USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 545 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 18 CYS SG : rot 180:sc= 0.474 USER MOD Set 1.2: A 19 HIS :FLIP no HE2:sc= 0.103 F(o=-0.69,f=0.58) USER MOD Single : A 9 LYS NZ :NH3+ 155:sc= 1.22 (180deg=0.33!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 145:sc= -0.636 (180deg=-1.34) USER MOD Single : A 27 SER OG : rot 71:sc= 1.23 USER MOD Single : A 32 GLN :FLIP amide:sc= -1.03 F(o=-1.7,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= -0.0401 (180deg=-0.279) USER MOD Single : A 35 SER OG : rot -127:sc= 0.858 USER MOD Single : A 43 ASN : amide:sc= 1.09 K(o=1.1,f=-0.031) USER MOD Single : A 47 ASN : amide:sc= -0.0808 K(o=-0.081,f=-1) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot -27:sc= 0.291 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= -0.102 (180deg=-0.53) USER MOD Single : A 71 CYS SG : rot -94:sc= 1.04 USER MOD Single : A 72 HIS : no HD1:sc= -1.31! C(o=-1.3!,f=-5.6!) USER MOD Single : A 73 TYR OH : rot 30:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -179:sc= -1.13 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 6 3.463 16.725 4.863 1.00 5.44 N ATOM 73 CA GLU A 6 4.511 15.893 4.306 1.00 11.12 C ATOM 74 C GLU A 6 3.890 14.833 3.398 1.00 12.24 C ATOM 75 O GLU A 6 2.685 14.588 3.469 1.00 2.45 O ATOM 76 CB GLU A 6 5.302 15.234 5.440 1.00 13.21 C ATOM 77 CG GLU A 6 4.516 14.173 6.192 1.00 2.33 C ATOM 78 CD GLU A 6 5.302 13.559 7.332 1.00 2.31 C ATOM 79 OE1 GLU A 6 6.167 12.697 7.068 1.00 72.44 O ATOM 80 OE2 GLU A 6 5.053 13.928 8.498 1.00 44.43 O ATOM 0 HA GLU A 6 5.193 16.505 3.716 1.00 11.12 H new ATOM 0 HB2 GLU A 6 6.204 14.782 5.028 1.00 13.21 H new ATOM 0 HB3 GLU A 6 5.623 16.003 6.143 1.00 13.21 H new ATOM 0 HG2 GLU A 6 3.601 14.616 6.585 1.00 2.33 H new ATOM 0 HG3 GLU A 6 4.218 13.388 5.498 1.00 2.33 H new ATOM 85 N PRO A 7 4.691 14.197 2.530 1.00 63.30 N ATOM 86 CA PRO A 7 4.199 13.138 1.651 1.00 32.42 C ATOM 87 C PRO A 7 3.866 11.873 2.434 1.00 13.11 C ATOM 88 O PRO A 7 4.296 11.702 3.577 1.00 14.34 O ATOM 89 CB PRO A 7 5.372 12.894 0.699 1.00 34.04 C ATOM 90 CG PRO A 7 6.568 13.283 1.489 1.00 41.31 C ATOM 91 CD PRO A 7 6.131 14.444 2.338 1.00 41.44 C ATOM 0 HA PRO A 7 3.278 13.414 1.138 1.00 32.42 H new ATOM 0 HB2 PRO A 7 5.422 11.851 0.388 1.00 34.04 H new ATOM 0 HB3 PRO A 7 5.281 13.493 -0.207 1.00 34.04 H new ATOM 0 HG2 PRO A 7 6.916 12.455 2.106 1.00 41.31 H new ATOM 0 HG3 PRO A 7 7.395 13.564 0.836 1.00 41.31 H new ATOM 0 HD2 PRO A 7 6.665 14.472 3.288 1.00 41.44 H new ATOM 0 HD3 PRO A 7 6.313 15.397 1.842 1.00 41.44 H new ATOM 96 N ARG A 8 3.103 10.991 1.823 1.00 33.13 N ATOM 97 CA ARG A 8 2.704 9.766 2.485 1.00 70.00 C ATOM 98 C ARG A 8 3.549 8.599 1.999 1.00 14.22 C ATOM 99 O ARG A 8 4.360 8.748 1.086 1.00 62.11 O ATOM 100 CB ARG A 8 1.217 9.492 2.236 1.00 60.20 C ATOM 101 CG ARG A 8 0.293 10.505 2.897 1.00 24.41 C ATOM 102 CD ARG A 8 0.309 10.356 4.409 1.00 44.43 C ATOM 103 NE ARG A 8 -0.374 11.458 5.085 1.00 63.14 N ATOM 104 CZ ARG A 8 -0.251 11.720 6.387 1.00 75.23 C ATOM 105 NH1 ARG A 8 0.469 10.918 7.167 1.00 65.04 N ATOM 106 NH2 ARG A 8 -0.865 12.770 6.915 1.00 62.13 N ATOM 0 H ARG A 8 2.748 11.098 0.873 1.00 33.13 H new ATOM 0 HA ARG A 8 2.863 9.881 3.557 1.00 70.00 H new ATOM 0 HB2 ARG A 8 1.031 9.490 1.162 1.00 60.20 H new ATOM 0 HB3 ARG A 8 0.973 8.495 2.604 1.00 60.20 H new ATOM 0 HG2 ARG A 8 0.601 11.514 2.625 1.00 24.41 H new ATOM 0 HG3 ARG A 8 -0.723 10.371 2.526 1.00 24.41 H new ATOM 0 HD2 ARG A 8 -0.166 9.414 4.684 1.00 44.43 H new ATOM 0 HD3 ARG A 8 1.341 10.305 4.755 1.00 44.43 H new ATOM 0 HE ARG A 8 -0.980 12.061 4.529 1.00 63.14 H new ATOM 0 HH11 ARG A 8 0.930 10.099 6.770 1.00 65.04 H new ATOM 0 HH12 ARG A 8 0.561 11.122 8.162 1.00 65.04 H new ATOM 0 HH21 ARG A 8 -1.432 13.379 6.325 1.00 62.13 H new ATOM 0 HH22 ARG A 8 -0.770 12.969 7.911 1.00 62.13 H new ATOM 117 N LYS A 9 3.371 7.452 2.632 1.00 11.03 N ATOM 118 CA LYS A 9 4.015 6.226 2.192 1.00 53.13 C ATOM 119 C LYS A 9 3.018 5.086 2.203 