00 51.05 H new ATOM 0 HB3 PHE A 54 17.708 3.385 14.428 1.00 51.05 H new ATOM 0 HD1 PHE A 54 17.701 1.840 16.653 1.00 33.11 H new ATOM 0 HD2 PHE A 54 18.495 0.477 12.696 1.00 25.33 H new ATOM 0 HE1 PHE A 54 18.938 -0.076 17.563 1.00 20.31 H new ATOM 0 HE2 PHE A 54 19.734 -1.441 13.604 1.00 53.25 H new ATOM 0 HZ PHE A 54 19.953 -1.724 16.040 1.00 41.11 H new ATOM 654 N HIS A 55 15.677 4.848 14.008 1.00 35.04 N ATOM 655 CA HIS A 55 15.123 6.089 13.479 1.00 74.04 C ATOM 656 C HIS A 55 16.185 6.878 12.720 1.00 44.01 C ATOM 657 O HIS A 55 15.987 8.047 12.387 1.00 2.14 O ATOM 658 CB HIS A 55 14.550 6.941 14.611 1.00 12.15 C ATOM 659 CG HIS A 55 13.190 6.503 15.062 1.00 23.01 C ATOM 660 ND1 HIS A 55 12.965 5.320 15.735 1.00 42.45 N ATOM 661 CD2 HIS A 55 11.981 7.098 14.935 1.00 61.32 C ATOM 662 CE1 HIS A 55 11.676 5.206 16.000 1.00 62.22 C ATOM 663 NE2 HIS A 55 11.057 6.272 15.525 1.00 32.44 N ATOM 0 H HIS A 55 16.541 4.964 14.537 1.00 35.04 H new ATOM 0 HA HIS A 55 14.321 5.833 12.786 1.00 74.04 H new ATOM 0 HB2 HIS A 55 15.233 6.909 15.460 1.00 12.15 H new ATOM 0 HB3 HIS A 55 14.498 7.979 14.283 1.00 12.15 H new ATOM 0 HD2 HIS A 55 11.781 8.046 14.458 1.00 61.32 H new ATOM 0 HE1 HIS A 55 11.208 4.382 16.517 1.00 62.22 H new ATOM 0 HE2 HIS A 55 10.055 6.452 15.587 1.00 32.44 H new ATOM 671 N THR A 56 17.315 6.231 12.449 1.00 1.43 N ATOM 672 CA THR A 56 18.410 6.873 11.732 1.00 32.30 C ATOM 673 C THR A 56 19.600 5.931 11.590 1.00 41.23 C ATOM 674 O THR A 56 19.745 4.980 12.356 1.00 30.25 O ATOM 675 CB THR A 56 18.870 8.160 12.443 1.00 74.51 C ATOM 676 OG1 THR A 56 20.190 8.512 12.013 1.00 35.54 O ATOM 677 CG2 THR A 56 18.854 7.979 13.953 1.00 34.32 C ATOM 0 H THR A 56 17.495 5.263 12.715 1.00 1.43 H new ATOM 0 HA THR A 56 18.032 7.130 10.742 1.00 32.30 H new ATOM 0 HB THR A 56 18.178 8.961 12.182 1.00 74.51 H new ATOM 0 HG1 THR A 56 20.206 9.455 11.745 1.00 35.54 H new ATOM 0 HG21 THR A 56 19.183 8.901 14.433 1.00 34.32 H new ATOM 0 HG22 THR A 56 17.842 7.740 14.280 1.00 34.32 H new ATOM 0 HG23 THR A 56 19.526 7.166 14.229 1.00 34.32 H new ATOM 685 N GLU A 57 20.450 6.204 10.604 1.00 31.43 N ATOM 686 CA GLU A 57 21.628 5.379 10.363 1.00 41.12 C ATOM 687 C GLU A 57 22.527 5.340 11.595 1.00 0.43 C ATOM 688 O GLU A 57 23.044 4.287 11.968 1.00 10.14 O ATOM 689 CB GLU A 57 22.413 5.911 9.162 1.00 0.41 C ATOM 690 CG GLU A 57 21.546 6.204 7.949 1.00 32.02 C ATOM 691 CD GLU A 57 21.564 7.669 7.559 1.00 50.12 C ATOM 692 OE1 GLU A 57 22.526 8.090 6.883 1.00 41.40 O ATOM 693 OE2 GLU A 57 20.617 8.394 7.929 1.00 42.21 O ATOM 0 H GLU A 57 20.345 6.989 9.961 1.00 31.43 H new ATOM 0 HA GLU A 57 21.292 4.365 10.148 1.00 41.12 H new ATOM 0 HB2 GLU A 57 22.934 6.823 9.454 1.00 0.41 H new ATOM 0 HB3 GLU A 57 23.175 5.183 8.886 1.00 0.41 H new ATOM 0 HG2 GLU A 57 21.891 5.604 7.107 1.00 32.02 H new ATOM 0 HG3 GLU A 57 20.520 5.900 8.158 1.00 32.02 H new ATOM 700 N LYS A 58 22.710 6.497 12.224 1.00 74.14 N ATOM 701 CA LYS A 58 23.545 6.598 13.414 1.00 31.35 C ATOM 702 C LYS A 58 23.105 5.593 14.474 1.00 32.24 C ATOM 703 O LYS A 58 23.929 5.059 15.215 1.00 21.44 O ATOM 704 CB LYS A 58 23.486 8.016 13.986 1.00 54.24 C ATOM 705 CG LYS A 58 22.166 8.345 14.662 1.00 21.23 C ATOM 706 CD LYS A 58 21.786 9.803 14.466 1.00 64.13 C ATOM 707 CE LYS A 58 21.043 10.353 15.673 1.00 5.15 C ATOM 708 NZ LYS A 58 21.827 11.409 16.373 1.00 52.01 N ATOM 0 H LYS A 58 22.290 7.378 11.928 1.00 74.14 H new ATOM 0 HA LYS A 58 24.572 6.371 13.126 1.00 31.35 H new ATOM 0 HB2 LYS A 58 24.295 8.142 14.706 1.00 54.24 H new ATOM 0 HB3 LYS A 58 23.661 8.731 13.182 1.00 54.24 H new ATOM 0 HG2 LYS A 58 21.381 7.706 14.258 1.00 21.23 H new ATOM 0 HG3 LYS A 58 22.238 8.127 15.728 1.00 21.23 H new ATOM 0 HD2 LYS A 58 22.685 10.394 14.291 1.00 64.13 H new ATOM 0 HD3 LYS A 58 21.162 9.901 13.578 1.00 64.13 H new ATOM 0 HE2 LYS A 58 20.085 10.763 15.354 1.00 5.15 H new ATOM 0 HE3 LYS A 58 20.827 9.541 16.367 1.00 5.15 H new ATOM 0 HZ1 LYS A 58 21.287 11.758 17.190 1.00 52.01 H new ATOM 0 HZ2 LYS A 58 22.731 11.011 16.700 1.00 52.01 H new ATOM 0 HZ3 LYS A 58 22.012 12.196 15.718 1.00 52.01 H new ATOM 722 N GLU A 59 21.801 5.340 14.539 1.00 43.02 N ATOM 723 CA GLU A 59 21.254 4.398 15.508 1.00 15.41 C ATOM 724 C GLU A 59 21.681 2.970 15.181 1.00 52.41 C ATOM 725 O GLU A 59 21.985 2.181 16.076 1.00 63.32 O ATOM 726 CB GLU A 59 19.726 4.492 15.536 1.00 25.33 C ATOM 727 CG GLU A 59 19.188 5.313 16.696 1.00 22.40 C ATOM 728 CD GLU A 59 17.906 4.741 17.270 1.00 41.22 C ATOM 729 OE1 GLU A 59 17.991 3.819 18.108 1.00 3.21 O ATOM 730 OE2 GLU A 59 16.818 5.215 16.881 1.00 44.12 O ATOM 0 H GLU A 59 21.105 5.774 13.933 1.00 43.02 H new ATOM 0 HA GLU A 59 21.646 4.659 16.491 1.00 15.41 H new ATOM 0 HB2 GLU A 59 19.380 4.931 14.600 1.00 25.33 H new ATOM 0 HB3 GLU A 59 19.309 3.486 15.590 1.00 25.33 H new ATOM 0 HG2 GLU A 59 19.942 5.364 17.481 1.00 22.40 H new ATOM 0 HG3 GLU A 59 19.008 6.334 16.361 1.00 22.40 H new ATOM 737 N LEU A 60 21.700 2.646 13.893 1.00 64.31 N ATOM 738 CA LEU A 60 22.090 1.313 13.446 1.00 73.23 C ATOM 739 C LEU A 60 23.565 1.052 13.731 1.00 22.13 C ATOM 740 O LEU A 60 23.930 -0.001 14.253 1.00 13.20 O ATOM 741 CB LEU A 60 21.812 1.154 11.950 1.00 62.11 C ATOM 742 CG LEU A 60 21.561 -0.273 11.462 1.00 74.12 C ATOM 743 CD1 LEU A 60 21.077 -0.267 10.020 1.00 45.33 C ATOM 744 CD2 LEU A 60 22.821 -1.114 11.600 1.00 22.21 C ATOM 0 H LEU A 60 21.450 3.287 13.140 1.00 64.31 H new ATOM 0 HA LEU A 60 21.498 0.584 13.999 1.00 73.23 H new ATOM 0 HB2 LEU A 60 20.944 1.762 11.696 1.00 62.11 H new ATOM 0 HB3 LEU A 60 22.659 1.562 11.398 1.00 62.11 H new ATOM 0 HG LEU A 60 20.783 -0.717 12.083 1.00 74.12 H new ATOM 0 HD11 LEU A 60 20.904 -1.291 9.690 1.00 45.33 H new ATOM 0 HD12 LEU A 60 20.148 0.299 9.950 1.00 45.33 H new ATOM 0 HD13 LEU A 60 21.832 0.196 9.385 1.00 45.33 H new ATOM 0 HD21 LEU A 60 22.623 -2.126 11.248 1.00 22.21 H new ATOM 0 HD22 LEU A 60 23.620 -0.672 11.005 1.00 22.21 H new ATOM 0 HD23 LEU A 60 23.124 -1.147 12.647 1.00 22.21 H new ATOM 756 N ASN A 61 24.409 2.019 13.387 1.00 2.34 N ATOM 757 CA ASN A 61 25.845 1.895 13.608 1.00 24.14 C ATOM 758 C ASN A 61 26.177 1.987 15.095 1.00 41.13 C ATOM 759 O ASN A 61 27.163 1.413 15.558 1.00 35.22 O ATOM 760 CB ASN A 61 26.597 2.982 12.838 1.00 1.43 C ATOM 761 CG ASN A 61 27.943 2.505 12.329 1.00 24.21 C ATOM 762 OD1 ASN A 61 28.960 3.177 12.505 1.00 71.33 O ATOM 763 ND2 ASN A 61 27.956 1.339 11.694 1.00 33.41 N ATOM 0 H ASN A 61 24.123 2.897 12.954 1.00 2.34 H new ATOM 0 HA ASN A 61 26.160 0.917 13.243 1.00 24.14 H new ATOM 0 HB2 ASN A 61 25.990 3.313 11.995 1.00 1.43 H new ATOM 0 HB3 ASN A 61 26.742 3.847 13.485 1.00 1.43 H new ATOM 0 HD21 ASN A 61 28.833 0.967 11.329 1.00 33.41 H new ATOM 0 HD22 ASN A 61 27.089 0.816 11.571 1.00 33.41 H new ATOM 770 N ASP A 62 25.347 2.713 15.836 1.00 24.43 N ATOM 771 CA ASP A 62 25.551 2.879 17.271 1.00 51.02 C ATOM 772 C ASP A 62 25.178 1.606 18.024 1.00 63.22 C ATOM 773 O ASP A 62 25.809 1.254 19.021 1.00 14.23 O ATOM 774 CB ASP A 62 24.724 4.055 17.792 1.00 54.22 C ATOM 775 CG ASP A 62 24.818 4.207 19.297 1.00 12.52 C ATOM 776 OD1 ASP A 62 25.939 4.427 19.803 1.00 53.13 O ATOM 777 OD2 ASP A 62 23.771 4.108 19.970 1.00 74.01 O ATOM 0 H ASP A 62 24.527 3.196 15.468 1.00 24.43 H new ATOM 0 HA ASP A 62 26.608 3.084 17.441 1.00 51.02 H new ATOM 0 HB2 ASP A 62 25.064 4.974 17.315 1.00 54.22 H new ATOM 0 HB3 ASP A 62 23.681 3.916 17.508 1.00 54.22 H new ATOM 782 N LYS A 63 24.149 0.918 17.540 1.00 0.44 N ATOM 783 CA LYS A 63 23.691 -0.316 18.167 1.00 62.25 C ATOM 784 C LYS A 63 24.763 -1.398 18.084 1.00 61.33 C ATOM 785 O LYS A 63 24.852 -2.266 18.954 1.00 44.14 O ATOM 786 CB LYS A 63 22.405 -0.805 17.497 1.00 71.31 C ATOM 787 CG LYS A 63 21.939 -2.163 17.994 1.00 52.23 C ATOM 788 CD LYS A 63 21.919 -3.190 16.874 1.00 53.31 C ATOM 789 CE LYS A 63 23.263 -3.888 16.734 1.00 53.24 C ATOM 790 NZ LYS A 63 23.651 -4.599 17.983 1.00 63.00 N ATOM 0 H LYS A 63 23.616 1.194 16.715 1.00 0.44 H new ATOM 0 HA LYS A 63 23.490 -0.108 19.218 1.00 62.25 H new ATOM 0 HB2 LYS A 63 21.615 -0.074 17.669 1.00 71.31 H new ATOM 0 HB3 LYS A 63 22.563 -0.856 16.420 1.00 71.31 H new ATOM 0 HG2 LYS A 63 22.599 -2.506 18.791 1.00 52.23 H new ATOM 0 HG3 LYS A 63 20.941 -2.072 18.423 1.00 52.23 H new ATOM 0 HD2 LYS A 63 21.143 -3.929 17.071 1.00 53.31 H new ATOM 0 HD3 LYS A 63 21.662 -2.700 15.935 1.00 53.31 H new ATOM 0 HE2 LYS A 63 23.218 -4.600 15.910 1.00 53.24 H new ATOM 0 HE3 LYS A 63 24.029 -3.155 16.481 1.00 53.24 H new ATOM 0 HZ1 LYS A 63 24.532 -4.190 18.356 1.00 63.00 H new ATOM 0 HZ2 LYS A 63 22.895 -4.496 18.690 1.00 63.00 H new ATOM 0 HZ3 LYS A 63 23.798 -5.608 17.777 1.00 63.00 H new ATOM 804 N LEU A 64 25.575 -1.341 17.034 1.00 3.21 N ATOM 805 CA LEU A 64 26.643 -2.315 16.839 1.00 61.43 C ATOM 806 C LEU A 64 27.490 -2.455 18.100 1.00 60.45 C ATOM 807 O LEU A 64 27.905 -3.555 18.461 1.00 21.52 O ATOM 808 CB LEU A 64 27.527 -1.904 15.660 1.00 12.40 C ATOM 809 CG LEU A 64 27.270 -2.633 14.341 1.00 33.42 C ATOM 810 CD1 LEU A 64 26.579 -1.712 13.347 1.00 24.42 C ATOM 811 CD2 LEU A 64 28.573 -3.164 13.763 1.00 62.53 C ATOM 0 H LEU A 64 25.514 -0.631 16.305 1.00 3.21 H new ATOM 0 HA LEU A 64 26.185 -3.280 16.622 1.00 61.43 H new ATOM 0 HB2 LEU A 64 27.399 -0.835 15.492 1.00 12.40 H new ATOM 0 HB3 LEU A 64 28.568 -2.060 15.941 1.00 12.40 H new ATOM 0 HG LEU A 64 26.612 -3.479 14.538 1.00 33.42 H new ATOM 0 HD11 LEU A 64 26.404 -2.249 12.414 1.00 24.42 H new ATOM 0 HD12 LEU A 64 25.626 -1.381 13.759 1.00 24.42 H new ATOM 0 HD13 LEU A 64 27.211 -0.845 13.154 1.00 24.42 H new ATOM 0 HD21 LEU A 64 28.371 -3.680 12.824 1.00 62.53 H new ATOM 0 HD22 LEU A 64 29.255 -2.334 13.581 1.00 62.53 H new ATOM 0 HD23 LEU A 64 29.027 -3.859 14.469 1.00 62.53 H new ATOM 823 N ASN A 65 27.741 -1.333 18.766 1.00 54.24 N ATOM 824 CA ASN A 65 28.537 -1.331 19.987 1.00 13.55 C ATOM 825 C ASN A 