1.00 52.55 C ATOM 120 O LYS A 9 2.353 4.838 3.210 1.00 74.41 O ATOM 121 CB LYS A 9 5.208 5.854 3.076 1.00 4.13 C ATOM 122 CG LYS A 9 6.556 6.309 2.549 1.00 42.35 C ATOM 123 CD LYS A 9 7.698 5.618 3.283 1.00 41.53 C ATOM 124 CE LYS A 9 7.674 4.108 3.060 1.00 13.02 C ATOM 125 NZ LYS A 9 8.694 3.402 3.883 1.00 40.33 N ATOM 0 H LYS A 9 2.782 7.344 3.458 1.00 11.03 H new ATOM 0 HA LYS A 9 4.382 6.399 1.180 1.00 53.13 H new ATOM 0 HB2 LYS A 9 5.057 6.284 4.066 1.00 4.13 H new ATOM 0 HB3 LYS A 9 5.228 4.771 3.198 1.00 4.13 H new ATOM 0 HG2 LYS A 9 6.623 6.094 1.482 1.00 42.35 H new ATOM 0 HG3 LYS A 9 6.648 7.389 2.663 1.00 42.35 H new ATOM 0 HD2 LYS A 9 8.650 6.022 2.940 1.00 41.53 H new ATOM 0 HD3 LYS A 9 7.628 5.830 4.350 1.00 41.53 H new ATOM 0 HE2 LYS A 9 6.684 3.722 3.302 1.00 13.02 H new ATOM 0 HE3 LYS A 9 7.850 3.895 2.005 1.00 13.02 H new ATOM 0 HZ1 LYS A 9 8.393 2.419 4.041 1.00 40.33 H new ATOM 0 HZ2 LYS A 9 9.607 3.409 3.385 1.00 40.33 H new ATOM 0 HZ3 LYS A 9 8.796 3.884 4.799 1.00 40.33 H new ATOM 135 N LEU A 10 2.905 4.412 1.080 1.00 11.22 N ATOM 136 CA LEU A 10 2.093 3.216 0.991 1.00 1.13 C ATOM 137 C LEU A 10 2.976 1.988 0.867 1.00 71.11 C ATOM 138 O LEU A 10 3.783 1.875 -0.058 1.00 2.30 O ATOM 139 CB LEU A 10 1.126 3.297 -0.189 1.00 75.25 C ATOM 140 CG LEU A 10 -0.106 4.168 0.053 1.00 21.21 C ATOM 141 CD1 LEU A 10 -0.934 4.285 -1.213 1.00 1.21 C ATOM 142 CD2 LEU A 10 -0.943 3.588 1.181 1.00 3.11 C ATOM 0 H LEU A 10 3.368 4.673 0.210 1.00 11.22 H new ATOM 0 HA LEU A 10 1.505 3.136 1.905 1.00 1.13 H new ATOM 0 HB2 LEU A 10 1.663 3.684 -1.055 1.00 75.25 H new ATOM 0 HB3 LEU A 10 0.797 2.289 -0.442 1.00 75.25 H new ATOM 0 HG LEU A 10 0.225 5.166 0.339 1.00 21.21 H new ATOM 0 HD11 LEU A 10 -1.807 4.909 -1.021 1.00 1.21 H new ATOM 0 HD12 LEU A 10 -0.332 4.737 -2.001 1.00 1.21 H new ATOM 0 HD13 LEU A 10 -1.259 3.293 -1.528 1.00 1.21 H new ATOM 0 HD21 LEU A 10 -1.818 4.217 1.345 1.00 3.11 H new ATOM 0 HD22 LEU A 10 -1.264 2.581 0.915 1.00 3.11 H new ATOM 0 HD23 LEU A 10 -0.348 3.550 2.093 1.00 3.11 H new ATOM 153 N VAL A 11 2.834 1.083 1.815 1.00 63.10 N ATOM 154 CA VAL A 11 3.554 -0.169 1.772 1.00 4.32 C ATOM 155 C VAL A 11 2.631 -1.267 1.305 1.00 21.01 C ATOM 156 O VAL A 11 1.544 -1.449 1.852 1.00 31.11 O ATOM 157 CB VAL A 11 4.138 -0.570 3.143 1.00 73.43 C ATOM 158 CG1 VAL A 11 4.723 -1.977 3.081 1.00 15.41 C ATOM 159 CG2 VAL A 11 5.195 0.424 3.592 1.00 23.13 C ATOM 0 H VAL A 11 2.224 1.194 2.625 1.00 63.10 H new ATOM 0 HA VAL A 11 4.385 -0.031 1.081 1.00 4.32 H new ATOM 0 HB VAL A 11 3.329 -0.560 3.874 1.00 73.43 H new ATOM 0 HG11 VAL A 11 5.131 -2.245 4.056 1.00 15.41 H new ATOM 0 HG12 VAL A 11 3.940 -2.685 2.808 1.00 15.41 H new ATOM 0 HG13 VAL A 11 5.517 -2.008 2.335 1.00 15.41 H new ATOM 0 HG21 VAL A 11 5.592 0.120 4.561 1.00 23.13 H new ATOM 0 HG22 VAL A 11 6.003 0.451 2.861 1.00 23.13 H new ATOM 0 HG23 VAL A 11 4.750 1.415 3.677 1.00 23.13 H new ATOM 169 N VAL A 12 3.054 -1.984 0.289 1.00 52.13 N ATOM 170 CA VAL A 12 2.307 -3.123 -0.173 1.00 44.32 C ATOM 171 C VAL A 12 2.886 -4.384 0.445 1.00 64.33 C ATOM 172 O VAL A 12 3.980 -4.827 0.078 1.00 11.14 O ATOM 173 CB VAL A 12 2.332 -3.251 -1.708 1.00 23.20 C ATOM 174 CG1 VAL A 12 1.514 -4.452 -2.151 1.00 22.24 C ATOM 175 CG2 VAL A 12 1.828 -1.979 -2.371 1.00 22.35 C ATOM 0 H VAL A 12 3.911 -1.796 -0.231 1.00 52.13 H new ATOM 0 HA VAL A 12 1.269 -2.986 0.131 1.00 44.32 H new ATOM 0 HB VAL A 12 3.365 -3.402 -2.021 1.00 23.20 H new ATOM 0 HG11 VAL A 12 1.541 -4.530 -3.238 1.00 22.24 H new ATOM 0 HG12 VAL A 12 1.931 -5.358 -1.712 1.00 22.24 H new ATOM 0 HG13 VAL A 12 0.482 -4.331 -1.821 1.00 22.24 H new ATOM 0 HG21 VAL A 12 1.857 -2.097 -3.454 1.00 22.35 H new ATOM 0 HG22 VAL A 12 0.803 -1.785 -2.054 1.00 22.35 H new ATOM 0 HG23 VAL A 12 2.462 -1.141 -2.081 1.00 22.35 H new ATOM 185 N TYR A 13 2.172 -4.937 1.409 1.00 31.05 N ATOM 186 CA TYR A 13 2.563 -6.202 1.996 1.00 1.12 C ATOM 187 C TYR A 13 2.062 -7.335 1.122 1.00 55.35 C ATOM 188 O TYR A 13 0.868 -7.624 1.077 1.00 64.55 O