65 27.976 -2.320 21.004 1.00 33.21 C ATOM 826 O ASN A 65 28.725 -2.952 21.749 1.00 32.22 O ATOM 827 CB ASN A 65 28.575 0.074 20.594 1.00 73.24 C ATOM 828 CG ASN A 65 29.322 1.061 19.718 1.00 54.41 C ATOM 829 OD1 ASN A 65 30.545 1.172 19.793 1.00 44.51 O ATOM 830 ND2 ASN A 65 28.586 1.785 18.882 1.00 71.32 N ATOM 0 H ASN A 65 27.404 -0.413 18.480 1.00 54.24 H new ATOM 0 HA ASN A 65 29.551 -1.637 19.730 1.00 13.55 H new ATOM 0 HB2 ASN A 65 27.556 0.428 20.748 1.00 73.24 H new ATOM 0 HB3 ASN A 65 29.049 0.031 21.574 1.00 73.24 H new ATOM 0 HD21 ASN A 65 29.033 2.466 18.268 1.00 71.32 H new ATOM 0 HD22 ASN A 65 27.574 1.659 18.854 1.00 71.32 H new ATOM 837 N ASP A 66 26.654 -2.450 21.028 1.00 12.40 N ATOM 838 CA ASP A 66 25.992 -3.364 21.952 1.00 53.44 C ATOM 839 C ASP A 66 26.434 -4.802 21.703 1.00 74.32 C ATOM 840 O ASP A 66 26.869 -5.496 22.622 1.00 71.41 O ATOM 841 CB ASP A 66 24.473 -3.252 21.812 1.00 73.13 C ATOM 842 CG ASP A 66 23.785 -3.016 23.142 1.00 54.12 C ATOM 843 OD1 ASP A 66 23.455 -4.009 23.823 1.00 14.22 O ATOM 844 OD2 ASP A 66 23.575 -1.838 23.501 1.00 62.00 O ATOM 0 H ASP A 66 26.020 -1.934 20.418 1.00 12.40 H new ATOM 0 HA ASP A 66 26.277 -3.086 22.967 1.00 53.44 H new ATOM 0 HB2 ASP A 66 24.233 -2.435 21.132 1.00 73.13 H new ATOM 0 HB3 ASP A 66 24.084 -4.166 21.362 1.00 73.13 H new ATOM 849 N TYR A 67 26.318 -5.244 20.455 1.00 12.24 N ATOM 850 CA TYR A 67 26.702 -6.601 20.086 1.00 20.13 C ATOM 851 C TYR A 67 28.214 -6.784 20.182 1.00 74.44 C ATOM 852 O TYR A 67 28.702 -7.882 20.452 1.00 15.02 O ATOM 853 CB TYR A 67 26.227 -6.920 18.668 1.00 72.21 C ATOM 854 CG TYR A 67 27.349 -7.006 17.658 1.00 0.32 C ATOM 855 CD1 TYR A 67 28.094 -8.170 17.514 1.00 12.34 C ATOM 856 CD2 TYR A 67 27.664 -5.922 16.847 1.00 32.21 C ATOM 857 CE1 TYR A 67 29.120 -8.252 16.594 1.00 43.33 C ATOM 858 CE2 TYR A 67 28.688 -5.996 15.923 1.00 52.34 C ATOM 859 CZ TYR A 67 29.413 -7.162 15.800 1.00 24.31 C ATOM 860 OH TYR A 67 30.434 -7.241 14.881 1.00 43.53 O ATOM 0 H TYR A 67 25.961 -4.682 19.682 1.00 12.24 H new ATOM 0 HA TYR A 67 26.226 -7.289 20.784 1.00 20.13 H new ATOM 0 HB2 TYR A 67 25.686 -7.866 18.679 1.00 72.21 H new ATOM 0 HB3 TYR A 67 25.521 -6.153 18.349 1.00 72.21 H new ATOM 0 HD1 TYR A 67 27.866 -9.026 18.133 1.00 12.34 H new ATOM 0 HD2 TYR A 67 27.099 -5.007 16.941 1.00 32.21 H new ATOM 0 HE1 TYR A 67 29.690 -9.164 16.496 1.00 43.33 H new ATOM 0 HE2 TYR A 67 28.919 -5.145 15.300 1.00 52.34 H new ATOM 0 HH TYR A 67 31.119 -7.861 15.206 1.00 43.53 H new ATOM 870 N TYR A 68 28.949 -5.701 19.958 1.00 63.31 N ATOM 871 CA TYR A 68 30.406 -5.741 20.016 1.00 33.13 C ATOM 872 C TYR A 68 30.881 -6.425 21.294 1.00 21.34 C ATOM 873 O TYR A 68 31.862 -7.168 21.286 1.00 5.42 O ATOM 874 CB TYR A 68 30.979 -4.325 19.939 1.00 70.21 C ATOM 875 CG TYR A 68 31.707 -4.037 18.646 1.00 41.54 C ATOM 876 CD1 TYR A 68 31.007 -3.791 17.471 1.00 60.31 C ATOM 877 CD2 TYR A 68 33.096 -4.008 18.599 1.00 74.12 C ATOM 878 CE1 TYR A 68 31.668 -3.528 16.287 1.00 43.00 C ATOM 879 CE2 TYR A 68 33.765 -3.744 17.420 1.00 62.24 C ATOM 880 CZ TYR A 68 33.047 -3.505 16.266 1.00 22.34 C ATOM 881 OH TYR A 68 33.710 -3.242 15.089 1.00 14.14 O ATOM 0 H TYR A 68 28.561 -4.785 19.735 1.00 63.31 H new ATOM 0 HA TYR A 68 30.763 -6.317 19.162 1.00 33.13 H new ATOM 0 HB2 TYR A 68 30.168 -3.607 20.057 1.00 70.21 H new ATOM 0 HB3 TYR A 68 31.664 -4.173 20.773 1.00 70.21 H new ATOM 0 HD1 TYR A 68 29.927 -3.806 17.484 1.00 60.31 H new ATOM 0 HD2 TYR A 68 33.662 -4.195 19.500 1.00 74.12 H new ATOM 0 HE1 TYR A 68 31.108 -3.341 15.383 1.00 43.00 H new ATOM 0 HE2 TYR A 68 34.845 -3.725 17.401 1.00 62.24 H new ATOM 0 HH TYR A 68 34.677 -3.262 15.247 1.00 14.14 H new ATOM 891 N ALA A 69 30.177 -6.169 22.392 1.00 74.41 N ATOM 892 CA ALA A 69 30.523 -6.762 23.678 1.00 45.33 C ATOM 893 C ALA A 69 30.616 -8.280 23.576 1.00 71.34 C ATOM 894 O ALA A 69 31.397 -8.914 24.287 1.00 71.35 O ATOM 895 CB ALA A 69 29.504 -6.363 24.735 1.00 43.13 C ATOM 0 H ALA A 69 29.363 -5.555 22.416 1.00 74.41 H new ATOM 0 HA ALA A 69 31.502 -6.384 23.972 1.00 45.33 H new ATOM 0 HB1 ALA A 69 29.775 -6.813 25.690 1.00 43.13 H new ATOM 0 HB2 ALA A 69 29.491 -5.278 24.836 1.00 43.13 H new ATOM 0 HB3 ALA A 69 28.515 -6.712 24.437 1.00 43.13 H new ATOM 901 N LEU A 70 29.814 -8.859 22.688 1.00 2.33 N ATOM 902 CA LEU A 70 29.805 -10.304 22.493 1.00 20.45 C ATOM 903 C LEU A 70 31.161 -10.796 21.998 1.00 43.32 C ATOM 904 O LEU A 70 31.452 -11.992 22.034 1.00 1.52 O ATOM 905 CB LEU A 70 28.712 -10.698 21.498 1.00 44.22 C ATOM 906 CG LEU A 70 28.491 -12.198 21.302 1.00 63.11 C ATOM 907 CD1 LEU A 70 27.013 -12.538 21.404 1.00 15.45 C ATOM 908 CD2 LEU A 70 29.052 -12.649 19.961 1.00 23.11 C ATOM 0 H LEU A 70 29.162 -8.349 22.092 1.00 2.33 H new ATOM 0 HA LEU A 70 29.598 -10.774 23.455 1.00 20.45 H new ATOM 0 HB2 LEU A 70 27.773 -10.253 21.826 1.00 44.22 H new ATOM 0 HB3 LEU A 70 28.953 -10.257 20.531 1.00 44.22 H new ATOM 0 HG LEU A 70 29.020 -12.730 22.093 1.00 63.11 H new ATOM 0 HD11 LEU A 70 26.876 -13.610 21.262 1.00 15.45 H new ATOM 0 HD12 LEU A 70 26.641 -12.252 22.388 1.00 15.45 H new ATOM 0 HD13 LEU A 70 26.461 -11.996 20.636 1.00 15.45 H new ATOM 0 HD21 LEU A 70 28.886 -13.719 19.838 1.00 23.11 H new ATOM 0 HD22 LEU A 70 28.551 -12.110 19.157 1.00 23.11 H new ATOM 0 HD23 LEU A 70 30.121 -12.442 19.926 1.00 23.11 H new ATOM 920 N LYS A 71 31.989 -9.865 21.536 1.00 4.34 N ATOM 921 CA LYS A 71 33.317 -10.201 21.036 1.00 2.14 C ATOM 922 C LYS A 71 34.055 -11.106 22.018 1.00 70.24 C ATOM 923 O LYS A 71 34.857 -11.950 21.616 1.00 22.15 O ATOM 924 CB LYS A 71 34.130 -8.928 20.791 1.00 12.51 C ATOM 925 CG LYS A 71 34.507 -8.192 22.065 1.00 3.02 C ATOM 926 CD LYS A 71 35.464 -7.045 21.784 1.00 14.05 C ATOM 927 CE LYS A 71 34.891 -6.080 20.758 1.00 75.12 C ATOM 928 NZ LYS A 71 35.631 -6.140 19.467 1.00 54.21 N ATOM 0 H LYS A 71 31.763 -8.871 21.497 1.00 4.34 H new ATOM 0 HA LYS A 71 33.198 -10.736 20.094 1.00 2.14 H new ATOM 0 HB2 LYS A 71 35.039 -9.187 20.248 1.00 12.51 H new ATOM 0 HB3 LYS A 71 33.556 -8.258 20.151 1.00 12.51 H new ATOM 0 HG2 LYS A 71 33.607 -7.807 22.544 1.00 3.02 H new ATOM 0 HG3 LYS A 71 34.968 -8.888 22.766 1.00 3.02 H new ATOM 0 HD2 LYS A 71 35.675 -6.510 22.710 1.00 14.05 H new ATOM 0 HD3 LYS A 71 36.413 -7.442 21.422 1.00 14.05 H new ATOM 0 HE2 LYS A 71 33.841 -6.314 20.586 1.00 75.12 H new ATOM 0 HE3 LYS A 71 34.930 -5.065 21.153 1.00 75.12 H new ATOM 0 HZ1 LYS A 71 35.169 -5.518 18.773 1.00 54.21 H new ATOM 0 HZ2 LYS A 71 36.612 -5.826 19.614 1.00 54.21 H new ATOM 0 HZ3 LYS A 71 35.630 -7.117 19.111 1.00 54.21 H new ATOM 942 N HIS A 72 33.777 -10.927 23.305 1.00 5.51 N ATOM 943 CA HIS A 72 34.414 -11.729 24.344 1.00 73.24 C ATOM 944 C HIS A 72 34.296 -13.217 24.029 1.00 74.42 C ATOM 945 O HIS A 72 35.169 -14.009 24.383 1.00 5.34 O ATOM 946 CB HIS A 72 33.784 -11.432 25.705 1.00 72.42 C ATOM 947 CG HIS A 72 34.702 -10.715 26.646 1.00 53.41 C ATOM 948 ND1 HIS A 72 35.290 -11.324 27.734 1.00 43.40 N ATOM 949 CD2 HIS A 72 35.133 -9.432 26.656 1.00 54.41 C ATOM 950 CE1 HIS A 72 36.042 -10.446 28.374 1.00 43.24 C ATOM 951 NE2 HIS A 72 35.964 -9.290 27.739 1.00 2.24 N ATOM 0 H HIS A 72 33.115 -10.234 23.654 1.00 5.51 H new ATOM 0 HA HIS A 72 35.471 -11.465 24.376 1.00 73.24 H new ATOM 0 HB2 HIS A 72 32.887 -10.831 25.557 1.00 72.42 H new ATOM 0 HB3 HIS A 72 33.468 -12.370 26.162 1.00 72.42 H new ATOM 0 HD2 HIS A 72 34.872 -8.663 25.944 1.00 54.41 H new ATOM 0 HE1 HIS A 72 36.622 -10.640 29.264 1.00 43.24 H new ATOM 0 HE2 HIS A 72 36.444 -8.431 28.010 1.00 2.24 H new ATOM 959 N VAL A 73 33.209 -13.592 23.361 1.00 13.23 N ATOM 960 CA VAL A 73 32.976 -14.985 22.998 1.00 4.44 C ATOM 961 C VAL A 73 33.154 -15.199 21.500 1.00 64.14 C ATOM 962 O VAL A 73 32.329 -14.784 20.686 1.00 63.15 O ATOM 963 CB VAL A 73 31.564 -15.443 23.407 1.00 11.03 C ATOM 964 CG1 VAL A 73 31.318 -16.877 22.964 1.00 65.21 C ATOM 965 CG2 VAL A 73 31.372 -15.300 24.910 1.00 71.34 C ATOM 0 H VAL A 73 32.476 -12.950 23.060 1.00 13.23 H new ATOM 0 HA VAL A 73 33.713 -15.580 23.537 1.00 4.44 H new ATOM 0 HB VAL A 73 30.835 -14.804 22.908 1.00 11.03 H new ATOM 0 HG11 VAL A 73 30.315 -17.183 23.262 1.00 65.21 H new ATOM 0 HG12 VAL A 73 31.411 -16.944 21.880 1.00 65.21 H new ATOM 0 HG13 VAL A 73 32.052 -17.533 23.432 1.00 65.21 H new ATOM 0 HG21 VAL A 73 30.369 -15.628 25.181 1.00 71.34 H new ATOM 0 HG22 VAL A 73 32.108 -15.913 25.431 1.00 71.34 H new ATOM 0 HG23 VAL A 73 31.502 -14.256 25.196 1.00 71.34 H new ATOM 975 N PRO A 74 34.257 -15.864 21.124 1.00 43.30 N ATOM 976 CA PRO A 74 34.570 -16.150 19.721 1.00 54.24 C ATOM 977 C PRO A 74 33.623 -17.181 19.115 1.00 44.33 C ATOM 978 O PRO A 74 33.413 -17.208 17.902 1.00 74.31 O ATOM 979 CB PRO A 74 35.996 -16.703 19.780 1.00 13.12 C ATOM 980 CG PRO A 74 36.128 -17.262 21.155 1.00 41.22 C ATOM 981 CD PRO A 74 35.284 -16.387 22.040 1.00 21.44 C ATOM 0 HA PRO A 74 34.468 -15.265 19.092 1.00 54.24 H new ATOM 0 HB2 PRO A 74 36.154 -17.471 19.023 1.00 13.12 H new ATOM 0 HB3 PRO A 74 36.732 -15.920 19.598 1.00 13.12 H new ATOM 0 HG2 PRO A 74 35.787 -18.297 21.190 1.00 41.22 H new ATOM 0 HG3 PRO A 74 37.168 -17.258 21.480 1.00 41.22 H new ATOM 0 HD2 PRO A 74 34.841 -16.953 22.859 1.00 21.44 H new ATOM 0 HD3 PRO A 74 35.870 -15.584 22.487 1.00 21.44 H new ATOM 989 N LYS A 75 33.055 -18.027 19.966 1.00 33.41 N ATOM 990 CA LYS A 75 32.129 -19.060 19.516 1.00 52.13 C ATOM 991 C LYS A 75 30.930 -18.442 18.803 1.00 62.24 C ATOM 992 O LYS A 75 30.562 -18.864 17.706 1.00 20.40 O ATOM 993 CB LYS A 75 31.652 -19.900 20.703 1.00 2.40 C ATOM 994 CG LYS A 75 32.762 -20.692 21.372 1.00 10.22 C ATOM 995 CD LYS A 75 33.106 -21.945 20.584 1.00 11.34 C ATOM 996 CE LYS A 75 34.448 -21.810 19.881 1.00 32.10 C ATOM 997 NZ LYS A 75 34.881 -23.093 19.262 1.00 31.42 N ATOM 0 H LYS A 75 33.219 -18.018 20.973 1.00 33.41 H new ATOM 0 HA LYS A 75 32.657 -19.704 18.812 1.00 52.13 