ATOM 189 CB TYR A 13 2.040 -6.343 3.428 1.00 64.35 C ATOM 190 CG TYR A 13 2.838 -5.548 4.436 1.00 72.41 C ATOM 191 CD1 TYR A 13 4.185 -5.817 4.640 1.00 14.22 C ATOM 192 CD2 TYR A 13 2.248 -4.539 5.187 1.00 54.45 C ATOM 193 CE1 TYR A 13 4.924 -5.101 5.561 1.00 74.21 C ATOM 194 CE2 TYR A 13 2.982 -3.817 6.111 1.00 11.12 C ATOM 195 CZ TYR A 13 4.320 -4.102 6.294 1.00 62.25 C ATOM 196 OH TYR A 13 5.057 -3.386 7.214 1.00 2.43 O ATOM 0 H TYR A 13 1.322 -4.531 1.799 1.00 31.05 H new ATOM 0 HA TYR A 13 3.651 -6.241 2.050 1.00 1.12 H new ATOM 0 HB2 TYR A 13 1.000 -6.019 3.461 1.00 64.35 H new ATOM 0 HB3 TYR A 13 2.055 -7.395 3.711 1.00 64.35 H new ATOM 0 HD1 TYR A 13 4.663 -6.599 4.069 1.00 14.22 H new ATOM 0 HD2 TYR A 13 1.201 -4.315 5.047 1.00 54.45 H new ATOM 0 HE1 TYR A 13 5.971 -5.323 5.706 1.00 74.21 H new ATOM 0 HE2 TYR A 13 2.510 -3.034 6.686 1.00 11.12 H new ATOM 0 HH TYR A 13 4.483 -2.719 7.645 1.00 2.43 H new ATOM 205 N GLY A 14 2.978 -7.939 0.395 1.00 60.33 N ATOM 206 CA GLY A 14 2.612 -8.987 -0.520 1.00 50.52 C ATOM 207 C GLY A 14 3.399 -10.244 -0.262 1.00 1.13 C ATOM 208 O GLY A 14 4.071 -10.364 0.759 1.00 51.13 O ATOM 0 H GLY A 14 3.974 -7.721 0.423 1.00 60.33 H new ATOM 0 HA2 GLY A 14 1.547 -9.198 -0.426 1.00 50.52 H new ATOM 0 HA3 GLY A 14 2.782 -8.654 -1.544 1.00 50.52 H new ATOM 212 N ARG A 15 3.314 -11.172 -1.189 1.00 44.22 N ATOM 213 CA ARG A 15 4.008 -12.439 -1.084 1.00 61.34 C ATOM 214 C ARG A 15 3.908 -13.164 -2.410 1.00 74.42 C ATOM 215 O ARG A 15 3.677 -12.538 -3.446 1.00 74.41 O ATOM 216 CB ARG A 15 3.412 -13.315 0.033 1.00 32.43 C ATOM 217 CG ARG A 15 1.941 -13.649 -0.162 1.00 43.54 C ATOM 218 CD ARG A 15 1.466 -14.723 0.806 1.00 62.31 C ATOM 219 NE ARG A 15 1.967 -16.055 0.449 1.00 41.32 N ATOM 220 CZ ARG A 15 1.189 -17.135 0.337 1.00 20.41 C ATOM 221 NH1 ARG A 15 -0.116 -17.045 0.582 1.00 73.13 N ATOM 222 NH2 ARG A 15 1.711 -18.306 -0.005 1.00 73.44 N ATOM 0 H ARG A 15 2.761 -11.070 -2.040 1.00 44.22 H new ATOM 0 HA ARG A 15 5.051 -12.245 -0.835 1.00 61.34 H new ATOM 0 HB2 ARG A 15 3.980 -14.243 0.095 1.00 32.43 H new ATOM 0 HB3 ARG A 15 3.534 -12.802 0.987 1.00 32.43 H new ATOM 0 HG2 ARG A 15 1.344 -12.748 -0.025 1.00 43.54 H new ATOM 0 HG3 ARG A 15 1.779 -13.986 -1.186 1.00 43.54 H new ATOM 0 HD2 ARG A 15 1.795 -14.472 1.814 1.00 62.31 H new ATOM 0 HD3 ARG A 15 0.376 -14.739 0.821 1.00 62.31 H new ATOM 0 HE ARG A 15 2.967 -16.162 0.276 1.00 41.32 H new ATOM 0 HH11 ARG A 15 -0.523 -16.151 0.856 1.00 73.13 H new ATOM 0 HH12 ARG A 15 -0.709 -17.870 0.496 1.00 73.13 H new ATOM 0 HH21 ARG A 15 2.712 -18.385 -0.184 1.00 73.44 H new ATOM 0 HH22 ARG A 15 1.111 -19.127 -0.089 1.00 73.44 H new ATOM 233 N GLU A 16 4.098 -14.467 -2.359 1.00 22.32 N ATOM 234 CA GLU A 16 3.862 -15.340 -3.500 1.00 51.00 C ATOM 235 C GLU A 16 2.469 -15.067 -4.064 1.00 62.00 C ATOM 236 O GLU A 16 1.464 -15.392 -3.428 1.00 5.41 O ATOM 237 CB GLU A 16 3.955 -16.801 -3.055 1.00 14.35 C ATOM 238 CG GLU A 16 5.147 -17.104 -2.157 1.00 40.10 C ATOM 239 CD GLU A 16 5.046 -18.471 -1.522 1.00 73.21 C ATOM 240 OE1 GLU A 16 4.314 -18.602 -0.520 1.00 13.30 O ATOM 241 OE2 GLU A 16 5.687 -19.416 -2.019 1.00 52.32 O ATOM 0 H GLU A 16 4.421 -14.956 -1.524 1.00 22.32 H new ATOM 0 HA GLU A 16 4.612 -15.148 -4.267 1.00 51.00 H new ATOM 0 HB2 GLU A 16 3.039 -17.068 -2.527 1.00 14.35 H new ATOM 0 HB3 GLU A 16 4.010 -17.436 -3.939 1.00 14.35 H new ATOM 0 HG2 GLU A 16 6.065 -17.043 -2.741 1.00 40.10 H new ATOM 0 HG3 GLU A 16 5.215 -16.346 -1.377 1.00 40.10 H new ATOM 246 N GLY A 17 2.409 -14.455 -5.235 1.00 12.51 N ATOM 247 CA GLY A 17 1.129 -14.083 -5.800 1.00 4.24 C ATOM 248 C GLY A 17 1.167 -13.960 -7.305 1.00 45.00 C ATOM 249 O GLY A 17 2.156 -14.320 -7.940 1.00 43.21 O ATOM 0 H GLY A 17 3.220 -14.210 -5.803 1.00 12.51 H new ATOM 0 HA2 GLY A 17 0.383 -14.827 -5.520 1.00 4.24 H new ATOM 0 HA3 GLY A 17 0.809 -13.134 -5.370 1.00 4.24 H new ATOM 253 N CYS A 18 0.088 -13.439 -7.871 1.00 73.42 N ATOM 254 CA CYS A 18 -0.045 -13.340 -9.314 1.00 71.05 C ATOM 255 C CYS A 18 -0.188 -11.873 -9.739 1.00 42.21 C ATOM 256 O CYS A 18 0.243 -10.967 -9.021 1.00 3.22 O ATOM 257 CB CYS A 18 -1.250 -14.171 -9.766 1.00 60.45 C ATOM 258 SG CYS A 18 -1.332 -14.482 -11.546 1.00 54.52 S ATOM 0 H CYS A 18 -0.710 -13.077 -7.349 1.00 73.42 H new ATOM 0 HA CYS A 18 0.852 -13.733 -9.793 1.00 71.05 H new ATOM 0 HB2 CYS A 18 -1.230 -15.128 -9.245 1.00 60.45 H new ATOM 0 HB3 CYS A 18 -2.162 -13.660 -9.458 1.00 60.45 H new ATOM 0 HG CYS A 18 -2.387 -15.193 -11.814 1.00 54.52 H new ATOM 263 N HIS A 19 -0.812 -11.652 -10.897 1.00 61.53 N ATOM 264 CA HIS A 19 -0.859 -10.335 -11.538 1.00 10.32 C ATOM 265 C HIS A 19 -1.368 -9.215 -10.624 1.00 52.12 C ATOM 266 O HIS A 19 -0.903 -8.086 -10.742 1.00 71.54 O ATOM 267 CB HIS A 19 -1.689 -10.380 -12.836 1.00 2.12 C ATOM 268 CG HIS A 19 -3.070 -10.966 -12.695 1.00 31.42 C ATOM 269 ND1 HIS A 19 -4.165 -10.530 -12.028 1.00 22.30 N flip ATOM 270 CD2 HIS A 19 -3.453 -12.134 -13.319 1.00 15.25 C flip ATOM 271 CE1 HIS A 19 -5.170 -11.433 -12.253 1.00 14.43 C flip ATOM 272 NE2 HIS A 19 -4.718 -12.390 -13.034 1.00 13.11 N flip ATOM 0 H HIS A 19 -1.300 -12.381 -11.418 1.00 61.53 H new ATOM 0 HA HIS A 19 0.177 -10.092 -11.775 1.00 10.32 H new ATOM 0 HB2 HIS A 19 -1.780 -9.366 -13.225 1.00 2.12 H new ATOM 0 HB3 HIS A 19 -1.140 -10.959 -13.579 1.00 2.12 H new ATOM 0 HD1 HIS A 19 -4.230 -9.684 -11.462 1.00 22.30 H new ATOM 0 HD2 HIS A 19 -2.818 -12.745 -13.944 1.00 15.25 H new ATOM 0 HE1 HIS A 19 -6.171 -11.370 -11.854 1.00 14.43 H new ATOM 279 N LEU A 20 -2.292 -9.509 -9.707 1.00 30.30 N ATOM 280 CA LEU A 20 -2.877 -8.458 -8.864 1.00 43.32 C ATOM 281 C LEU A 20 -1.814 -7.688 -8.091 1.00 41.02 C ATOM 282 O LEU A 20 -1.933 -6.479 -7.895 1.00 55.42 O ATOM 283 CB LEU A 20 -3.908 -9.028 -7.887 1.00 14.44 C ATOM 284 CG LEU A 20 -5.257 -9.396 -8.504 1.00 51.45 C ATOM 285 CD1 LEU A 20 -6.266 -9.708 -7.409 1.00 61.35 C ATOM 286 CD2 LEU A 20 -5.759 -8.267 -9.399 1.00 62.41 C ATOM 0 H LEU A 20 -2.648 -10.448 -9.529 1.00 30.30 H new ATOM 0 HA LEU A 20 -3.378 -7.767 -9.542 1.00 43.32 H new ATOM 0 HB2 LEU A 20 -3.487 -9.917 -7.418 1.00 14.44 H new ATOM 0 HB3 LEU A 20 -4.076 -8.298 -7.095 1.00 14.44 H new ATOM 0 HG LEU A 20 -5.131 -10.286 -9.120 1.00 51.45 H new ATOM 0 HD11 LEU A 20 -7.223 -9.969 -7.860 1.00 61.35 H new ATOM 0 HD12 LEU A 20 -5.907 -10.545 -6.811 1.00 61.35 H new ATOM 0 HD13 LEU A 20 -6.392 -8.834 -6.770 1.00 61.35 H new ATOM 0 HD21 LEU A 20 -6.721 -8.545 -9.831 1.00 62.41 H new ATOM 0 HD22 LEU A 20 -5.876 -7.359 -8.808 1.00 62.41 H new ATOM 0 HD23 LEU A 20 -5.040 -8.090 -10.199 1.00 62.41 H new ATOM 297 N CYS A 21 -0.762 -8.382 -7.684 1.00 10.12 N ATOM 298 CA CYS A 21 0.295 -7.762 -6.902 1.00 2.12 C ATOM 299 C CYS A 21 0.992 -6.674 -7.716 1.00 72.22 C ATOM 300 O CYS A 21 1.237 -5.576 -7.218 1.00 51.13 O ATOM 301 CB CYS A 21 1.306 -8.818 -6.443 1.00 44.34 C ATOM 302 SG CYS A 21 2.538 -8.208 -5.271 1.00 61.35 S ATOM 0 H CYS A 21 -0.618 -9.372 -7.882 1.00 10.12 H new ATOM 0 HA CYS A 21 -0.150 -7.301 -6.020 1.00 2.12 H new ATOM 0 HB2 CYS A 21 0.766 -9.647 -5.986 1.00 44.34 H new ATOM 0 HB3 CYS A 21 1.820 -9.217 -7.318 1.00 44.34 H new ATOM 0 HG CYS A 21 3.342 -9.176 -4.944 1.00 61.35 H new ATOM 307 N GLU A 22 1.281 -6.971 -8.979 1.00 52.22 N ATOM 308 CA GLU A 22 1.995 -6.036 -9.832 1.00 40.13 C ATOM 309 C GLU A 22 1.038 -5.037 -10.484 1.00 60.43 C ATOM 310 O GLU A 22 1.455 -3.955 -10.907 1.00 24.33 O ATOM 311 CB GLU A 22 2.814 -6.784 -10.892 1.00 32.21 C ATOM 312 CG GLU A 22 1.994 -7.679 -11.804 1.00 1.23 C ATOM 313 CD GLU A 22 2.860 -8.468 -12.765 1.00 73.51 C ATOM 314 OE1 GLU A 22 3.210 -7.929 -13.834 1.00 21.42 O ATOM 315 OE2 GLU A 22 3.197 -9.629 -12.455 1.00 72.01 O ATOM 0 H GLU A 22 1.031 -7.851 -9.431 1.00 52.22 H new ATOM 0 HA GLU A 22 2.685 -5.471 -9.205 1.00 40.13 H new ATOM 0 HB2 GLU A 22 3.347 -6.055 -11.502 1.00 32.21 H new ATOM 0 HB3 GLU A 22 3.567 -7.391 -10.390 1.00 32.21 H new ATOM 0 HG2 GLU A 22 1.405 -8.368 -11.199 1.00 1.23 H new ATOM 0 HG3 GLU A 22 1.289 -7.070 -12.370 1.00 1.23 H new