H new ATOM 0 HB2 LYS A 75 31.191 -19.243 21.440 1.00 2.40 H new ATOM 0 HB3 LYS A 75 30.879 -20.589 20.362 1.00 2.40 H new ATOM 0 HG2 LYS A 75 33.649 -20.066 21.468 1.00 10.22 H new ATOM 0 HG3 LYS A 75 32.456 -20.968 22.381 1.00 10.22 H new ATOM 0 HD2 LYS A 75 33.130 -22.803 21.256 1.00 11.34 H new ATOM 0 HD3 LYS A 75 32.326 -22.139 19.848 1.00 11.34 H new ATOM 0 HE2 LYS A 75 34.379 -21.041 19.112 1.00 32.10 H new ATOM 0 HE3 LYS A 75 35.201 -21.479 20.596 1.00 32.10 H new ATOM 0 HZ1 LYS A 75 35.800 -22.960 18.793 1.00 31.42 H new ATOM 0 HZ2 LYS A 75 34.971 -23.821 19.999 1.00 31.42 H new ATOM 0 HZ3 LYS A 75 34.175 -23.396 18.561 1.00 31.42 H new ATOM 1011 N CYS A 76 30.326 -17.440 19.431 1.00 13.41 N ATOM 1012 CA CYS A 76 29.169 -16.763 18.857 1.00 43.42 C ATOM 1013 C CYS A 76 29.605 -15.595 17.976 1.00 74.01 C ATOM 1014 O CYS A 76 28.970 -15.298 16.964 1.00 43.14 O ATOM 1015 CB CYS A 76 28.243 -16.261 19.966 1.00 33.12 C ATOM 1016 SG CYS A 76 26.487 -16.672 19.711 1.00 74.43 S ATOM 0 H CYS A 76 30.618 -17.078 20.339 1.00 13.41 H new ATOM 0 HA CYS A 76 28.629 -17.480 18.239 1.00 43.42 H new ATOM 0 HB2 CYS A 76 28.570 -16.683 20.916 1.00 33.12 H new ATOM 0 HB3 CYS A 76 28.344 -15.179 20.047 1.00 33.12 H new ATOM 1021 N TRP A 77 30.690 -14.938 18.369 1.00 52.15 N ATOM 1022 CA TRP A 77 31.210 -13.803 17.615 1.00 44.13 C ATOM 1023 C TRP A 77 31.457 -14.183 16.159 1.00 74.31 C ATOM 1024 O TRP A 77 30.927 -13.552 15.245 1.00 71.01 O ATOM 1025 CB TRP A 77 32.506 -13.295 18.248 1.00 5.13 C ATOM 1026 CG TRP A 77 33.383 -12.547 17.290 1.00 60.34 C ATOM 1027 CD1 TRP A 77 34.730 -12.700 17.120 1.00 35.03 C ATOM 1028 CD2 TRP A 77 32.974 -11.529 16.370 1.00 0.21 C ATOM 1029 NE1 TRP A 77 35.182 -11.838 16.151 1.00 43.21 N ATOM 1030 CE2 TRP A 77 34.125 -11.109 15.675 1.00 72.04 C ATOM 1031 CE3 TRP A 77 31.748 -10.932 16.065 1.00 32.22 C ATOM 1032 CZ2 TRP A 77 34.083 -10.120 14.695 1.00 30.04 C ATOM 1033 CZ3 TRP A 77 31.708 -9.951 15.093 1.00 10.54 C ATOM 1034 CH2 TRP A 77 32.869 -9.553 14.417 1.00 1.13 C ATOM 0 H TRP A 77 31.226 -15.171 19.205 1.00 52.15 H new ATOM 0 HA TRP A 77 30.464 -13.009 17.642 1.00 44.13 H new ATOM 0 HB2 TRP A 77 32.261 -12.645 19.088 1.00 5.13 H new ATOM 0 HB3 TRP A 77 33.061 -14.142 18.652 1.00 5.13 H new ATOM 0 HD1 TRP A 77 35.348 -13.396 17.667 1.00 35.03 H new ATOM 0 HE1 TRP A 77 36.149 -11.754 15.837 1.00 43.21 H new ATOM 0 HE3 TRP A 77 30.847 -11.232 16.580 1.00 32.22 H new ATOM 0 HZ2 TRP A 77 34.977 -9.812 14.173 1.00 30.04 H new ATOM 0 HZ3 TRP A 77 30.766 -9.483 14.850 1.00 10.54 H new ATOM 0 HH2 TRP A 77 32.804 -8.784 13.662 1.00 1.13 H new ATOM 1045 N ALA A 78 32.263 -15.219 15.951 1.00 42.35 N ATOM 1046 CA ALA A 78 32.577 -15.684 14.605 1.00 2.13 C ATOM 1047 C ALA A 78 31.326 -16.182 13.890 1.00 14.54 C ATOM 1048 O ALA A 78 31.329 -16.376 12.675 1.00 25.43 O ATOM 1049 CB ALA A 78 33.629 -16.782 14.659 1.00 72.33 C ATOM 0 H ALA A 78 32.710 -15.752 16.697 1.00 42.35 H new ATOM 0 HA ALA A 78 32.975 -14.841 14.040 1.00 2.13 H new ATOM 0 HB1 ALA A 78 33.854 -17.120 13.648 1.00 72.33 H new ATOM 0 HB2 ALA A 78 34.536 -16.394 15.122 1.00 72.33 H new ATOM 0 HB3 ALA A 78 33.251 -17.619 15.246 1.00 72.33 H new ATOM 1055 N ALA A 79 30.256 -16.386 14.653 1.00 42.14 N ATOM 1056 CA ALA A 79 28.997 -16.860 14.091 1.00 2.31 C ATOM 1057 C ALA A 79 28.275 -15.744 13.343 1.00 3.02 C ATOM 1058 O ALA A 79 27.549 -15.998 12.382 1.00 51.42 O ATOM 1059 CB ALA A 79 28.108 -17.422 15.190 1.00 70.50 C ATOM 0 H ALA A 79 30.236 -16.230 15.661 1.00 42.14 H new ATOM 0 HA ALA A 79 29.221 -17.653 13.378 1.00 2.31 H new ATOM 0 HB1 ALA A 79 27.171 -17.772 14.757 1.00 70.50 H new ATOM 0 HB2 ALA A 79 28.615 -18.254 15.679 1.00 70.50 H new ATOM 0 HB3 ALA A 79 27.900 -16.643 15.923 1.00 70.50 H new ATOM 1065 N ILE A 80 28.479 -14.510 13.791 1.00 42.32 N ATOM 1066 CA ILE A 80 27.848 -13.356 13.163 1.00 54.21 C ATOM 1067 C ILE A 80 28.827 -12.619 12.256 1.00 2.42 C ATOM 1068 O ILE A 80 28.560 -11.501 11.817 1.00 13.51 O ATOM 1069 CB ILE A 80 27.299 -12.373 14.214 1.00 1.11 C ATOM 1070 CG1 ILE A 80 26.240 -11.463 13.589 1.00 12.33 C ATOM 1071 CG2 ILE A 80 28.430 -11.548 14.809 1.00 44.54 C ATOM 1072 CD1 ILE A 80 25.840 -10.304 14.476 1.00 51.15 C ATOM 0 H ILE A 80 29.076 -14.284 14.586 1.00 42.32 H new ATOM 0 HA ILE A 80 27.019 -13.736 12.565 1.00 54.21 H new ATOM 0 HB ILE A 80 26.832 -12.945 15.016 1.00 1.11 H new ATOM 0 HG12 ILE A 80 26.619 -11.073 12.644 1.00 12.33 H new ATOM 0 HG13 ILE A 80 25.355 -12.055 13.357 1.00 12.33 H new ATOM 0 HG21 ILE A 80 28.026 -10.858 15.550 1.00 44.54 H new ATOM 0 HG22 ILE A 80 29.152 -12.211 15.286 1.00 44.54 H new ATOM 0 HG23 ILE A 80 28.923 -10.983 14.018 1.00 44.54 H new ATOM 0 HD11 ILE A 80 25.086 -9.701 13.969 1.00 51.15 H new ATOM 0 HD12 ILE A 80 25.431 -10.686 15.411 1.00 51.15 H new ATOM 0 HD13 ILE A 80 26.715 -9.689 14.687 1.00 51.15 H new ATOM 1084 N GLN A 81 29.961 -13.254 11.979 1.00 4.32 N ATOM 1085 CA GLN A 81 30.981 -12.658 11.123 1.00 14.13 C ATOM 1086 C GLN A 81 30.426 -12.379 9.730 1.00 64.20 C ATOM 1087 O GLN A 81 30.416 -11.243 9.255 1.00 20.32 O ATOM 1088 CB GLN A 81 32.197 -13.580 11.026 1.00 5.41 C ATOM 1089 CG GLN A 81 33.489 -12.934 11.501 1.00 21.03 C ATOM 1090 CD GLN A 81 34.424 -13.922 12.170 1.00 30.41 C ATOM 1091 OE1 GLN A 81 34.701 -14.995 11.632 1.00 51.44 O ATOM 1092 NE2 GLN A 81 34.916 -13.566 13.351 1.00 64.32 N ATOM 0 H GLN A 81 30.197 -14.181 12.334 1.00 4.32 H new ATOM 0 HA GLN A 81 31.287 -11.711 11.569 1.00 14.13 H new ATOM 0 HB2 GLN A 81 32.011 -14.477 11.616 1.00 5.41 H new ATOM 0 HB3 GLN A 81 32.319 -13.899 9.991 1.00 5.41 H new ATOM 0 HG2 GLN A 81 33.996 -12.478 10.651 1.00 21.03 H new ATOM 0 HG3 GLN A 81 33.254 -12.132 12.200 1.00 21.03 H new ATOM 0 HE21 GLN A 81 34.660 -12.667 13.760 1.00 64.32 H new ATOM 0 HE22 GLN A 81 35.550 -14.191 13.849 1.00 64.32 H new ATOM 1101 N PRO A 82 29.954 -13.439 9.057 1.00 25.44 N ATOM 1102 CA PRO A 82 29.390 -13.334 7.709 1.00 52.13 C ATOM 1103 C PRO A 82 28.050 -12.606 7.697 1.00 72.34 C ATOM 1104 O PRO A 82 27.696 -11.953 6.715 1.00 75.22 O ATOM 1105 CB PRO A 82 29.210 -14.794 7.284 1.00 15.45 C ATOM 1106 CG PRO A 82 29.075 -15.546 8.563 1.00 15.23 C ATOM 1107 CD PRO A 82 29.935 -14.823 9.562 1.00 43.31 C ATOM 0 HA PRO A 82 30.032 -12.759 7.042 1.00 52.13 H new ATOM 0 HB2 PRO A 82 28.327 -14.918 6.657 1.00 15.45 H new ATOM 0 HB3 PRO A 82 30.064 -15.146 6.706 1.00 15.45 H new ATOM 0 HG2 PRO A 82 28.036 -15.574 8.891 1.00 15.23 H new ATOM 0 HG3 PRO A 82 29.400 -16.580 8.444 1.00 15.23 H new ATOM 0 HD2 PRO A 82 29.517 -14.878 10.567 1.00 43.31 H new ATOM 0 HD3 PRO A 82 30.938 -15.247 9.610 1.00 43.31 H new ATOM 1115 N PHE A 83 27.309 -12.723 8.793 1.00 14.34 N ATOM 1116 CA PHE A 83 26.007 -12.076 8.908 1.00 34.04 C ATOM 1117 C PHE A 83 26.161 -10.609 9.301 1.00 74.53 C ATOM 1118 O PHE A 83 25.227 -9.817 9.166 1.00 71.42 O ATOM 1119 CB PHE A 83 25.142 -12.803 9.940 1.00 74.41 C ATOM 1120 CG PHE A 83 23.762 -12.226 10.080 1.00 42.34 C ATOM 1121 CD1 PHE A 83 23.025 -11.878 8.959 1.00 65.33 C ATOM 1122 CD2 PHE A 83 23.202 -12.031 11.332 1.00 50.43 C ATOM 1123 CE1 PHE A 83 21.756 -11.346 9.085 1.00 43.14 C ATOM 1124 CE2 PHE A 83 21.933 -11.499 11.464 1.00 50.21 C ATOM 1125 CZ PHE A 83 21.209 -11.157 10.339 1.00 71.04 C ATOM 0 H PHE A 83 27.587 -13.260 9.615 1.00 14.34 H new ATOM 0 HA PHE A 83 25.518 -12.124 7.935 1.00 34.04 H new ATOM 0 HB2 PHE A 83 25.061 -13.853 9.659 1.00 74.41 H new ATOM 0 HB3 PHE A 83 25.641 -12.770 10.909 1.00 74.41 H new ATOM 0 HD1 PHE A 83 23.447 -12.024 7.976 1.00 65.33 H new ATOM 0 HD2 PHE A 83 23.763 -12.298 12.215 1.00 50.43 H new ATOM 0 HE1 PHE A 83 21.192 -11.078 8.204 1.00 43.14 H new ATOM 0 HE2 PHE A 83 21.508 -11.351 12.446 1.00 50.21 H new ATOM 0 HZ PHE A 83 20.217 -10.742 10.440 1.00 71.04 H new ATOM 1135 N LEU A 84 27.345 -10.255 9.787 1.00 13.22 N ATOM 1136 CA LEU A 84 27.623 -8.884 10.200 1.00 14.52 C ATOM 1137 C LEU A 84 27.303 -7.901 9.078 1.00 62.43 C ATOM 1138 O LEU A 84 27.065 -6.718 9.322 1.00 35.44 O ATOM 1139 CB LEU A 84 29.088 -8.742 10.615 1.00 20.14 C ATOM 1140 CG LEU A 84 29.351 -7.931 11.885 1.00 33.40 C ATOM 1141 CD1 LEU A 84 29.045 -6.460 11.652 1.00 64.04 C ATOM 1142 CD2 LEU A 84 28.525 -8.472 13.043 1.00 20.14 C ATOM 0 H LEU A 84 28.128 -10.898 9.905 1.00 13.22 H new ATOM 0 HA LEU A 84 26.986 -8.652 11.054 1.00 14.52 H new ATOM 0 HB2 LEU A 84 29.504 -9.740 10.753 1.00 20.14 H new ATOM 0 HB3 LEU A 84 29.634 -8.279 9.793 1.00 20.14 H new ATOM 0 HG LEU A 84 30.406 -8.025 12.141 1.00 33.40 H new ATOM 0 HD11 LEU A 84 29.238 -5.899 12.566 1.00 64.04 H new ATOM 0 HD12 LEU A 84 29.679 -6.079 10.852 1.00 64.04 H new ATOM 0 HD13 LEU A 84 27.998 -6.346 11.371 1.00 64.04 H new ATOM 0 HD21 LEU A 84 28.724 -7.883 13.938 1.00 20.14 H new ATOM 0 HD22 LEU A 84 27.465 -8.408 12.795 1.00 20.14 H new ATOM 0 HD23 LEU A 84 28.793 -9.513 13.226 1.00 20.14 H new ATOM 1154 N CYS A 85 27.298 -8.400 7.846 1.00 43.10 N ATOM 1155 CA CYS A 85 27.006 -7.568 6.685 1.00 44.01 C ATOM 1156 C CYS A 85 25.544 -7.704 6.272 1.00 14.13 C ATOM 1157 O CYS A 85 24.905 -6.727 5.881 1.00 61.41 O ATOM 1158 CB CYS A 85 27.915 -7.951 5.515 1.00 23.14 C ATOM 1159 SG CYS A 85 29.512 -8.669 6.019 1.00 43.42 S ATOM 0 H CYS A 85 27.493 -9.377 7.626 1.00 43.10 H new ATOM 0 HA CYS A 85 27.193 -6.529 6.958 1.00 44.01 H new ATOM 0 HB2 CYS A 85 27.391 -8.666 4.881 1.00 23.14 H new ATOM 0 HB3 CYS A 85 28.102 -7.065 4.909 1.00 23.14 H new ATOM 1164 N ALA A 86 25.020 -8.922 6.363 1.00 13.12 N ATOM 1165 CA ALA A 86 23.632 -9.186 6.002 1.00 44.30 C ATOM 1166 C ALA A 86 22.693 -8.864 7.159 1.00 20.24 C ATOM 1167 O ALA A 86 21.491 -9.118 7.085 1.00 14.41 O ATOM 1168 CB ALA A 86 23.466 -10.635 5.571 1.00 34.55 C ATOM 0 H ALA A 86 25.536 -9.742 6.684 1.00 13.12 H new ATOM 0 HA ALA A 86 23.370 -8.538 5.166 1.00 44.30 H new ATOM 0 HB1 ALA A 86 22.425 -10.818 5.304 1.00 34.55 H new ATOM 0 HB2 ALA A 86 24.102 -10.833 4.708 1.00 34.55 H new ATOM 0 HB3 ALA A 86 23.752 -11.294 6.391 1.00 34.55 H new ATOM 1174 N VAL A 87 23.249 -8.305 8.229 1.00 25.14 N ATOM 1175 CA VAL A 87 22.461 -7.949 9.403 1.00 41.41 C ATOM 1176 C VAL A 87 22.297 -6.437 9.516 1.00 21.13 C ATOM 1177 O VAL A 87 21.248 -5.945 9.933 1.00 23.22 O ATOM 1178 CB VAL A 87 23.106 -8.482 10.696 1.00 60.43 C ATOM 1179 CG1 VAL A 87 24.423 -7.772 10.968 1.00 1.03 C ATOM 1180 CG2 VAL A 87 22.153 -8.325 11.871 1.00 54.14 C ATOM 0 H VAL A 87 24.243 -8.089 8.307 1.00 25.14 H new ATOM 0 HA VAL A 87 21.481 -8.410 9.278 1.00 41.41 H new ATOM 0 HB VAL A 87 23.314 -9.544 10.566 1.00 60.43 H new ATOM 0 HG11 VAL A 87 24.864 -8.162 11.885 1.00 1.03 H new ATOM 0 HG12 VAL A 87 25.107 -7.942 10.136 1.00 1.03 H new ATOM 0 HG13 VAL A 87 24.244 -6.702 11.078 1.00 1.03 H new ATOM 0 HG21 VAL A 87 22.625 -8.707 12.776 1.00 54.14 H new ATOM 0 HG22 VAL A 87 21.911 -7.271 12.005 1.00 54.14 H new ATOM 0 HG23 VAL A 87 21.239 -8.885 11.675 1.00 54.14 H new ATOM 1190 N PHE A 88 23.341 -5.705 9.142 1.00 53.41 N ATOM 1191 CA PHE A 88 23.313 -4.248 9.202 1.00 41.22 C ATOM 1192 C PHE A 88 23.325 -3.646 7.800 1.00 53.52 C ATOM 1193 O PHE A 88 22.674 -2.633 7.541 1.00 51.11 O ATOM 1194 CB PHE A 88 24.508 -3.726 10.003 1.00 71.40 C ATOM 1195 CG PHE A 88 24.687 -4.413 11.327 1.00 45.03 C ATOM 1196 CD1 PHE A 88 23.626 -4.534 12.209 1.00 1.21 C ATOM 1197 CD2 PHE A 88 25.918 -4.937 11.689 1.00 70.11 C ATOM 1198 CE1 PHE A 88 23.788 -5.165 13.428 1.00 71.30 C ATOM 1199 CE2 PHE A 88 26.086 -5.570 12.906 1.00 14.11 C ATOM 1200 CZ PHE A 88 25.020 -5.683 13.777 1.00 34.12 C ATOM 0 H PHE A 88 24.216 -6.096 8.794 1.00 53.41 H new ATOM 0 HA PHE A 88 22.391 -3.948 9.700 1.00 41.22 H new ATOM 0 HB2 PHE A 88 25.415 -3.852 9.412 1.00 71.40 H new ATOM 0 HB3 PHE A 88 24.383 -2.656 10.171 1.00 71.40 H new ATOM 0 HD1 PHE A 88 22.661 -4.131 11.941 1.00 1.21 H new ATOM 0 HD2 PHE A 88 26.755 -4.850 11.012 1.00 70.11 H new ATOM 0 HE1 PHE A 88 22.952 -5.253 14.107 1.00 71.30 H new ATOM 0 HE2 PHE A 88 27.050 -5.976 13.176 1.00 14.11 H new ATOM 0 HZ PHE A 88 25.150 -6.176 14.729 1.00 34.12 H new ATOM 1210 N LYS A 89 24.070 -4.275 6.898 1.00 31.40 N ATOM 1211 CA LYS A 89 24.168 -3.804 5.522 1.00 74.34 C ATOM 1212 C LYS A 89 23.507 -4.789 4.561 1.00 3.45 C ATOM 1213 O LYS A 89 24.173 -5.550 3.860 1.00 63.20 O ATOM 1214 CB LYS A 89 25.634 -3.602 5.133 1.00 71.01 C ATOM 1215 CG LYS A 89 26.339 -2.536 5.953 1.00 1.31 C ATOM 1216 CD LYS A 89 26.966 -3.121 7.207 1.00 1.14 C ATOM 1217 CE LYS A 89 26.972 -2.116 8.349 1.00 41.53 C ATOM 1218 NZ LYS A 89 27.557 -0.810 7.935 1.00 61.21 N ATOM 0 H LYS A 89 24.616 -5.114 7.096 1.00 31.40 H new ATOM 0 HA LYS A 89 23.646 -2.850 5.453 1.00 74.34 H new ATOM 0 HB2 LYS A 89 26.165 -4.547 5.247 1.00 71.01 H new ATOM 0 HB3 LYS A 89 25.688 -3.332 4.078 1.00 71.01 H new ATOM 0 HG2 LYS A 89 27.110 -2.061 5.347 1.00 1.31 H new ATOM 0 HG3 LYS A 89 25.627 -1.759 6.230 1.00 1.31 H new ATOM 0 HD2 LYS A 89 26.416 -4.012 7.508 1.00 1.14 H new ATOM 0 HD3 LYS A 89 27.987 -3.435 6.992 1.00 1.14 H new ATOM 0 HE2 LYS A 89 25.953 -1.962 8.702 1.00 41.53 H new ATOM 0 HE3 LYS A 89 27.542 -2.520 9.186 1.00 41.53 H new ATOM 0 HZ1 LYS A 89 27.731 -0.225 8.777 1.00 61.21 H new ATOM 0 HZ2 LYS A 89 28.454 -0.974 7.436 1.00 61.21 H new ATOM 0 HZ3 LYS A 89 26.894 -0.318 7.303 1.00 61.21 H new ATOM 1232 N PRO A 90 22.167 -4.774 4.527 1.00 55.54 N ATOM 1233 CA PRO A 90 21.387 -5.658 3.655 1.00 44.54 C ATOM 1234 C PRO A 90 21.527 -5.289 2.182 1.00 64.24 C ATOM 1235 O PRO A 90 21.655 -4.115 1.834 1.00 64.13 O ATOM 1236 CB PRO A 90 19.947 -5.441 4.125 1.00 1.44 C ATOM 1237 CG PRO A 90 19.946 -4.077 4.726 1.00 70.14 C ATOM 1238 CD PRO A 90 21.308 -3.892 5.335 1.00 11.04 C ATOM 0 HA PRO A 90 21.720 -6.694 3.722 1.00 44.54 H new ATOM 0 HB2 PRO A 90 19.245 -5.508 3.294 1.00 1.44 H new ATOM 0 HB3 PRO A 90 19.651 -6.195 4.854 1.00 1.44 H new ATOM 0 HG2 PRO A 90 19.750 -3.317 3.969 1.00 70.14 H new ATOM 0 HG3 PRO A 90 19.165 -3.984 5.481 1.00 70.14 H new ATOM 0 HD2 PRO A 90 21.635 -2.854 5.281 1.00 11.04 H new ATOM 0 HD3 PRO A 90 21.319 -4.175 6.388 1.00 11.04 H new ATOM 1246 N LYS A 91 21.502 -6.299 1.319 1.00 61.41 N ATOM 1247 CA LYS A 91 21.624 -6.083 -0.118 1.00 4.32 C ATOM 1248 C LYS A 91 20.376 -5.404 -0.674 1.00 25.32 C ATOM 1249 O LYS A 91 19.347 -6.048 -0.881 1.00 65.20 O ATOM 1250 CB LYS A 91 21.858 -7.413 -0.837 1.00 71.10 C ATOM 1251 CG LYS A 91 21.982 -7.276 -2.345 1.00 12.14 C ATOM 1252 CD LYS A 91 22.624 -8.505 -2.966 1.00 34.34 C ATOM 1253 CE LYS A 91 22.160 -8.712 -4.399 1.00 71.13 C ATOM 1254 NZ LYS A 91 22.682 -9.983 -4.973 1.00 70.23 N ATOM 0 H LYS A 91 21.398 -7.277 1.590 1.00 61.41 H new ATOM 0 HA LYS A 91 22.479 -5.429 -0.290 1.00 4.32 H new ATOM 0 HB2 LYS A 91 22.766 -7.873 -0.447 1.00 71.10 H new ATOM 0 HB3 LYS A 91 21.035 -8.090 -0.609 1.00 71.10 H new ATOM 0 HG2 LYS A 91 20.994 -7.122 -2.780 1.00 12.14 H new ATOM 0 HG3 LYS A 91 22.577 -6.394 -2.583 1.00 12.14 H new ATOM 0 HD2 LYS A 91 23.709 -8.400 -2.945 1.00 34.34 H new ATOM 0 HD3 LYS A 91 22.378 -9.385 -2.372 1.00 34.34 H new ATOM 0 HE2 LYS A 91 21.070 -8.720 -4.430 1.00 71.13 H new ATOM 0 HE3 LYS A 91 22.490 -7.874 -5.012 1.00 71.13 H new ATOM 0 HZ1 LYS A 91 22.343 -10.087 -5.951 1.00 70.23 H new ATOM 0 HZ2 LYS A 91 23.722 -9.965 -4.967 1.00 70.23 H new ATOM 0 HZ3 LYS A 91 22.346 -10.785 -4.403 1.00 70.23 H new ATOM 1268 N CYS A 92 20.475 -4.101 -0.915 1.00 34.21 N ATOM 1269 CA CYS A 92 19.355 -3.335 -1.448 1.00 74.21 C ATOM 1270 C CYS A 92 19.462 -3.198 -2.964 1.00 61.21 C ATOM 1271 O CYS A 92 20.545 -2.968 -3.501 1.00 1.23 O ATOM 1272 CB CYS A 92 19.304 -1.949 -0.802 1.00 70.31 C ATOM 1273 SG CYS A 92 18.484 -0.683 -1.823 1.00 3.40 S ATOM 0 H CYS A 92 21.320 -3.554 -0.750 1.00 34.21 H new ATOM 0 HA CYS A 92 18.436 -3.872 -1.213 1.00 74.21 H new ATOM 0 HB2 CYS A 92 18.783 -2.024 0.153 1.00 70.31 H new ATOM 0 HB3 CYS A 92 20.321 -1.623 -0.586 1.00 70.31 H new ATOM 1278 N GLU A 93 18.331 -3.341 -3.647 1.00 73.54 N ATOM 1279 CA GLU A 93 18.298 -3.234 -5.101 1.00 64.23 C ATOM 1280 C GLU A 93 16.884 -2.942 -5.594 1.00 0.20 C ATOM 1281 O GLU A 93 15.927 -2.963 -4.819 1.00 44.32 O ATOM 1282 CB GLU A 93 18.817 -4.523 -5.742 1.00 20.43 C ATOM 1283 CG GLU A 93 17.958 -5.740 -5.442 1.00 31.31 C ATOM 1284 CD GLU A 93 17.946 -6.741 -6.581 1.00 23.21 C ATOM 1285 OE1 GLU A 93 19.008 -6.936 -7.210 1.00 12.42 O ATOM 1286 OE2 GLU A 93 16.877 -7.330 -6.844 1.00 12.44 O ATOM 0 H GLU A 93 17.426 -3.531 -3.217 1.00 73.54 H new ATOM 0 HA GLU A 93 18.944 -2.406 -5.393 1.00 64.23 H new ATOM 0 HB2 GLU A 93 18.873 -4.385 -6.822 1.00 20.43 H new ATOM 0 HB3 GLU A 93 19.832 -4.710 -5.392 1.00 20.43 H new ATOM 0 HG2 GLU A 93 18.327 -6.227 -4.539 1.00 31.31 H new ATOM 0 HG3 GLU A 93 16.937 -5.418 -5.236 1.00 31.31 H new ATOM 1293 N LYS A 94 16.759 -2.668 -6.888 1.00 65.53 N ATOM 1294 CA LYS A 94 15.463 -2.372 -7.487 1.00 24.11 C ATOM 1295 C LYS A 94 14.955 -3.559 -8.299 1.00 31.12 C ATOM 1296 O LYS A 94 15.463 -3.844 -9.384 1.00 11.22 O ATOM 1297 CB LYS A 94 15.563 -1.134 -8.381 1.00 34.10 C ATOM 1298 CG LYS A 94 14.803 0.066 -7.844 1.00 11.50 C ATOM 1299 CD LYS A 94 14.800 1.215 -8.838 1.00 45.35 C ATOM 1300 CE LYS A 94 16.212 1.695 -9.139 1.00 42.13 C ATOM 1301 NZ LYS A 94 16.957 2.040 -7.897 1.00 1.31 N ATOM 0 H LYS A 94 17.541 -2.645 -7.543 1.00 65.53 H new ATOM 0 HA LYS A 94 14.755 -2.176 -6.682 1.00 24.11 H new ATOM 0 HB2 LYS A 94 16.613 -0.865 -8.500 1.00 34.10 H new ATOM 0 HB3 LYS A 94 15.183 -1.380 -9.372 1.00 34.10 H new ATOM 0 HG2 LYS A 94 13.777 -0.224 -7.618 1.00 11.50 H new ATOM 0 HG3 LYS A 94 15.255 0.395 -6.908 1.00 11.50 H new ATOM 0 HD2 LYS A 94 14.318 0.897 -9.762 1.00 45.35 H new ATOM 0 HD3 LYS A 94 14.211 2.041 -8.439 1.00 45.35 H new ATOM 0 HE2 LYS A 94 16.751 0.919 -9.682 1.00 42.13 H new ATOM 0 HE3 LYS A 94 16.168 2.568 -9.790 1.00 42.13 H new ATOM 0 HZ1 LYS A 94 17.547 2.879 -8.068 1.00 1.31 H new ATOM 0 HZ2 LYS A 94 16.282 2.241 -7.132 1.00 1.31 H new ATOM 0 HZ3 LYS A 94 17.563 1.241 -7.622 1.00 1.31 H new ATOM 1315 N ILE A 95 13.950 -4.246 -7.767 1.00 74.44 N ATOM 1316 CA ILE A 95 13.372 -5.400 -8.445 1.00 34.53 C ATOM 1317 C ILE A 95 12.245 -4.980 -9.382 1.00 74.20 C ATOM 1318 O ILE A 95 11.215 -4.472 -8.942 1.00 13.53 O ATOM 1319 CB ILE A 95 12.829 -6.431 -7.437 1.00 53.11 C ATOM 1320 CG1 ILE A 95 13.954 -6.929 -6.527 1.00 53.51 C ATOM 1321 CG2 ILE A 95 12.178 -7.595 -8.169 1.00 31.21 C ATOM 1322 CD1 ILE A 95 13.478 -7.357 -5.157 1.00 15.13 C ATOM 0 H ILE A 95 13.519 -4.024 -6.869 1.00 74.44 H new ATOM 0 HA ILE A 95 14.172 -5.858 -9.026 1.00 34.53 H new ATOM 0 HB ILE A 95 12.073 -5.948 -6.817 1.00 53.11 H new ATOM 0 HG12 ILE A 95 14.454 -7.770 -7.008 1.00 53.51 H new ATOM 0 HG13 ILE A 95 14.696 -6.139 -6.414 1.00 53.51 H new ATOM 0 HG21 ILE A 95 11.799 -8.315 -7.444 1.00 31.21 H new ATOM 0 HG22 ILE A 95 11.353 -7.226 -8.779 1.00 31.21 H new ATOM 0 HG23 ILE A 95 12.915 -8.079 -8.810 1.00 31.21 H new ATOM 0 HD11 ILE A 95 14.328 -7.698 -4.566 1.00 15.13 H new ATOM 0 HD12 ILE A 95 13.004 -6.513 -4.656 1.00 15.13 H new ATOM 0 HD13 ILE A 95 12.758 -8.169 -5.259 1.00 15.13 H new ATOM 1334 N ASN A 96 12.447 -5.198 -10.677 1.00 63.43 N ATOM 1335 CA ASN A 96 11.447 -4.843 -11.678 1.00 24.41 C ATOM 1336 C ASN A 96 11.147 -3.348 -11.640 1.00 33.12 C ATOM 1337 O ASN A 96 10.099 -2.903 -12.105 1.00 54.13 O ATOM 1338 CB ASN A 96 10.161 -5.640 -11.448 1.00 42.45 C ATOM 1339 CG ASN A 96 9.212 -5.558 -12.629 1.00 25.22 C ATOM 1340 OD1 ASN A 96 9.442 -6.178 -13.668 1.00 11.34 O ATOM 1341 ND2 ASN A 96 8.140 -4.791 -12.474 1.00 12.13 N ATOM 0 H ASN A 96 13.294 -5.619 -11.058 1.00 63.43 H new ATOM 0 HA ASN A 96 11.848 -5.089 -12.661 1.00 24.41 H new ATOM 0 HB2 ASN A 96 10.412 -6.684 -11.259 1.00 42.45 H new ATOM 0 HB3 ASN A 96 9.659 -5.266 -10.555 1.00 42.45 H new ATOM 0 HD21 ASN A 96 7.466 -4.697 -13.234 1.00 12.13 H new