ATOM 320 N GLU A 23 -0.243 -5.394 -10.562 1.00 35.24 N ATOM 321 CA GLU A 23 -1.256 -4.474 -11.068 1.00 72.14 C ATOM 322 C GLU A 23 -1.412 -3.296 -10.121 1.00 3.55 C ATOM 323 O GLU A 23 -1.468 -2.142 -10.551 1.00 33.40 O ATOM 324 CB GLU A 23 -2.610 -5.169 -11.251 1.00 13.52 C ATOM 325 CG GLU A 23 -2.621 -6.192 -12.370 1.00 51.14 C ATOM 326 CD GLU A 23 -4.018 -6.623 -12.753 1.00 63.52 C ATOM 327 OE1 GLU A 23 -4.682 -5.885 -13.512 1.00 52.02 O ATOM 328 OE2 GLU A 23 -4.451 -7.705 -12.319 1.00 33.44 O ATOM 0 H GLU A 23 -0.601 -6.308 -10.283 1.00 35.24 H new ATOM 0 HA GLU A 23 -0.922 -4.120 -12.043 1.00 72.14 H new ATOM 0 HB2 GLU A 23 -2.886 -5.661 -10.318 1.00 13.52 H new ATOM 0 HB3 GLU A 23 -3.372 -4.415 -11.451 1.00 13.52 H new ATOM 0 HG2 GLU A 23 -2.122 -5.774 -13.244 1.00 51.14 H new ATOM 0 HG3 GLU A 23 -2.047 -7.066 -12.063 1.00 51.14 H new ATOM 333 N MET A 24 -1.469 -3.592 -8.829 1.00 41.22 N ATOM 334 CA MET A 24 -1.568 -2.552 -7.813 1.00 75.43 C ATOM 335 C MET A 24 -0.329 -1.663 -7.844 1.00 65.34 C ATOM 336 O MET A 24 -0.430 -0.443 -7.728 1.00 31.11 O ATOM 337 CB MET A 24 -1.749 -3.166 -6.423 1.00 10.14 C ATOM 338 CG MET A 24 -3.062 -3.913 -6.255 1.00 10.44 C ATOM 339 SD MET A 24 -3.249 -4.625 -4.609 1.00 10.15 S ATOM 340 CE MET A 24 -3.264 -3.151 -3.593 1.00 24.33 C ATOM 0 H MET A 24 -1.448 -4.543 -8.460 1.00 41.22 H new ATOM 0 HA MET A 24 -2.443 -1.941 -8.032 1.00 75.43 H new ATOM 0 HB2 MET A 24 -0.923 -3.850 -6.227 1.00 10.14 H new ATOM 0 HB3 MET A 24 -1.692 -2.375 -5.675 1.00 10.14 H new ATOM 0 HG2 MET A 24 -3.891 -3.232 -6.448 1.00 10.44 H new ATOM 0 HG3 MET A 24 -3.122 -4.707 -6.999 1.00 10.44 H new ATOM 0 HE1 MET A 24 -3.941 -3.296 -2.751 1.00 24.33 H new ATOM 0 HE2 MET A 24 -2.258 -2.955 -3.221 1.00 24.33 H new ATOM 0 HE3 MET A 24 -3.602 -2.302 -4.188 1.00 24.33 H new ATOM 348 N ILE A 25 0.834 -2.284 -8.024 1.00 22.30 N ATOM 349 CA ILE A 25 2.088 -1.550 -8.141 1.00 11.01 C ATOM 350 C ILE A 25 2.027 -0.565 -9.310 1.00 32.21 C ATOM 351 O ILE A 25 2.335 0.617 -9.152 1.00 54.40 O ATOM 352 CB ILE A 25 3.291 -2.505 -8.328 1.00 53.53 C ATOM 353 CG1 ILE A 25 3.455 -3.400 -7.095 1.00 34.44 C ATOM 354 CG2 ILE A 25 4.568 -1.715 -8.593 1.00 33.52 C ATOM 355 CD1 ILE A 25 4.554 -4.431 -7.236 1.00 1.21 C ATOM 0 H ILE A 25 0.932 -3.297 -8.092 1.00 22.30 H new ATOM 0 HA ILE A 25 2.230 -0.999 -7.211 1.00 11.01 H new ATOM 0 HB ILE A 25 3.099 -3.139 -9.193 1.00 53.53 H new ATOM 0 HG12 ILE A 25 3.665 -2.774 -6.228 1.00 34.44 H new ATOM 0 HG13 ILE A 25 2.512 -3.911 -6.899 1.00 34.44 H new ATOM 0 HG21 ILE A 25 5.402 -2.405 -8.722 1.00 33.52 H new ATOM 0 HG22 ILE A 25 4.446 -1.120 -9.498 1.00 33.52 H new ATOM 0 HG23 ILE A 25 4.769 -1.055 -7.749 1.00 33.52 H new ATOM 0 HD11 ILE A 25 4.612 -5.028 -6.326 1.00 1.21 H new ATOM 0 HD12 ILE A 25 4.336 -5.081 -8.083 1.00 1.21 H new ATOM 0 HD13 ILE A 25 5.506 -3.927 -7.401 1.00 1.21 H new ATOM 366 N ALA A 26 1.610 -1.055 -10.474 1.00 62.12 N ATOM 367 CA ALA A 26 1.495 -0.219 -11.663 1.00 45.43 C ATOM 368 C ALA A 26 0.491 0.906 -11.450 1.00 63.23 C ATOM 369 O ALA A 26 0.720 2.043 -11.860 1.00 51.44 O ATOM 370 CB ALA A 26 1.098 -1.064 -12.863 1.00 15.11 C ATOM 0 H ALA A 26 1.346 -2.030 -10.618 1.00 62.12 H new ATOM 0 HA ALA A 26 2.468 0.233 -11.855 1.00 45.43 H new ATOM 0 HB1 ALA A 26 1.015 -0.428 -13.744 1.00 15.11 H new ATOM 0 HB2 ALA A 26 1.856 -1.828 -13.037 1.00 15.11 H new ATOM 0 HB3 ALA A 26 0.138 -1.542 -12.670 1.00 15.11 H new ATOM 376 N SER A 27 -0.614 0.583 -10.792 1.00 2.10 N ATOM 377 CA SER A 27 -1.651 1.561 -10.499 1.00 11.15 C ATOM 378 C SER A 27 -1.098 2.684 -9.620 1.00 73.52 C ATOM 379 O SER A 27 -1.355 3.866 -9.861 1.00 51.32 O ATOM 380 CB SER A 27 -2.827 0.872 -9.806 1.00 34.21 C ATOM 381 OG SER A 27 -3.362 -0.165 -10.612 1.00 44.13 O ATOM 0 H SER A 27 -0.815 -0.356 -10.449 1.00 2.10 H new ATOM 0 HA SER A 27 -1.996 2.001 -11.435 1.00 11.15 H new ATOM 0 HB2 SER A 27 -2.500 0.461 -8.851 1.00 34.21 H new ATOM 0 HB3 SER A 27 -3.604 1.605 -9.588 1.00 34.21 H new ATOM 0 HG SER A 27 -2.732 -0.915 -10.640 1.00 44.13 H new ATOM 386 N LEU A 28 -0.317 2.307 -8.612 1.00 52.14 N ATOM 387 CA LEU A 28 0.259 3.275 -7.689 1.00 72.42 C ATOM 388 C LEU A 28 1.264 4.182 -8.396 1.00 24.01 C ATOM 389 O LEU A 28 1.425 5.341 -8.030 1.00 74.11 O ATOM 390 CB LEU A 28 0.922 2.562 -6.511 1.00 75.01 C ATOM 391 CG LEU A 28 -0.021 1.722 -5.644 1.00 34.13 C ATOM 392 CD1 LEU A 28 0.733 1.102 -4.482 1.00 50.32 C ATOM 393 CD2 LEU A 28 -1.182 2.564 -5.135 1.00 11.31 C ATOM 0 H LEU A 28 -0.069 1.337 -8.415 1.00 52.14 H new ATOM 0 HA LEU A 28 -0.550 3.899 -7.310 1.00 72.42 H new ATOM 0 HB2 LEU A 28 1.710 1.914 -6.895 1.00 75.01 H new ATOM 0 HB3 LEU A 28 1.403 3.308 -5.879 1.00 75.01 H new ATOM 0 HG LEU A 28 -0.425 0.920 -6.262 1.00 34.13 H new ATOM 0 HD11 LEU A 28 0.046 0.509 -3.878 1.00 50.32 H new ATOM 0 HD12 LEU A 28 1.527 0.460 -4.864 1.00 50.32 H new ATOM 0 HD13 LEU A 28 1.168 1.891 -3.868 1.00 50.32 H new ATOM 0 HD21 LEU A 28 -1.838 1.946 -4.522 1.00 11.31 H new ATOM 0 HD22 LEU A 28 -0.798 3.390 -4.537 1.00 11.31 H new ATOM 0 HD23 LEU A 28 -1.743 2.960 -5.982 1.00 11.31 H new ATOM 404 N ARG A 29 1.930 3.649 -9.418 1.00 10.51 N ATOM 405 CA ARG A 29 2.879 4.436 -10.206 1.00 64.44 C ATOM 406 C ARG A 29 2.162 5.579 -10.915 1.00 24.42 C ATOM 407 O ARG A 29 2.684 6.689 -11.014 1.00 72.44 O ATOM 408 CB ARG A 29 3.593 3.558 -11.236 1.00 45.41 C ATOM 409 CG ARG A 29 4.371 2.403 -10.632 1.00 61.12 C ATOM 410 CD ARG A 29 5.471 2.884 -9.702 1.00 63.21 C ATOM 411 NE ARG A 29 6.519 3.617 -10.409 1.00 42.12 N ATOM 412 CZ ARG A 29 7.782 3.694 -9.988 1.00 31.42 C ATOM 413 NH1 ARG A 29 8.153 3.070 -8.877 1.00 1.40 N ATOM 414 NH2 ARG A 29 8.674 4.390 -10.675 1.00 43.40 N ATOM 0 H ARG A 29 1.832 2.680 -9.720 1.00 10.51 H new ATOM 0 HA ARG A 29 3.622 4.848 -9.523 1.00 64.44 H new ATOM 0 HB2 ARG A 29 2.855 3.160 -11.933 1.00 45.41 H new ATOM 0 HB3 ARG A 29 4.276 4.179 -11.816 1.00 45.41 H new ATOM 0 HG2 ARG A 29 3.689 1.754 -10.082 1.00 61.12 H new ATOM 0 HG3 ARG A 29 4.808 1.803 -11.430 1.00 61.12 H new ATOM 0 HD2 ARG A 29 5.039 3.525 -8.934 1.00 63.21 H new ATOM 0 HD3 ARG A 29 5.912 2.028 -9.192 1.00 63.21 H new ATOM 0 HE ARG A 29 6.270 4.097 -11.274 1.00 42.12 H new ATOM 0 HH11 ARG A 29 7.472 2.530 -8.343 1.00 1.40 H new ATOM 0 HH12 ARG A 29 9.120 3.130 -8.557 1.00 1.40 H new ATOM 0 HH21 ARG A 29 8.397 4.871 -11.531 1.00 43.40 H new ATOM 0 HH22 ARG A 29 9.639 4.446 -10.349 1.00 43.40 H new ATOM 425 N VAL A 30 0.958 5.296 -11.399 1.00 54.12 N ATOM 426 CA VAL A 30 0.156 6.303 -12.082 1.00 42.21 C ATOM 427 C VAL A 30 -0.409 7.311 -11.081 1.00 63.34 C ATOM 428 O VAL A 30 -0.425 8.516 -11.340 1.00 41.33 O ATOM 429 CB VAL A 30 -0.997 5.663 -12.887 1.00 1.04 C ATOM 430 CG1 VAL A 30 -1.796 6.730 -13.618 1.00 52.04 C ATOM 431 CG2 VAL A 30 -0.455 4.631 -13.868 1.00 73.34 C ATOM 0 H VAL A 30 0.517 4.379 -11.331 1.00 54.12 H new ATOM 0 HA VAL A 30 0.813 6.821 -12.781 1.00 42.21 H new ATOM 0 HB VAL A 30 -1.663 5.156 -12.189 1.00 1.04 H new ATOM 0 HG11 VAL A 30 -2.603 6.259 -14.179 1.00 52.04 H new ATOM 0 HG12 VAL A 30 -2.216 7.429 -12.895 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -1.142 7.268 -14.305 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -1.281 4.191 -14.426 1.00 73.34 H new ATOM 0 HG22 VAL A 30 0.234 5.114 -14.561 1.00 73.34 H new ATOM 0 HG23 VAL A 30 0.070 3.849 -13.320 1.00 73.34 H new ATOM 441 N LEU A 31 -0.851 6.814 -9.928 1.00 3.42 N ATOM 442 CA LEU A 31 -1.381 7.681 -8.881 1.00 74.10 C ATOM 443 C LEU A 31 -0.302 8.605 -8.335 1.00 2.23 C ATOM 444 O LEU A 31 -0.591 9.733 -7.946 1.00 44.23 O ATOM 445 CB LEU A 31 -1.991 6.863 -7.740 1.00 23.21 C ATOM 446 CG LEU A 31 -3.513 6.722 -7.781 1.00 64.42 C ATOM 447 CD1 LEU A 31 -4.004 5.988 -6.545 1.00 50.22 C ATOM 448 CD2 LEU A 31 -4.171 8.090 -7.877 1.00 33.51 C ATOM 0 H LEU A 31 -0.852 5.821 -9.697 1.00 3.42 H new ATOM 0 HA LEU A 31 -2.166 8.289 -9.331 1.00 74.10 H new ATOM 0 HB2 LEU A 31 -1.549 5.867 -7.752 1.00 23.21 H new ATOM 0 HB3 LEU A 31 -1.710 7.324 -6.793 1.00 23.21 H new ATOM 0 HG LEU A 31 -3.785 6.144 -8.664 1.00 64.42 H new ATOM 0 HD11 LEU A 31 -5.089 5.893 -6.585 1.00 50.22 H new ATOM 0 HD12 LEU A 31 -3.554 4.996 -6.508 1.00 50.22 H new ATOM 0 HD13 LEU A 31 -3.721 6.547 -5.653 1.00 50.22 H new ATOM 0 HD21 LEU A 31 -5.254 7.972 -7.905 1.00 33.51 H new ATOM 0 HD22 LEU A 31 -3.894 8.689 -7.009 1.00 33.51 H new ATOM 0 HD23 LEU A 31 -3.837 8.591 -8.785 1.00 33.51 H new ATOM 459 N GLN A 32 0.940 8.130 -8.328 1.00 1.24 N ATOM 460 CA GLN A 32 2.075 8.932 -7.877 1.00 13.31 C ATOM 461 C GLN A 32 2.215 10.219 -8.688 1.00 14.42 C ATOM 462 O GLN A 32 2.766 11.208 -8.207 1.00 13.32 O ATOM 463 CB GLN A 32 3.369 8.121 -7.959 1.00 34.45 C ATOM 464 CG GLN A 32 3.659 7.288 -6.716 1.00 40.51 C ATOM 465 CD GLN A 32 4.869 6.392 -6.890 1.00 30.34 C ATOM 466 OE1 GLN A 32 4.934 5.312 -6.122 1.00 2.43 O flip ATOM 467 NE2 GLN A 32 5.758 6.679 -7.689 1.00 52.32 N flip ATOM 0 H GLN A 32 1.188 7.188 -8.631 1.00 1.24 H new ATOM 0 HA GLN A 32 1.888 9.207 -6.839 1.00 13.31 H new ATOM 0 HB2 GLN A 32 3.316 7.459 -8.823 1.00 34.45 H new ATOM 0 HB3 GLN A 32 4.202 8.802 -8.130 1.00 34.45 H new ATOM 0 HG2 GLN A 32 3.821 7.952 -5.867 1.00 40.51 H new ATOM 0 HG3 GLN A 32 2.788 6.676 -6.481 1.00 40.51 H new ATOM 0 HE21 GLN A 32 5.676 7.517 -8.264 1.00 52.32 H new ATOM 0 HE22 GLN A 32 6.578 6.079 -7.777 1.00 52.32 H new ATOM 474 N LYS A 33 1.704 10.209 -9.915 1.00 40.35 N ATOM 475 CA LYS A 33 1.760 11.387 -10.768 1.00 74.54 C ATOM 476 C LYS A 33 0.826 12.474 -10.242 1.00 10.34 C ATOM 477 O LYS A 33 1.073 13.664 -10.430 1.00 74.44 O ATOM 478 CB LYS A 33 1.400 11.025 -12.205 1.00 20.10 C ATOM 479 CG LYS A 33 2.277 9.932 -12.789 1.00 21.30 C ATOM 480 CD LYS A 33 2.202 9.916 -14.303 1.00 72.25 C ATOM 481 CE LYS A 33 0.789 9.644 -14.805 1.00 43.11 C ATOM 482 NZ LYS A 33 0.709 9.672 -16.291 1.00 55.12 N ATOM 0 H LYS A 33 1.248 9.400 -10.338 1.00 40.35 H new ATOM 0 HA LYS A 33 2.780 11.772 -10.755 1.00 74.54 H new ATOM 0 HB2 LYS A 33 0.359 10.704 -12.241 1.00 20.10 H new ATOM 0 HB3 LYS A 33 1.480 11.916 -12.827 1.00 20.10 H new ATOM 0 HG2 LYS A 33 3.310 10.085 -12.475 1.00 21.30 H new ATOM 0 HG3 LYS A 33 1.965 8.964 -12.397 1.00 21.30 H new ATOM 0 HD2 LYS A 33 2.546 10.874 -14.693 1.00 72.25 H new ATOM 0 HD3 LYS A 33 2.877 9.153 -14.691 1.00 72.25 H new ATOM 0 HE2 LYS A 33 0.457 8.671 -14.443 1.00 43.11 H new ATOM 0 HE3 LYS A 33 0.108 10.388 -14.391 1.00 43.11 H new ATOM 0 HZ1 LYS A 33 -0.269 9.482 -16.590 1.00 55.12 H new ATOM 0 HZ2 LYS A 33 1.001 10.608 -16.637 1.00 55.12 H new ATOM 0 HZ3 LYS A 33 1.339 8.945 -16.686 1.00 55.12 H new ATOM 492 N LYS A 34 -0.242 12.055 -9.576 1.00 0.52 N ATOM 493 CA LYS A 34 -1.190 12.991 -8.986 1.00 22.33 C ATOM 494 C LYS A 34 -0.834 13.263 -7.532 1.00 35.52 C ATOM 495 O LYS A 34 -0.837 14.408 -7.082 1.00 23.05 O ATOM 496 CB LYS A 34 -2.625 12.451 -9.056 1.00 22.40 C ATOM 497 CG LYS A 34 -3.288 12.565 -10.422 1.00 32.44 C ATOM 498 CD LYS A 34 -2.671 11.625 -11.445 1.00 70.51 C ATOM 499 CE LYS A 34 -3.388 11.719 -12.780 1.00 54.03 C ATOM 500 NZ LYS A 34 -3.372 13.103 -13.321 1.00 51.00 N ATOM 0 H LYS A 34 -0.474 11.072 -9.431 1.00 0.52 H new ATOM 0 HA LYS A 34 -1.133 13.916 -9.559 1.00 22.33 H new ATOM 0 HB2 LYS A 34 -2.618 11.402 -8.758 1.00 22.40 H new ATOM 0 HB3 LYS A 34 -3.234 12.985 -8.327 1.00 22.40 H new ATOM 0 HG2 LYS A 34 -4.351 12.346 -10.326 1.00 32.44 H new ATOM 0 HG3 LYS A 34 -3.205 13.592 -10.779 1.00 32.44 H new ATOM 0 HD2 LYS A 34 -1.617 11.869 -11.577 1.00 70.51 H new ATOM 0 HD3 LYS A 34 -2.717 10.600 -11.076 1.00 70.51 H new ATOM 0 HE2 LYS A 34 -2.916 11.045 -13.494 1.00 54.03 H new ATOM 0 HE3 LYS A 34 -4.420 11.387 -12.662 1.00 54.03 H new ATOM 0 HZ1 LYS A 34 -3.669 13.090 -14.318 1.00 51.00 H new ATOM 0 HZ2 LYS A 34 -4.026 13.698 -12.773 1.00 51.00 H new ATOM 0 HZ3 LYS A 34 -2.410 13.492 -13.252 1.00 51.00 H new ATOM 510 N SER A 35 -0.524 12.199 -6.809 1.00 20.13 N ATOM 511 CA SER A 35 -0.257 12.279 -5.383 1.00 33.03 C ATOM 512 C SER A 35 0.856 11.309 -5.002 1.00 51.10 C ATOM 513 O SER A 35 0.720 10.099 -5.176 1.00 71.04 O