ATOM 0 HD22 ASN A 96 7.990 -4.296 -11.595 1.00 12.13 H new ATOM 1348 N GLY A 97 12.075 -2.577 -11.082 1.00 23.12 N ATOM 1349 CA GLY A 97 11.892 -1.140 -10.994 1.00 34.34 C ATOM 1350 C GLY A 97 11.299 -0.712 -9.666 1.00 33.11 C ATOM 1351 O GLY A 97 10.709 0.363 -9.561 1.00 22.24 O ATOM 0 H GLY A 97 12.951 -2.922 -10.689 1.00 23.12 H new ATOM 0 HA2 GLY A 97 12.853 -0.645 -11.136 1.00 34.34 H new ATOM 0 HA3 GLY A 97 11.240 -0.809 -11.803 1.00 34.34 H new ATOM 1355 N GLU A 98 11.454 -1.556 -8.650 1.00 52.04 N ATOM 1356 CA GLU A 98 10.926 -1.259 -7.324 1.00 3.02 C ATOM 1357 C GLU A 98 12.019 -1.376 -6.265 1.00 41.11 C ATOM 1358 O GLU A 98 12.577 -2.452 -6.050 1.00 44.12 O ATOM 1359 CB GLU A 98 9.771 -2.204 -6.987 1.00 1.03 C ATOM 1360 CG GLU A 98 8.640 -2.169 -8.001 1.00 23.00 C ATOM 1361 CD GLU A 98 7.518 -3.128 -7.656 1.00 74.33 C ATOM 1362 OE1 GLU A 98 7.728 -3.997 -6.784 1.00 74.43 O ATOM 1363 OE2 GLU A 98 6.430 -3.010 -8.258 1.00 70.41 O ATOM 0 H GLU A 98 11.940 -2.450 -8.720 1.00 52.04 H new ATOM 0 HA GLU A 98 10.557 -0.233 -7.329 1.00 3.02 H new ATOM 0 HB2 GLU A 98 10.154 -3.222 -6.918 1.00 1.03 H new ATOM 0 HB3 GLU A 98 9.375 -1.945 -6.005 1.00 1.03 H new ATOM 0 HG2 GLU A 98 8.242 -1.156 -8.061 1.00 23.00 H new ATOM 0 HG3 GLU A 98 9.033 -2.416 -8.987 1.00 23.00 H new ATOM 1370 N ASP A 99 12.319 -0.261 -5.608 1.00 20.34 N ATOM 1371 CA ASP A 99 13.344 -0.238 -4.571 1.00 3.51 C ATOM 1372 C ASP A 99 12.995 -1.199 -3.439 1.00 64.44 C ATOM 1373 O ASP A 99 12.184 -0.882 -2.570 1.00 61.11 O ATOM 1374 CB ASP A 99 13.510 1.180 -4.020 1.00 34.54 C ATOM 1375 CG ASP A 99 13.872 2.182 -5.098 1.00 32.31 C ATOM 1376 OD1 ASP A 99 12.965 2.599 -5.848 1.00 11.43 O ATOM 1377 OD2 ASP A 99 15.062 2.548 -5.193 1.00 22.43 O ATOM 0 H ASP A 99 11.867 0.638 -5.775 1.00 20.34 H new ATOM 0 HA ASP A 99 14.285 -0.559 -5.018 1.00 3.51 H new ATOM 0 HB2 ASP A 99 12.583 1.490 -3.537 1.00 34.54 H new ATOM 0 HB3 ASP A 99 14.285 1.180 -3.253 1.00 34.54 H new ATOM 1382 N MET A 100 13.613 -2.376 -3.458 1.00 70.02 N ATOM 1383 CA MET A 100 13.367 -3.384 -2.433 1.00 63.14 C ATOM 1384 C MET A 100 14.656 -3.737 -1.698 1.00 3.11 C ATOM 1385 O MET A 100 15.731 -3.239 -2.034 1.00 71.33 O ATOM 1386 CB MET A 100 12.763 -4.642 -3.060 1.00 21.22 C ATOM 1387 CG MET A 100 11.555 -4.363 -3.940 1.00 22.15 C ATOM 1388 SD MET A 100 10.066 -5.198 -3.360 1.00 11.13 S ATOM 1389 CE MET A 100 10.036 -6.626 -4.440 1.00 22.31 C ATOM 0 H MET A 100 14.287 -2.655 -4.171 1.00 70.02 H new ATOM 0 HA MET A 100 12.661 -2.970 -1.713 1.00 63.14 H new ATOM 0 HB2 MET A 100 13.527 -5.144 -3.654 1.00 21.22 H new ATOM 0 HB3 MET A 100 12.473 -5.330 -2.266 1.00 21.22 H new ATOM 0 HG2 MET A 100 11.375 -3.289 -3.973 1.00 22.15 H new ATOM 0 HG3 MET A 100 11.772 -4.681 -4.960 1.00 22.15 H new ATOM 0 HE1 MET A 100 9.059 -7.106 -4.382 1.00 22.31 H new ATOM 0 HE2 MET A 100 10.225 -6.310 -5.466 1.00 22.31 H new ATOM 0 HE3 MET A 100 10.806 -7.333 -4.130 1.00 22.31 H new ATOM 1399 N VAL A 101 14.542 -4.598 -0.692 1.00 34.21 N ATOM 1400 CA VAL A 101 15.698 -5.018 0.091 1.00 60.04 C ATOM 1401 C VAL A 101 15.756 -6.536 0.214 1.00 31.45 C ATOM 1402 O VAL A 101 14.774 -7.229 -0.052 1.00 73.41 O ATOM 1403 CB VAL A 101 15.676 -4.399 1.501 1.00 32.40 C ATOM 1404 CG1 VAL A 101 16.122 -2.946 1.454 1.00 64.11 C ATOM 1405 CG2 VAL A 101 14.289 -4.520 2.113 1.00 14.14 C ATOM 0 H VAL A 101 13.660 -5.019 -0.400 1.00 34.21 H new ATOM 0 HA VAL A 101 16.584 -4.666 -0.438 1.00 60.04 H new ATOM 0 HB VAL A 101 16.376 -4.948 2.131 1.00 32.40 H new ATOM 0 HG11 VAL A 101 16.100 -2.526 2.460 1.00 64.11 H new ATOM 0 HG12 VAL A 101 17.136 -2.889 1.059 1.00 64.11 H new ATOM 0 HG13 VAL A 101 15.450 -2.380 0.809 1.00 64.11 H new ATOM 0 HG21 VAL A 101 14.291 -4.078 3.109 1.00 14.14 H new ATOM 0 HG22 VAL A 101 13.567 -3.997 1.485 1.00 14.14 H new ATOM 0 HG23 VAL A 101 14.013 -5.572 2.184 1.00 14.14 H new ATOM 1415 N TYR A 102 16.913 -7.047 0.621 1.00 74.51 N ATOM 1416 CA TYR A 102 17.100 -8.485 0.779 1.00 52.24 C ATOM 1417 C TYR A 102 17.364 -8.843 2.238 1.00 71.01 C ATOM 1418 O TYR A 102 18.223 -8.248 2.890 1.00 20.21 O ATOM 1419 CB TYR A 102 18.259 -8.968 -0.095 1.00 21.25 C ATOM 1420 CG TYR A 102 17.860 -9.259 -1.524 1.00 4.42 C ATOM 1421 CD1 TYR A 102 16.919 -10.237 -1.818 1.00 65.44 C ATOM 1422 CD2 TYR A 102 18.424 -8.553 -2.580 1.00 23.12 C ATOM 1423 CE1 TYR A 102 16.553 -10.506 -3.123 1.00 20.52 C ATOM 1424 CE2 TYR A 102 18.063 -8.814 -3.887 1.00 73.44 C ATOM 1425 CZ TYR A 102 17.127 -9.792 -4.154 1.00 22.33 C ATOM 1426 OH TYR A 102 16.764 -10.056 -5.454 1.00 73.44 O ATOM 0 H TYR A 102 17.735 -6.487 0.847 1.00 74.51 H new ATOM 0 HA TYR A 102 16.183 -8.982 0.463 1.00 52.24 H new ATOM 0 HB2 TYR A 102 19.044 -8.212 -0.093 1.00 21.25 H new ATOM 0 HB3 TYR A 102 18.684 -9.870 0.346 1.00 21.25 H new ATOM 0 HD1 TYR A 102 16.466 -10.797 -1.013 1.00 65.44 H new ATOM 0 HD2 TYR A 102 19.157 -7.787 -2.375 1.00 23.12 H new ATOM 0 HE1 TYR A 102 15.821 -11.272 -3.335 1.00 20.52 H new ATOM 0 HE2 TYR A 102 18.511 -8.256 -4.696 1.00 73.44 H new ATOM 0 HH TYR A 102 16.783 -9.226 -5.974 1.00 73.44 H new ATOM 1436 N LEU A 103 16.619 -9.820 2.744 1.00 4.33 N ATOM 1437 CA LEU A 103 16.772 -10.260 4.127 1.00 51.22 C ATOM 1438 C LEU A 103 17.564 -11.561 4.200 1.00 62.12 C ATOM 1439 O LEU A 103 17.666 -12.310 3.228 1.00 44.33 O ATOM 1440 CB LEU A 103 15.400 -10.447 4.777 1.00 22.43 C ATOM 1441 CG LEU A 103 14.723 -9.177 5.293 1.00 75.40 C ATOM 1442 CD1 LEU A 103 14.309 -8.285 4.133 1.00 12.44 C ATOM 1443 CD2 LEU A 103 13.518 -9.528 6.155 1.00 43.22 C ATOM 0 H LEU A 103 15.904 -10.322 2.218 1.00 4.33 H new ATOM 0 HA LEU A 103 17.322 -9.491 4.669 1.00 51.22 H new ATOM 0 HB2 LEU A 103 14.738 -10.919 4.051 1.00 22.43 H new ATOM 0 HB3 LEU A 103 15.506 -11.142 5.610 1.00 22.43 H new ATOM 0 HG LEU A 103 15.438 -8.630 5.908 1.00 75.40 H new ATOM 0 HD11 LEU A 103 13.829 -7.386 4.519 1.00 12.44 H new ATOM 0 HD12 LEU A 103 15.191 -8.006 3.556 1.00 12.44 H new ATOM 0 HD13 LEU A 103 13.610 -8.823 3.492 1.00 12.44 H new ATOM 0 HD21 LEU A 103 13.048 -8.612 6.514 1.00 43.22 H new ATOM 0 HD22 LEU A 103 12.800 -10.096 5.563 1.00 43.22 H new ATOM 0 HD23 LEU A 103 13.842 -10.127 7.006 1.00 43.22 H new ATOM 1455 N PRO A 104 18.137 -11.840 5.380 1.00 44.20 N ATOM 1456 CA PRO A 104 18.928 -13.053 5.609 1.00 3.41 C ATOM 1457 C PRO A 104 18.069 -14.312 5.618 1.00 33.13 C ATOM 1458 O PRO A 104 16.929 -14.294 6.082 1.00 54.52 O ATOM 1459 CB PRO A 104 19.547 -12.817 6.989 1.00 32.34 C ATOM 1460 CG PRO A 104 18.614 -11.873 7.666 1.00 4.22 C ATOM 1461 CD PRO A 104 18.057 -10.993 6.582 1.00 42.32 C ATOM 0 HA PRO A 104 19.662 -13.216 4.820 1.00 3.41 H new ATOM 0 HB2 PRO A 104 19.640 -13.749 7.546 1.00 32.34 H new ATOM 0 HB3 PRO A 104 20.548 -12.394 6.907 1.00 32.34 H new ATOM 0 HG2 PRO A 104 17.817 -12.412 8.179 1.00 4.22 H new ATOM 0 HG3 PRO A 104 19.135 -11.282 8.419 1.00 4.22 H new ATOM 0 HD2 PRO A 104 17.031 -10.694 6.795 1.00 42.32 H new ATOM 0 HD3 PRO A 104 18.639 -10.078 6.468 1.00 42.32 H new ATOM 1469 N SER A 105 18.623 -15.405 5.104 1.00 61.13 N ATOM 1470 CA SER A 105 17.905 -16.673 5.050 1.00 63.32 C ATOM 1471 C SER A 105 18.176 -17.504 6.300 1.00 21.33 C ATOM 1472 O SER A 105 19.026 -17.155 7.120 1.00 42.24 O ATOM 1473 CB SER A 105 18.311 -17.461 3.803 1.00 44.34 C ATOM 1474 OG SER A 105 17.821 -16.841 2.626 1.00 33.42 O ATOM 0 H SER A 105 19.567 -15.438 4.719 1.00 61.13 H new ATOM 0 HA SER A 105 16.838 -16.456 5.003 1.00 63.32 H new ATOM 0 HB2 SER A 105 19.397 -17.535 3.754 1.00 44.34 H new ATOM 0 HB3 SER A 105 17.925 -18.478 3.870 1.00 44.34 H new ATOM 0 HG SER A 105 18.095 -17.363 1.843 1.00 33.42 H new ATOM 1480 N TYR A 106 17.447 -18.606 6.440 1.00 41.11 N ATOM 1481 CA TYR A 106 17.606 -19.487 7.591 1.00 13.41 C ATOM 1482 C TYR A 106 19.071 -19.861 7.793 1.00 10.42 C ATOM 1483 O TYR A 106 19.522 -20.056 8.921 1.00 64.31 O ATOM 1484 CB TYR A 106 16.765 -20.752 7.411 1.00 0.25 C ATOM 1485 CG TYR A 106 17.330 -21.714 6.391 1.00 33.33 C ATOM 1486 CD1 TYR A 106 17.284 -21.424 5.033 1.00 25.04 C ATOM 1487 CD2 TYR A 106 17.910 -22.914 6.786 1.00 54.13 C ATOM 1488 CE1 TYR A 106 17.799 -22.301 4.098 1.00 55.10 C ATOM 1489 CE2 TYR A 106 18.428 -23.796 5.857 1.00 34.24 C ATOM 1490 CZ TYR A 106 18.369 -23.485 4.515 1.00 62.52 C ATOM 1491 OH TYR A 106 18.884 -24.361 3.586 1.00 33.02 O ATOM 0 H TYR A 106 16.740 -18.910 5.771 1.00 41.11 H new ATOM 0 HA TYR A 106 17.261 -18.952 8.476 1.00 13.41 H new ATOM 0 HB2 TYR A 106 16.680 -21.262 8.371 1.00 0.25 H new ATOM 0 HB3 TYR A 106 15.756 -20.468 7.111 1.00 0.25 H new ATOM 0 HD1 TYR A 106 16.838 -20.497 4.703 1.00 25.04 H new ATOM 0 HD2 TYR A 106 17.957 -23.161 7.836 1.00 54.13 H new ATOM 0 HE1 TYR A 106 17.755 -22.060 3.046 1.00 55.10 H new ATOM 0 HE2 TYR A 106 18.877 -24.724 6.180 1.00 34.24 H new ATOM 0 HH TYR A 106 19.250 -25.146 4.044 1.00 33.02 H new ATOM 1501 N GLU A 107 19.808 -19.957 6.691 1.00 52.02 N ATOM 1502 CA GLU A 107 21.222 -20.308 6.746 1.00 1.55 C ATOM 1503 C GLU A 107 22.020 -19.236 7.484 1.00 34.04 C ATOM 1504 O GLU A 107 22.701 -19.522 8.468 1.00 32.15 O ATOM 1505 CB GLU A 107 21.781 -20.492 5.334 1.00 75.31 C ATOM 1506 CG GLU A 107 22.897 -21.519 5.250 1.00 21.43 C ATOM 1507 CD GLU A 107 23.027 -22.128 3.868 1.00 64.23 C ATOM 1508 OE1 GLU A 107 22.305 -23.106 3.580 1.00 2.31 O ATOM 1509 OE2 GLU A 107 23.851 -21.628 3.074 1.00 41.13 O ATOM 0 H GLU A 107 19.449 -19.797 5.750 1.00 52.02 H new ATOM 0 HA GLU A 107 21.315 -21.247 7.291 1.00 1.55 H new ATOM 0 HB2 GLU A 107 20.972 -20.792 4.668 1.00 75.31 H new ATOM 0 HB3 GLU A 107 22.153 -19.534 4.972 1.00 75.31 H new ATOM 0 HG2 GLU A 107 23.841 -21.048 5.525 1.00 21.43 H new ATOM 0 HG3 GLU A 107 22.712 -22.311 5.976 1.00 21.43 H new ATOM 1516 N MET A 108 21.929 -18.001 7.001 1.00 64.54 N ATOM 1517 CA MET A 108 22.642 -16.887 7.614 1.00 12.33 C ATOM 1518 C MET A 108 22.336 -16.801 9.106 1.00 34.11 C ATOM 1519 O MET A 108 23.233 -16.596 9.924 1.00 63.43 O ATOM 1520 CB MET A 108 22.264 -15.573 6.928 1.00 42.40 C ATOM 1521 CG MET A 108 22.912 -15.391 5.565 1.00 51.21 C ATOM 1522 SD MET A 108 24.652 -14.933 5.678 1.00 1.13 S ATOM 1523 CE MET A 108 24.678 -13.451 4.673 1.00 45.22 C ATOM 0 H MET A 108 21.369 -17.747 6.187 1.00 64.54 H new ATOM 0 HA MET A 108 23.711 -17.060 7.489 1.00 12.33 H new ATOM 0 HB2 MET A 108 21.181 -15.530 6.815 1.00 42.40 H new ATOM 0 HB3 MET A 108 22.550 -14.741 7.571 1.00 42.40 H new ATOM 0 HG2 MET A 108 22.820 -16.317 4.997 1.00 51.21 H new ATOM 0 HG3 MET A 108 22.373 -14.622 5.011 1.00 51.21 H new ATOM 0 HE1 MET A 108 25.266 -12.682 5.174 1.00 45.22 H new ATOM 0 HE2 MET A 108 25.124 -13.676 3.704 1.00 45.22 H new ATOM 0 HE3 MET A 108 23.659 -13.092 4.528 1.00 45.22 H new ATOM 1533 N CYS A 109 21.063 -16.959 9.454 1.00 11.44 N ATOM 1534 CA CYS A 109 20.638 -16.898 10.848 1.00 73.44 C ATOM 1535 C CYS A 109 21.036 -18.169 11.593 1.00 13.01 C ATOM 1536 O CYS A 109 21.170 -18.167 12.817 1.00 42.41 O ATOM 1537 CB CYS A 109 19.123 -16.697 10.932 1.00 24.42 C ATOM 1538 SG CYS A 109 18.574 -15.008 10.530 1.00 40.31 S ATOM 0 H CYS A 109 20.308 -17.130 8.790 1.00 11.44 H new ATOM 0 HA CYS A 109 21.137 -16.051 11.318 1.00 73.44 H new ATOM 0 HB2 CYS A 109 18.636 -17.397 10.253 1.00 24.42 H new ATOM 0 HB3 CYS A 109 18.790 -16.946 11.939 1.00 24.42 H new ATOM 1543 N ARG A 110 21.223 -19.252 10.847 1.00 74.55 N ATOM 1544 CA ARG A 110 21.604 -20.530 11.436 1.00 21.12 C ATOM 1545 C ARG A 110 23.058 -20.502 11.900 1.00 34.40 C ATOM 1546 O ARG A 110 23.422 -21.164 12.872 1.00 34.25 O ATOM 1547 CB ARG A 110 21.401 -21.662 10.428 1.00 71.42 C ATOM 1548 CG ARG A 110 21.930 -23.005 10.905 1.00 74.10 C ATOM 1549 CD ARG A 110 20.891 -24.104 10.739 1.00 1.52 C ATOM 1550 NE ARG A 110 21.314 -25.355 11.363 1.00 54.24 N ATOM 1551 CZ ARG A 110 20.516 -26.406 11.515 1.00 51.00 C ATOM 1552 NH1 ARG A 110 19.261 -26.357 11.091 1.00 54.21 N ATOM 1553 NH2 ARG A 110 20.974 -27.510 12.092 1.00 14.42 N ATOM 0 H ARG A 110 21.117 -19.270 9.833 1.00 74.55 H new ATOM 0 HA ARG A 110 20.967 -20.707 12.302 1.00 21.12 H new ATOM 0 HB2 ARG A 110 20.337 -21.757 10.210 1.00 71.42 H new ATOM 0 HB3 ARG A 110 21.895 -21.398 9.493 1.00 71.42 H new ATOM 0 HG2 ARG A 110 22.828 -23.264 10.344 1.00 74.10 H new ATOM 0 HG3 ARG A 110 22.219 -22.932 11.953 1.00 74.10 H new ATOM 0 HD2 ARG A 110 19.947 -23.780 11.179 1.00 1.52 H new ATOM 0 HD3 ARG A 110 20.707 -24.272 9.678 1.00 1.52 H new ATOM 0 HE ARG A 110 22.274 -25.425 11.700 1.00 54.24 H new ATOM 0 HH11 ARG A 110 18.906 -25.511 10.647 1.00 54.21 H new ATOM 0 HH12 ARG A 110 18.651 -27.166 11.209 1.00 54.21 H new ATOM 0 HH21 ARG A 110 21.939 -27.552 12.419 1.00 14.42 H new ATOM 0 HH22 ARG A 110 20.361 -28.317 12.208 1.00 14.42 H new ATOM 1567 N ILE A 111 23.883 -19.733 11.198 1.00 73.32 N ATOM 1568 CA ILE A 111 25.295 -19.619 11.538 1.00 24.40 C ATOM 1569 C ILE A 111 25.480 -19.296 13.017 1.00 44.13 C ATOM 1570 O ILE A 111 26.451 -19.725 13.641 1.00 3.44 O ATOM 1571 CB ILE A 111 25.992 -18.534 10.696 1.00 73.23 C ATOM 1572 CG1 ILE A 111 25.727 -18.765 9.207 1.00 74.44 C ATOM 1573 CG2 ILE A 111 27.487 -18.523 10.978 1.00 53.14 C ATOM 1574 CD1 ILE A 111 26.072 -20.163 8.741 1.00 2.41 C ATOM 0 H ILE A 111 23.598 -19.180 10.390 1.00 73.32 H new ATOM 0 HA ILE A 111 25.751 -20.585 11.319 1.00 24.40 H new ATOM 0 HB ILE A 111 25.583 -17.562 10.972 1.00 73.23 H new ATOM 0 HG12 ILE A 111 24.675 -18.571 8.999 1.00 74.44 H new ATOM 0 HG13 ILE A 111 26.305 -18.045 8.627 1.00 74.44 H new ATOM 0 HG21 ILE A 111 27.965 -17.751 10.375 1.00 53.14 H new ATOM 0 HG22 ILE A 111 27.656 -18.316 12.035 1.00 53.14 H new ATOM 0 HG23 ILE A 111 27.912 -19.495 10.726 1.00 53.14 H new ATOM 0 HD11 ILE A 111 25.859 -20.255 7.676 1.00 2.41 H new ATOM 0 HD12 ILE A 111 27.131 -20.354 8.917 1.00 2.41 H new ATOM 0 HD13 ILE A 111 25.476 -20.888 9.294 1.00 2.41 H new ATOM 1586 N THR A 112 24.541 -18.537 13.573 1.00 31.20 N ATOM 1587 CA THR A 112 24.599 -18.156 14.979 1.00 61.44 C ATOM 1588 C THR A 112 23.850 -19.157 15.851 1.00 61.21 C ATOM 1589 O THR A 112 24.091 -19.248 17.054 1.00 23.22 O ATOM 1590 CB THR A 112 24.008 -16.752 15.205 1.00 22.10 C ATOM 1591 OG1 THR A 112 22.581 -16.797 15.094 1.00 63.32 O ATOM 1592 CG2 THR A 112 24.569 -15.760 14.198 1.00 42.15 C ATOM 0 H THR A 112 23.731 -18.174 13.071 1.00 31.20 H new ATOM 0 HA THR A 112 25.652 -18.149 15.262 1.00 61.44 H new ATOM 0 HB THR A 112 24.284 -16.423 16.207 1.00 22.10 H new ATOM 0 HG1 THR A 112 22.331 -17.287 14.283 1.00 63.32 H new ATOM 0 HG21 THR A 112 24.137 -14.776 14.378 1.00 42.15 H new ATOM 0 HG22 THR A 112 25.652 -15.706 14.305 1.00 42.15 H new ATOM 0 HG23 THR A 112 24.320 -16.087 13.188 1.00 42.15 H new ATOM 1600 N MET A 113 22.941 -19.907 15.236 1.00 1.12 N ATOM 1601 CA MET A 113 22.158 -20.903 15.958 1.00 60.21 C ATOM 1602 C MET A 113 23.038 -22.065 16.408 1.00 4.32 C ATOM 1603 O MET A 113 22.819 -22.645 17.471 1.00 72.34 O ATOM 1604 CB MET A 113 21.019 -21.423 15.079 1.00 51.44 C ATOM 1605 CG MET A 113 19.794 -20.523 15.077 1.00 35.15 C ATOM 1606 SD MET A 113 18.408 -21.238 14.172 1.00 50.02 S ATOM 1607 CE MET A 113 18.440 -20.256 12.674 1.00 61.41 C ATOM 0 H MET A 113 22.729 -19.844 14.240 1.00 1.12 H new ATOM 0 HA MET A 113 21.736 -20.425 16.842 1.00 60.21 H new ATOM 0 HB2 MET A 113 21.381 -21.533 14.057 1.00 51.44 H new ATOM 0 HB3 MET A 113 20.730 -22.416 15.423 1.00 51.44 H new ATOM 0 HG2 MET A 113 19.490 -20.328 16.105 1.00 35.15 H new ATOM 0 HG3 MET A 113 20.055 -19.562 14.634 1.00 35.15 H new ATOM 0 HE1 MET A 113 17.431 -19.915 12.441 1.00 61.41 H new ATOM 0 HE2 MET A 113 19.091 -19.394 12.818 1.00 61.41 H new ATOM 0 HE3 MET A 113 18.817 -20.862 11.850 1.00 61.41 H new ATOM 1617 N GLU A 114 24.034 -22.397 15.593 1.00 63.51 N ATOM 1618 CA GLU A 114 24.946 -23.491 15.909 1.00 42.34 C ATOM 1619 C GLU A 114 25.562 -23.304 17.292 1.00 15.54 C ATOM 1620 O GLU A 114 25.377 -24.118 18.197 1.00 13.11 O ATOM 1621 CB GLU A 114 26.052 -23.582 14.855 1.00 72.51 C ATOM 1622 CG GLU A 114 25.973 -24.835 13.998 1.00 43.44 C ATOM 1623 CD GLU A 114 26.781 -25.984 14.569 1.00 74.14 C ATOM 1624 OE1 GLU A 114 26.462 -26.435 15.688 1.00 34.53 O ATOM 1625 OE2 GLU A 114 27.732 -26.432 13.895 1.00 71.42 O ATOM 0 H GLU A 114 24.230 -21.925 14.710 1.00 63.51 H new ATOM 0 HA GLU A 114 24.374 -24.419 15.907 1.00 42.34 H new ATOM 0 HB2 GLU A 114 26.000 -22.706 14.209 1.00 72.51 H new ATOM 0 HB3 GLU A 114 27.021 -23.553 15.353 1.00 72.51 H new ATOM 0 HG2 GLU A 114 24.931 -25.140 13.903 1.00 43.44 H new ATOM 0 HG3 GLU A 114 26.331 -24.607 12.994 1.00 43.44 H new ATOM 1632 N PRO A 115 26.312 -22.205 17.462 1.00 0.10 N ATOM 1633 CA PRO A 115 26.970 -21.884 18.732 1.00 63.20 C ATOM 1634 C PRO A 115 25.975 -21.491 19.818 1.00 54.11 C ATOM 1635 O PRO A 115 26.028 -22.001 20.937 1.00 12.25 O ATOM 1636 CB PRO A 115 27.869 -20.698 18.376 1.00 44.32 C ATOM 1637 CG PRO A 115 27.215 -20.067 17.195 1.00 33.24 C ATOM 1638 CD PRO A 115 26.575 -21.191 16.427 1.00 3.23 C ATOM 0 HA PRO A 115 27.510 -22.739 19.138 1.00 63.20 H new ATOM 0 HB2 PRO A 115 27.947 -19.997 19.207 1.00 44.32 H new ATOM 0 HB3 PRO A 115 28.881 -21.026 18.140 1.00 44.32 H new ATOM 0 HG2 PRO A 115 26.471 -19.334 17.506 1.00 33.24 H new ATOM 0 HG3 PRO A 115 27.944 -19.540 16.580 1.00 33.24 H new ATOM 0 HD2 PRO A 115 25.656 -20.870 15.936 1.00 3.23 H new ATOM 0 HD3 PRO A 115 27.236 -21.573 15.649 1.00 3.23 H new ATOM 1646 N CYS A 116 25.067 -20.581 19.480 1.00 34.43 N ATOM 1647 CA CYS A 116 24.058 -20.119 20.426 1.00 21.22 C ATOM 1648 C CYS A 116 22.654 -20.450 19.929 1.00 32.21 C ATOM 1649 O CYS A 116 21.956 -19.591 19.390 1.00 3.33 O ATOM 1650 CB CYS A 116 24.190 -18.611 20.648 1.00 21.23 C ATOM 1651 SG CYS A 116 25.890 -18.057 20.997 1.00 61.01 S ATOM 0 H CYS A 116 25.009 -20.149 18.558 1.00 34.43 H new ATOM 0 HA CYS A 116 24.220 -20.635 21.373 1.00 21.22 H new ATOM 0 HB2 CYS A 116 23.824 -18.091 19.763 1.00 21.23 H new ATOM 0 HB3 CYS A 116 23.546 -18.319 21.478 1.00 21.23 H new ATOM 1656 N ARG A 117 22.246 -21.702 20.114 1.00 2.53 N ATOM 1657 CA ARG A 117 20.926 -22.147 19.684 1.00 2.33 C ATOM 1658 C ARG A 117 19.843 -21.619 20.620 1.00 31.24 C ATOM 1659 O ARG A 117 18.673 -21.533 20.246 1.00 60.33 O ATOM 1660 CB ARG A 117 20.871 -23.675 19.633 1.00 5.41 C ATOM 1661 CG ARG A 117 19.460 -24.231 19.542 1.00 51.22 C ATOM 1662 CD ARG A 117 18.897 -24.551 20.918 1.00 63.23 C ATOM 1663 NE ARG A 117 18.699 -25.986 21.108 1.00 43.34 N ATOM 1664 CZ ARG A 117 18.033 -26.506 22.132 1.00 74.32 C ATOM 1665 NH1 ARG A 117 17.502 -25.714 23.053 1.00 23.23 N ATOM 1666 NH2 ARG A 117 17.895 -27.822 22.235 1.00 12.03 N ATOM 0 H ARG A 117 22.811 -22.426 20.559 1.00 2.53 H new ATOM 0 HA ARG A 117 20.744 -21.750 18.685 1.00 2.33 H new ATOM 0 HB2 ARG A 117 21.445 -24.022 18.774 1.00 5.41 H new ATOM 0 HB3 ARG A 117 21.354 -24.077 20.523 1.00 5.41 H new ATOM 0 HG2 ARG A 117 18.815 -23.508 19.043 1.00 51.22 H new ATOM 0 HG3 ARG A 117 19.462 -25.133 18.930 1.00 51.22 H new ATOM 0 HD2 ARG A 117 19.575 -24.174 21.684 1.00 63.23 H new ATOM 0 HD3 ARG A 117 17.947 -24.033 21.050 1.00 63.23 H new ATOM 0 HE ARG A 117 19.094 -26.623 20.416 1.00 43.34 H new ATOM 0 HH11 ARG A 117 17.605 -24.702 22.976 1.00 23.23 H new ATOM 0 HH12 ARG A 117 16.991 -26.117 23.839 1.00 23.23 H new ATOM 0 HH21 ARG A 117 18.301 -28.434 21.527 1.00 12.03 H new ATOM 0 HH22 ARG A 117 17.383 -28.221 23.022 1.00 12.03 H new ATOM 1680 N ILE A 118 20.240 -21.268 21.839 1.00 65.43 N ATOM 1681 CA ILE A 118 19.304 -20.749 22.828 1.00 72.25 C ATOM 1682 C ILE A 118 18.696 -19.428 22.369 1.00 44.13 C ATOM 1683 O ILE A 118 17.686 -18.975 22.909 1.00 60.50 O ATOM 1684 CB ILE A 118 19.985 -20.542 24.193 1.00 15.43 C ATOM 1685 CG1 ILE A 118 20.688 -21.826 24.638 1.00 51.35 C ATOM 1686 CG2 ILE A 118 18.964 -20.104 25.233 1.00 53.42 C ATOM 1687 CD1 ILE A 118 19.771 -23.028 24.695 1.00 3.34 C ATOM 0 H ILE A 118 21.204 -21.334 22.165 1.00 65.43 H new ATOM 0 HA ILE A 118 18.514 -21.492 22.935 1.00 72.25 H new ATOM 0 HB ILE A 118 20.734 -19.756 24.093 1.00 15.43 H new ATOM 0 HG12 ILE A 118 21.509 -22.037 23.953 1.00 51.35 H new ATOM 0 HG13 ILE A 118 21.128 -21.667 25.623 1.00 51.35 H new ATOM 0 HG21 ILE A 118 19.460 -19.962 26.193 1.00 53.42 H new ATOM 0 HG22 ILE A 118 18.505 -19.167 24.920 1.00 53.42 H new ATOM 0 HG23 ILE A 118 18.195 -20.870 25.333 1.00 53.42 H new ATOM 0 HD11 ILE A 118 20.337 -23.902 25.018 1.00 3.34 H new ATOM 0 HD12 ILE A 118 18.964 -22.837 25.402 1.00 3.34 H new ATOM 0 HD13 ILE A 118 19.351 -23.212 23.706 1.00 3.34 H new ATOM 1699 N LEU A 119 19.317 -18.814 21.368 1.00 44.32 N ATOM 1700 CA LEU A 119 18.837 -17.544 20.834 1.00 42.14 C ATOM 1701 C LEU A 119 18.010 -17.762 19.571 1.00 71.41 C ATOM 1702 O LEU A 119 17.966 -16.904 18.689 1.00 65.42 O ATOM 1703 CB LEU A 119 20.016 -16.617 20.531 1.00 72.11 C ATOM 1704 CG LEU A 119 20.604 -15.866 21.726 1.00 33.43 C ATOM 1705 CD1 LEU A 119 19.543 -14.997 22.385 1.00 64.42 C ATOM 1706 CD2 LEU A 119 21.195 -16.844 22.732 1.00 54.12 C ATOM 0 H LEU A 119 20.154 -19.175 20.910 1.00 44.32 H new ATOM 0 HA LEU A 119 18.201 -17.079 21.587 1.00 42.14 H new ATOM 0 HB2 LEU A 119 20.809 -17.208 20.073 1.00 72.11 H new ATOM 0 HB3 LEU A 119 19.696 -15.885 19.789 1.00 72.11 H new ATOM 0 HG LEU A 119 21.403 -15.218 21.366 1.00 33.43 H new ATOM 0 HD11 LEU A 119 19.980 -14.470 23.233 1.00 64.42 H new ATOM 0 HD12 LEU A 119 19.166 -14.273 21.663 1.00 64.42 H new ATOM 0 HD13 LEU A 119 18.722 -15.625 22.731 1.00 64.42 H new ATOM 0 HD21 LEU A 119 21.609 -16.292 23.576 1.00 54.12 H new ATOM 0 HD22 LEU A 119 20.415 -17.517 23.086 1.00 54.12 H new ATOM 0 HD23 LEU A 119 21.985 -17.424 22.255 1.00 54.12 H new ATOM 1718 N TYR A 120 17.354 -18.915 19.492 1.00 14.50 N ATOM 1719 CA TYR A 120 16.527 -19.246 18.337 1.00 4.02 C ATOM 1720 C TYR A 120 15.184 -18.526 18.404 1.00 41.23 C ATOM 1721 O TYR A 120 14.363 -18.635 17.494 1.00 43.20 O ATOM 1722 CB TYR A 120 16.305 -20.757 18.260 1.00 61.42 C ATOM 1723 CG TYR A 120 15.228 -21.260 19.195 1.00 43.31 C ATOM 1724 CD1 TYR A 120 15.501 -21.498 20.536 1.00 21.21 C ATOM 1725 CD2 TYR A 120 13.938 -21.495 18.737 1.00 54.20 C ATOM 1726 CE1 TYR A 120 14.520 -21.958 21.394 1.00 45.13 C ATOM 1727 CE2 TYR A 120 12.950 -21.953 19.588 1.00 63.13 C ATOM 1728 CZ TYR A 120 13.247 -22.184 20.915 1.00 52.41 C ATOM 1729 OH TYR A 120 12.267 -22.640 21.766 1.00 32.23 O ATOM 0 H TYR A 120 17.379 -19.636 20.214 1.00 14.50 H new ATOM 0 HA TYR A 120 17.051 -18.916 17.440 1.00 4.02 H new ATOM 0 HB2 TYR A 120 16.040 -21.025 17.237 1.00 61.42 H new ATOM 0 HB3 TYR A 120 17.241 -21.265 18.491 1.00 61.42 H new ATOM 0 HD1 TYR A 120 16.497 -21.321 20.915 1.00 21.21 H new ATOM 0 HD2 TYR A 120 13.703 -21.317 17.698 1.00 54.20 H new ATOM 0 HE1 TYR A 120 14.749 -22.139 22.434 1.00 45.13 H new ATOM 0 HE2 TYR A 120 11.951 -22.129 19.216 1.00 63.13 H new ATOM 0 HH TYR A 120 11.428 -22.746 21.271 1.00 32.23 H new ATOM 1739 N ASN A 121 14.968 -17.789 19.488 1.00 4.34 N ATOM 1740 CA ASN A 121 13.725 -17.049 19.675 1.00 22.43 C ATOM 1741 C ASN A 121 13.771 -16.224 20.958 1.00 74.23 C ATOM 1742 O ASN A 121 13.213 -15.128 21.025 1.00 71.23 O ATOM 1743 CB ASN A 121 12.537 -18.012 19.717 1.00 55.13 C ATOM 1744 CG ASN A 121 12.218 -18.478 21.124 1.00 5.44 C ATOM 1745 OD1 ASN A 121 11.178 -18.133 21.684 1.00 55.20 O ATOM 1746 ND2 ASN A 121 13.117 -19.266 21.704 1.00 52.51 N ATOM 0 H ASN A 121 15.638 -17.688 20.251 1.00 4.34 H new ATOM 0 HA ASN A 121 13.604 -16.369 18.831 1.00 22.43 H new ATOM 0 HB2 ASN A 121 11.661 -17.522 19.292 1.00 55.13 H new ATOM 0 HB3 ASN A 121 12.753 -18.878 19.091 1.00 55.13 H new ATOM 0 HD21 ASN A 121 12.958 -19.610 22.651 1.00 52.51 H new ATOM 0 HD22 ASN A 121 13.966 -19.527 21.202 1.00 52.51 H new ATOM 1753 N THR A 122 14.439 -16.758 21.975 1.00 5.13 N ATOM 1754 CA THR A 122 14.558 -16.072 23.256 1.00 72.22 C ATOM 1755 C THR A 122 15.067 -14.647 23.071 1.00 33.25 C ATOM 1756 O THR A 122 15.875 -14.375 22.183 1.00 1.01 O ATOM 1757 CB THR A 122 15.505 -16.824 24.210 1.00 33.02 C ATOM 1758 OG1 THR A 122 15.008 -18.145 24.454 1.00 53.42 O ATOM 1759 CG2 THR A 122 15.647 -16.079 25.529 1.00 62.11 C ATOM 0 H THR A 122 14.906 -17.664 21.937 1.00 5.13 H new ATOM 0 HA THR A 122 13.560 -16.044 23.694 1.00 72.22 H new ATOM 0 HB THR A 122 16.486 -16.887 23.738 1.00 33.02 H new ATOM 0 HG1 THR A 122 15.638 -18.803 24.094 1.00 53.42 H new ATOM 0 HG21 THR A 122 16.320 -16.629 26.187 1.00 62.11 H new ATOM 0 HG22 THR A 122 16.053 -15.085 25.343 1.00 62.11 H new ATOM 0 HG23 THR A 122 14.670 -15.989 26.003 1.00 62.11 H new ATOM 1767 N THR A 123 14.589 -13.739 23.917 1.00 63.01 N ATOM 1768 CA THR A 123 14.996 -12.341 23.847 1.00 73.21 C ATOM 1769 C THR A 123 16.253 -12.092 24.672 1.00 31.21 C ATOM 1770 O THR A 123 16.302 -11.168 25.484 1.00 51.44 O ATOM 1771 CB THR A 123 13.877 -11.405 24.342 1.00 72.43 C ATOM 1772 OG1 THR A 123 12.597 -11.989 24.076 1.00 75.11 O ATOM 1773 CG2 THR A 123 13.970 -10.046 23.666 1.00 40.23 C ATOM 0 H THR A 123 13.920 -13.947 24.658 1.00 63.01 H new ATOM 0 HA THR A 123 15.204 -12.125 22.799 1.00 73.21 H new ATOM 0 HB THR A 123 13.997 -11.267 25.417 1.00 72.43 H new ATOM 0 HG1 THR A 123 11.891 -11.389 24.395 1.00 75.11 H new ATOM 0 HG21 THR A 123 13.170 -9.402 24.031 1.00 40.23 H new ATOM 0 HG22 THR A 123 14.934 -9.591 23.894 1.00 40.23 H new ATOM 0 HG23 THR A 123 13.873 -10.169 22.587 1.00 40.23 H new ATOM 1781 N PHE A 124 17.269 -12.922 24.459 1.00 33.14 N ATOM 1782 CA PHE A 124 18.527 -12.792 25.184 1.00 3.34 C ATOM 1783 C PHE A 124 19.521 -11.939 24.401 1.00 55.43 C ATOM 1784 O PHE A 124 20.415 -11.320 24.977 1.00 0.25 O ATOM 1785 CB PHE A 124 19.128 -14.172 25.458 1.00 0.02 C ATOM 1786 CG PHE A 124 18.982 -14.617 26.885 1.00 32.13 C ATOM 1787 CD1 PHE A 124 19.416 -13.810 27.924 1.00 13.25 C ATOM 1788 CD2 PHE A 124 18.410 -15.842 27.188 1.00 71.34 C ATOM 1789 CE1 PHE A 124 19.283 -14.217 29.238 1.00 20.44 C ATOM 1790 CE2 PHE A 124 18.274 -16.255 28.500 1.00 62.12 C ATOM 1791 CZ PHE A 124 18.710 -15.441 29.526 1.00 4.15 C ATOM 0 H PHE A 124 17.245 -13.692 23.790 1.00 33.14 H new ATOM 0 HA PHE A 124 18.320 -12.298 26.134 1.00 3.34 H new ATOM 0 HB2 PHE A 124 18.649 -14.904 24.807 1.00 0.02 H new ATOM 0 HB3 PHE A 124 20.186 -14.157 25.197 1.00 0.02 H new ATOM 0 HD1 PHE A 124 19.863 -12.852 27.705 1.00 13.25 H new ATOM 0 HD2 PHE A 124 18.066 -16.482 26.389 1.00 71.34 H new ATOM 0 HE1 PHE A 124 19.627 -13.579 30.039 1.00 20.44 H new ATOM 0 HE2 PHE A 124 17.827 -17.213 28.722 1.00 62.12 H new ATOM 0 HZ PHE A 124 18.603 -15.760 30.552 1.00 4.15 H new ATOM 1801 N PHE A 125 19.357 -11.912 23.082 1.00 13.52 N ATOM 1802 CA PHE A 125 20.239 -11.136 22.218 1.00 60.20 C ATOM 1803 C PHE A 125 19.496 -10.652 20.976 1.00 0.34 C ATOM 1804 O PHE A 125 19.779 -11.065 19.852 1.00 71.12 O ATOM 1805 CB PHE A 125 21.451 -11.975 21.806 1.00 35.22 C ATOM 1806 CG PHE A 125 22.460 -12.150 22.904 1.00 1.35 C ATOM 1807 CD1 PHE A 125 22.980 -11.049 23.567 1.00 35.32 C ATOM 1808 CD2 PHE A 125 22.889 -13.414 23.274 1.00 23.15 C ATOM 1809 CE1 PHE A 125 23.909 -11.207 24.578 1.00 62.34 C ATOM 1810 CE2 PHE A 125 23.818 -13.578 24.285 1.00 65.25 C ATOM 1811 CZ PHE A 125 24.328 -12.473 24.938 1.00 63.24 C ATOM 0 H PHE A 125 18.622 -12.418 22.589 1.00 13.52 H new ATOM 0 HA PHE A 125 20.581 -10.265 22.778 1.00 60.20 H new ATOM 0 HB2 PHE A 125 21.109 -12.957 21.478 1.00 35.22 H new ATOM 0 HB3 PHE A 125 21.935 -11.504 20.950 1.00 35.22 H new ATOM 0 HD1 PHE A 125 22.655 -10.057 23.290 1.00 35.32 H new ATOM 0 HD2 PHE A 125 22.493 -14.282 22.767 1.00 23.15 H new ATOM 0 HE1 PHE A 125 24.307 -10.341 25.086 1.00 62.34 H new ATOM 0 HE2 PHE A 125 24.144 -14.569 24.564 1.00 65.25 H new ATOM 0 HZ PHE A 125 25.053 -12.599 25.729 1.00 63.24 H new ATOM 1821 N PRO A 126 18.521 -9.754 21.184 1.00 44.34 N ATOM 1822 CA PRO A 126 17.717 -9.193 20.094 1.00 41.20 C ATOM 1823 C PRO A 126 18.524 -8.257 19.200 1.00 12.14 C ATOM 1824 O PRO A 126 18.497 -8.375 17.975 1.00 13.31 O ATOM 1825 CB PRO A 126 16.619 -8.418 20.826 1.00 33.14 C ATOM 1826 CG PRO A 126 17.214 -8.076 22.149 1.00 75.42 C ATOM 1827 CD PRO A 126 18.130 -9.216 22.498 1.00 60.44 C ATOM 0 HA PRO A 126 17.339 -9.967 19.426 1.00 41.20 H new ATOM 0 HB2 PRO A 126 16.334 -7.521 20.276 1.00 33.14 H new ATOM 0 HB3 PRO A 126 15.718 -9.021 20.941 1.00 33.14 H new ATOM 0 HG2 PRO A 126 17.763 -7.136 22.099 1.00 75.42 H new ATOM 0 HG3 PRO A 126 16.439 -7.953 22.905 1.00 75.42 H new ATOM 0 HD2 PRO A 126 18.996 -8.876 23.067 1.00 60.44 H new ATOM 0 HD3 PRO A 126 17.624 -9.967 23.105 1.00 60.44 H new ATOM 1835 N LYS A 127 19.242 -7.327 19.821 1.00 71.00 N ATOM 1836 CA LYS A 127 20.059 -6.371 19.083 1.00 75.04 C ATOM 1837 C LYS A 127 21.240 -7.067 18.414 1.00 53.22 C ATOM 1838 O LYS A 127 21.768 -6.588 17.410 1.00 73.01 O ATOM 1839 CB LYS A 127 20.564 -5.271 20.019 1.00 42.03 C ATOM 1840 CG LYS A 127 21.785 -5.674 20.827 1.00 30.25 C ATOM 1841 CD LYS A 127 21.433 -6.695 21.897 1.00 42.22 C ATOM 1842 CE LYS A 127 20.419 -6.140 22.885 1.00 2.52 C ATOM 1843 NZ LYS A 127 20.342 -6.964 24.123 1.00 71.22 N ATOM 0 H LYS A 127 19.275 -7.215 20.834 1.00 71.00 H new ATOM 0 HA LYS A 127 19.438 -5.922 18.308 1.00 75.04 H new ATOM 0 HB2 LYS A 127 20.804 -4.386 19.430 1.00 42.03 H new ATOM 0 HB3 LYS A 127 19.763 -4.991 20.703 1.00 42.03 H new ATOM 0 HG2 LYS A 127 22.542 -6.089 20.162 1.00 30.25 H new ATOM 0 HG3 LYS A 127 22.221 -4.791 21.294 1.00 30.25 H new ATOM 0 HD2 LYS A 127 21.031 -7.592 21.427 1.00 42.22 H new ATOM 0 HD3 LYS A 127 22.337 -6.992 22.429 1.00 42.22 H new ATOM 0 HE2 LYS A 127 20.689 -5.117 23.146 1.00 2.52 H new ATOM 0 HE3 LYS A 127 19.437 -6.100 22.414 1.00 2.52 H new ATOM 0 HZ1 LYS A 127 19.350 -7.048 24.423 1.00 71.22 H new ATOM 0 HZ2 LYS A 127 20.728 -7.911 23.934 1.00 71.22 H new ATOM 0 HZ3 LYS A 127 20.895 -6.509 24.878 1.00 71.22 H new ATOM 1857 N PHE A 128 21.649 -8.199 18.976 1.00 71.44 N ATOM 1858 CA PHE A 128 22.768 -8.961 18.433 1.00 74.40 C ATOM 1859 C PHE A 128 22.278 -10.023 17.453 1.00 32.50 C ATOM 1860 O PHE A 128 23.029 -10.484 16.592 1.00 32.01 O ATOM 1861 CB PHE A 128 23.559 -9.621 19.564 1.00 22.20 C ATOM 1862 CG PHE A 128 24.311 -10.848 19.133 1.00 34.32 C ATOM 1863 CD1 PHE A 128 23.685 -12.084 19.101 1.00 72.04 C ATOM 1864 CD2 PHE A 128 25.643 -10.766 18.760 1.00 15.05 C ATOM 1865 CE1 PHE A 128 24.374 -13.215 18.705 1.00 3.23 C ATOM 1866 CE2 PHE A 128 26.337 -11.893 18.364 1.00 61.31 C ATOM 1867 CZ PHE A 128 25.702 -13.119 18.335 1.00 34.13 C ATOM 0 H PHE A 128 21.223 -8.609 19.807 1.00 71.44 H new ATOM 0 HA PHE A 128 23.420 -8.271 17.898 1.00 74.40 H new ATOM 0 HB2 PHE A 128 24.264 -8.898 19.974 1.00 22.20 H new ATOM 0 HB3 PHE A 128 22.873 -9.888 20.368 1.00 22.20 H new ATOM 0 HD1 PHE A 128 22.647 -12.164 19.389 1.00 72.04 H new ATOM 0 HD2 PHE A 128 26.145 -9.810 18.779 1.00 15.05 H new ATOM 0 HE1 PHE A 128 23.875 -14.173 18.685 1.00 3.23 H new ATOM 0 HE2 PHE A 128 27.375 -11.815 18.077 1.00 61.31 H new ATOM 0 HZ PHE A 128 26.242 -14.001 18.024 1.00 34.13 H new ATOM 1877 N LEU A 129 21.014 -10.408 17.590 1.00 32.44 N ATOM 1878 CA LEU A 129 20.422 -11.417 16.718 1.00 0.11 C ATOM 1879 C LEU A 129 19.103 -10.924 16.132 1.00 11.22 C ATOM 1880 O LEU A 129 18.115 -11.658 16.097 1.00 0.42 O ATOM 1881 CB LEU A 129 20.196 -12.718 17.490 1.00 14.12 C ATOM 1882 CG LEU A 129 20.747 -13.988 16.841 1.00 33.14 C ATOM 1883 CD1 LEU A 129 19.924 -14.363 15.618 1.00 1.05 C ATOM 1884 CD2 LEU A 129 22.210 -13.804 16.466 1.00 11.51 C ATOM 0 H LEU A 129 20.379 -10.037 18.297 1.00 32.44 H new ATOM 0 HA LEU A 129 21.115 -11.605 15.898 1.00 0.11 H new ATOM 0 HB2 LEU A 129 20.646 -12.614 18.477 1.00 14.12 H new ATOM 0 HB3 LEU A 129 19.124 -12.846 17.640 1.00 14.12 H new ATOM 0 HG LEU A 129 20.678 -14.801 17.563 1.00 33.14 H new ATOM 0 HD11 LEU A 129 20.331 -15.269 15.169 1.00 1.05 H new ATOM 0 HD12 LEU A 129 18.890 -14.538 15.915 1.00 1.05 H new ATOM 0 HD13 LEU A 129 19.960 -13.551 14.892 1.00 1.05 H new ATOM 0 HD21 LEU A 129 22.585 -14.718 16.005 1.00 11.51 H new ATOM 0 HD22 LEU A 129 22.304 -12.978 15.761 1.00 11.51 H new ATOM 0 HD23 LEU A 129 22.790 -13.584 17.362 1.00 11.51 H new ATOM 1896 N ARG A 130 19.095 -9.677 15.671 1.00 24.33 N ATOM 1897 CA ARG A 130 17.898 -9.086 15.086 1.00 61.54 C ATOM 1898 C ARG A 130 17.678 -9.599 13.665 1.00 32.24 C ATOM 1899 O ARG A 130 17.691 -8.827 12.706 1.00 33.31 O ATOM 1900 CB ARG A 130 18.008 -7.561 15.077 1.00 44.30 C ATOM 1901 CG ARG A 130 16.664 -6.853 15.114 1.00 51.33 C ATOM 1902 CD ARG A 130 16.106 -6.790 16.527 1.00 74.32 C ATOM 1903 NE ARG A 130 14.866 -6.020 16.592 1.00 25.23 N ATOM 1904 CZ ARG A 130 13.705 -6.455 16.117 1.00 33.55 C ATOM 1905 NH1 ARG A 130 13.624 -7.649 15.546 1.00 72.10 N ATOM 1906 NH2 ARG A 130 12.621 -5.696 16.214 1.00 33.43 N ATOM 0 H ARG A 130 19.905 -9.057 15.692 1.00 24.33 H new ATOM 0 HA ARG A 130 17.044 -9.378 15.697 1.00 61.54 H new ATOM 0 HB2 ARG A 130 18.600 -7.243 15.935 1.00 44.30 H new ATOM 0 HB3 ARG A 130 18.549 -7.250 14.183 1.00 44.30 H new ATOM 0 HG2 ARG A 130 16.773 -5.843 14.719 1.00 51.33 H new ATOM 0 HG3 ARG A 130 15.959 -7.374 14.466 1.00 51.33 H new ATOM 0 HD2 ARG A 130 15.924 -7.801 16.890 1.00 74.32 H new ATOM 0 HD3 ARG A 130 16.846 -6.342 17.189 1.00 74.32 H new ATOM 0 HE ARG A 130 14.894 -5.097 17.026 1.00 25.23 H new ATOM 0 HH11 ARG A 130 14.455 -8.236 15.471 1.00 72.10 H new ATOM 0 HH12 ARG A 130 12.731 -7.981 15.182 1.00 72.10 H new ATOM 0 HH21 ARG A 130 12.679 -4.778 16.654 1.00 33.43 H new ATOM 0 HH22 ARG A 130 11.729 -6.031 15.849 1.00 33.43 H new ATOM 1920 N CYS A 131 17.476 -10.907 13.539 1.00 42.54 N ATOM 1921 CA CYS A 131 17.254 -11.524 12.237 1.00 41.34 C ATOM 1922 C CYS A 131 16.112 -12.534 12.301 1.00 12.42 C ATOM 1923 O CYS A 131 15.828 -13.099 13.356 1.00 5.24 O ATOM 1924 CB CYS A 131 18.531 -12.212 11.751 1.00 61.04 C ATOM 1925 SG CYS A 131 18.723 -13.925 12.339 1.00 34.25 S ATOM 0 H CYS A 131 17.462 -11.559 14.323 1.00 42.54 H new ATOM 0 HA CYS A 131 16.982 -10.738 11.532 1.00 41.34 H new ATOM 0 HB2 CYS A 131 18.539 -12.210 10.661 1.00 61.04 H new ATOM 0 HB3 CYS A 131 19.392 -11.629 12.077 1.00 61.04 H new ATOM 1930 N ASN A 132 15.460 -12.755 11.164 1.00 0.22 N ATOM 1931 CA ASN A 132 14.348 -13.696 11.091 1.00 24.11 C ATOM 1932 C ASN A 132 14.747 -15.054 11.661 1.00 63.15 C ATOM 1933 O ASN A 132 15.615 -15.735 11.116 1.00 61.43 O ATOM 1934 CB ASN A 132 13.882 -13.855 9.643 1.00 52.13 C ATOM 1935 CG ASN A 132 15.040 -13.906 8.665 1.00 74.04 C ATOM 1936 OD1 ASN A 132 15.819 -14.859 8.657 1.00 0.14 O ATOM 1937 ND2 ASN A 132 15.157 -12.877 7.833 1.00 61.52 N ATOM 0 H ASN A 132 15.682 -12.295 10.281 1.00 0.22 H new ATOM 0 HA ASN A 132 13.527 -13.298 11.688 1.00 24.11 H new ATOM 0 HB2 ASN A 132 13.293 -14.767 9.552 1.00 52.13 H new ATOM 0 HB3 ASN A 132 13.226 -13.025 9.382 1.00 52.13 H new ATOM 0 HD21 ASN A 132 15.916 -12.856 7.152 1.00 61.52 H new ATOM 0 HD22 ASN A 132 14.488 -12.108 7.875 1.00 61.52 H new ATOM 1944 N GLU A 133 14.107 -15.440 12.759 1.00 34.44 N ATOM 1945 CA GLU A 133 14.395 -16.717 13.402 1.00 22.02 C ATOM 1946 C GLU A 133 13.133 -17.567 13.515 1.00 71.11 C ATOM 1947 O GLU A 133 13.023 -18.623 12.891 1.00 25.42 O ATOM 1948 CB GLU A 133 14.996 -16.490 14.791 1.00 12.31 C ATOM 1949 CG GLU A 133 16.037 -17.526 15.181 1.00 13.41 C ATOM 1950 CD GLU A 133 17.426 -17.171 14.688 1.00 70.14 C ATOM 1951 OE1 GLU A 133 17.667 -15.979 14.403 1.00 65.32 O ATOM 1952 OE2 GLU A 133 18.271 -18.085 14.586 1.00 41.41 O ATOM 0 H GLU A 133 13.386 -14.887 13.222 1.00 34.44 H new ATOM 0 HA GLU A 133 15.117 -17.250 12.784 1.00 22.02 H new ATOM 0 HB2 GLU A 133 15.451 -15.500 14.823 1.00 12.31 H new ATOM 0 HB3 GLU A 133 14.195 -16.497 15.530 1.00 12.31 H new ATOM 0 HG2 GLU A 133 16.055 -17.627 16.266 1.00 13.41 H new ATOM 0 HG3 GLU A 133 15.749 -18.496 14.776 1.00 13.41 H new ATOM 1959 N THR A 134 12.181 -17.099 14.316 1.00 54.01 N ATOM 1960 CA THR A 134 10.927 -17.815 14.513 1.00 71.44 C ATOM 1961 C THR A 134 10.081 -17.802 13.244 1.00 22.44 C ATOM 1962 O THR A 134 9.208 -18.651 13.059 1.00 31.24 O ATOM 1963 CB THR A 134 10.108 -17.209 15.668 1.00 44.30 C ATOM 1964 OG1 THR A 134 10.301 -15.790 15.713 1.00 61.52 O ATOM 1965 CG2 THR A 134 10.514 -17.823 16.999 1.00 31.03 C ATOM 0 H THR A 134 12.255 -16.226 14.839 1.00 54.01 H new ATOM 0 HA THR A 134 11.187 -18.844 14.763 1.00 71.44 H new ATOM 0 HB THR A 134 9.055 -17.427 15.491 1.00 44.30 H new ATOM 0 HG1 THR A 134 9.776 -15.412 16.449 1.00 61.52 H new ATOM 0 HG21 THR A 134 9.922 -17.380 17.800 1.00 31.03 H new ATOM 0 HG22 THR A 134 10.340 -18.899 16.972 1.00 31.03 H new ATOM 0 HG23 THR A 134 11.572 -17.631 17.181 1.00 31.03 H new ATOM 1973 N LEU A 135 10.346 -16.836 12.373 1.00 54.53 N ATOM 1974 CA LEU A 135 9.609 -16.713 11.120 1.00 53.53 C ATOM 1975 C LEU A 135 9.843 -17.928 10.229 1.00 74.42 C ATOM 1976 O LEU A 135 10.396 -18.936 10.669 1.00 71.41 O ATOM 1977 CB LEU A 135 10.026 -15.438 10.383 1.00 73.41 C ATOM 1978 CG LEU A 135 10.188 -14.187 11.246 1.00 42.30 C ATOM 1979 CD1 LEU A 135 10.546 -12.986 10.383 1.00 33.34 C ATOM 1980 CD2 LEU A 135 8.918 -13.917 12.039 1.00 54.34 C ATOM 0 H LEU A 135 11.065 -16.126 12.511 1.00 54.53 H new ATOM 0 HA LEU A 135 8.546 -16.658 11.356 1.00 53.53 H new ATOM 0 HB2 LEU A 135 10.971 -15.629 9.874 1.00 73.41 H new ATOM 0 HB3 LEU A 135 9.285 -15.229 9.611 1.00 73.41 H new ATOM 0 HG LEU A 135 11.002 -14.358 11.950 1.00 42.30 H new ATOM 0 HD11 LEU A 135 10.657 -12.105 11.014 1.00 33.34 H new ATOM 0 HD12 LEU A 135 11.483 -13.179 9.861 1.00 33.34 H new ATOM 0 HD13 LEU A 135 9.754 -12.813 9.654 1.00 33.34 H new ATOM 0 HD21 LEU A 135 9.052 -13.023 12.647 1.00 54.34 H new ATOM 0 HD22 LEU A 135 8.085 -13.767 11.352 1.00 54.34 H new ATOM 0 HD23 LEU A 135 8.706 -14.768 12.686 1.00 54.34 H new ATOM 1992 N PHE A 136 9.419 -17.826 8.973 1.00 3.33 N ATOM 1993 CA PHE A 136 9.584 -18.916 8.019 1.00 33.45 C ATOM 1994 C PHE A 136 10.555 -18.526 6.909 1.00 32.20 C ATOM 1995 O PHE A 136 10.163 -18.261 5.772 1.00 24.32 O ATOM 1996 CB PHE A 136 8.231 -19.304 7.417 1.00 5.42 C ATOM 1997 CG PHE A 136 7.485 -20.324 8.227 1.00 33.51 C ATOM 1998 CD1 PHE A 136 7.334 -20.167 9.596 1.00 62.35 C ATOM 1999 CD2 PHE A 136 6.933 -21.441 7.620 1.00 13.01 C ATOM 2000 CE1 PHE A 136 6.648 -21.106 10.343 1.00 2.21 C ATOM 2001 CE2 PHE A 136 6.245 -22.383 8.363 1.00 42.45 C ATOM 2002 CZ PHE A 136 6.102 -22.214 9.726 1.00 60.12 C ATOM 0 H PHE A 136 8.959 -16.999 8.593 1.00 3.33 H new ATOM 0 HA PHE A 136 9.996 -19.773 8.552 1.00 33.45 H new ATOM 0 HB2 PHE A 136 7.616 -18.409 7.319 1.00 5.42 H new ATOM 0 HB3 PHE A 136 8.388 -19.695 6.412 1.00 5.42 H new ATOM 0 HD1 PHE A 136 7.757 -19.301 10.084 1.00 62.35 H new ATOM 0 HD2 PHE A 136 7.041 -21.577 6.554 1.00 13.01 H new ATOM 0 HE1 PHE A 136 6.539 -20.973 11.409 1.00 2.21 H new ATOM 0 HE2 PHE A 136 5.820 -23.249 7.878 1.00 42.45 H new ATOM 0 HZ PHE A 136 5.564 -22.947 10.308 1.00 60.12 H new ATOM 2012 N PRO A 137 11.853 -18.489 7.245 1.00 52.01 N ATOM 2013 CA PRO A 137 12.907 -18.132 6.291 1.00 24.32 C ATOM 2014 C PRO A 137 13.113 -19.204 5.226 1.00 32.34 C ATOM 2015 O PRO A 137 13.155 -18.908 4.032 1.00 62.12 O ATOM 2016 CB PRO A 137 14.154 -18.007 7.171 1.00 14.21 C ATOM 2017 CG PRO A 137 13.874 -18.874 8.349 1.00 24.44 C ATOM 2018 CD PRO A 137 12.391 -18.793 8.582 1.00 50.25 C ATOM 0 HA PRO A 137 12.665 -17.224 5.738 1.00 24.32 H new ATOM 0 HB2 PRO A 137 15.048 -18.336 6.641 1.00 14.21 H new ATOM 0 HB3 PRO A 137 14.324 -16.973 7.472 1.00 14.21 H new ATOM 0 HG2 PRO A 137 14.183 -19.902 8.159 1.00 24.44 H new ATOM 0 HG3 PRO A 137 14.426 -18.532 9.225 1.00 24.44 H new ATOM 0 HD2 PRO A 137 11.993 -19.730 8.972 1.00 50.25 H new ATOM 0 HD3 PRO A 137 12.139 -18.015 9.303 1.00 50.25 H new