ATOM 514 CB SER A 35 -1.539 11.963 -4.604 1.00 32.22 C ATOM 515 OG SER A 35 -2.576 12.870 -4.950 1.00 51.14 O ATOM 0 H SER A 35 -0.451 11.257 -7.194 1.00 20.13 H new ATOM 0 HA SER A 35 0.069 13.288 -5.132 1.00 33.03 H new ATOM 0 HB2 SER A 35 -1.857 10.942 -4.816 1.00 32.22 H new ATOM 0 HB3 SER A 35 -1.343 12.019 -3.533 1.00 32.22 H new ATOM 0 HG SER A 35 -2.945 13.271 -4.136 1.00 51.14 H new ATOM 520 N TRP A 36 1.961 11.843 -4.501 1.00 61.01 N ATOM 521 CA TRP A 36 3.100 11.020 -4.135 1.00 31.41 C ATOM 522 C TRP A 36 2.864 10.333 -2.797 1.00 34.22 C ATOM 523 O TRP A 36 2.499 10.972 -1.809 1.00 40.43 O ATOM 524 CB TRP A 36 4.376 11.858 -4.069 1.00 53.43 C ATOM 525 CG TRP A 36 5.606 11.029 -3.897 1.00 54.31 C ATOM 526 CD1 TRP A 36 6.228 10.715 -2.724 1.00 2.15 C ATOM 527 CD2 TRP A 36 6.354 10.392 -4.934 1.00 42.31 C ATOM 528 NE1 TRP A 36 7.321 9.923 -2.972 1.00 44.24 N ATOM 529 CE2 TRP A 36 7.420 9.712 -4.320 1.00 43.21 C ATOM 530 CE3 TRP A 36 6.228 10.331 -6.323 1.00 62.11 C ATOM 531 CZ2 TRP A 36 8.353 8.978 -5.045 1.00 33.30 C ATOM 532 CZ3 TRP A 36 7.156 9.603 -7.045 1.00 50.51 C ATOM 533 CH2 TRP A 36 8.208 8.932 -6.403 1.00 42.44 C ATOM 0 H TRP A 36 2.091 12.842 -4.340 1.00 61.01 H new ATOM 0 HA TRP A 36 3.220 10.257 -4.905 1.00 31.41 H new ATOM 0 HB2 TRP A 36 4.466 12.447 -4.982 1.00 53.43 H new ATOM 0 HB3 TRP A 36 4.300 12.563 -3.241 1.00 53.43 H new ATOM 0 HD1 TRP A 36 5.908 11.041 -1.746 1.00 2.15 H new ATOM 0 HE1 TRP A 36 7.957 9.552 -2.266 1.00 44.24 H new ATOM 0 HE3 TRP A 36 5.420 10.843 -6.825 1.00 62.11 H new ATOM 0 HZ2 TRP A 36 9.164 8.462 -4.552 1.00 33.30 H new ATOM 0 HZ3 TRP A 36 7.070 9.550 -8.120 1.00 50.51 H new ATOM 0 HH2 TRP A 36 8.916 8.369 -6.993 1.00 42.44 H new ATOM 543 N PHE A 37 3.067 9.026 -2.782 1.00 70.21 N ATOM 544 CA PHE A 37 2.941 8.236 -1.565 1.00 53.32 C ATOM 545 C PHE A 37 4.009 7.156 -1.509 1.00 3.23 C ATOM 546 O PHE A 37 3.869 6.177 -0.776 1.00 12.41 O ATOM 547 CB PHE A 37 1.548 7.606 -1.469 1.00 10.01 C ATOM 548 CG PHE A 37 1.040 7.018 -2.762 1.00 14.21 C ATOM 549 CD1 PHE A 37 1.644 5.906 -3.337 1.00 41.42 C ATOM 550 CD2 PHE A 37 -0.054 7.579 -3.396 1.00 33.23 C ATOM 551 CE1 PHE A 37 1.164 5.377 -4.518 1.00 43.24 C ATOM 552 CE2 PHE A 37 -0.537 7.053 -4.576 1.00 21.41 C ATOM 553 CZ PHE A 37 0.071 5.950 -5.137 1.00 32.22 C ATOM 0 H PHE A 37 3.322 8.484 -3.607 1.00 70.21 H new ATOM 0 HA PHE A 37 3.080 8.905 -0.715 1.00 53.32 H new ATOM 0 HB2 PHE A 37 1.568 6.823 -0.711 1.00 10.01 H new ATOM 0 HB3 PHE A 37 0.843 8.363 -1.126 1.00 10.01 H new ATOM 0 HD1 PHE A 37 2.497 5.452 -2.855 1.00 41.42 H new ATOM 0 HD2 PHE A 37 -0.537 8.441 -2.961 1.00 33.23 H new ATOM 0 HE1 PHE A 37 1.643 4.515 -4.958 1.00 43.24 H new ATOM 0 HE2 PHE A 37 -1.390 7.505 -5.060 1.00 21.41 H new ATOM 0 HZ PHE A 37 -0.307 5.535 -6.059 1.00 32.22 H new ATOM 562 N GLU A 38 5.078 7.347 -2.279 1.00 34.54 N ATOM 563 CA GLU A 38 6.171 6.379 -2.338 1.00 23.12 C ATOM 564 C GLU A 38 5.666 5.018 -2.805 1.00 72.51 C ATOM 565 O GLU A 38 4.498 4.860 -3.161 1.00 51.31 O ATOM 566 CB GLU A 38 6.846 6.257 -0.968 1.00 62.24 C ATOM 567 CG GLU A 38 7.590 7.508 -0.550 1.00 10.43 C ATOM 568 CD GLU A 38 8.914 7.672 -1.259 1.00 0.51 C ATOM 569 OE1 GLU A 38 9.555 6.656 -1.579 1.00 45.10 O ATOM 570 OE2 GLU A 38 9.328 8.829 -1.487 1.00 11.34 O ATOM 0 H GLU A 38 5.211 8.166 -2.872 1.00 34.54 H new ATOM 0 HA GLU A 38 6.905 6.735 -3.061 1.00 23.12 H new ATOM 0 HB2 GLU A 38 6.090 6.025 -0.218 1.00 62.24 H new ATOM 0 HB3 GLU A 38 7.542 5.419 -0.988 1.00 62.24 H new ATOM 0 HG2 GLU A 38 6.966 8.379 -0.751 1.00 10.43 H new ATOM 0 HG3 GLU A 38 7.761 7.480 0.526 1.00 10.43 H new ATOM 575 N LEU A 39 6.557 4.050 -2.863 1.00 32.31 N ATOM 576 CA LEU A 39 6.151 2.687 -3.139 1.00 41.42 C ATOM 577 C LEU A 39 7.114 1.700 -2.502 1.00 71.24 C ATOM 578 O LEU A 39 8.261 1.568 -2.936 1.00 44.04 O ATOM 579 CB LEU A 39 6.039 2.457 -4.646 1.00 11.31 C ATOM 580 CG LEU A 39 5.357 1.152 -5.062 1.00 1.32 C ATOM 581 CD1 LEU A 39 4.213 0.805 -4.121 1.00 33.14 C ATOM 582 CD2 LEU A 39 4.829 1.278 -6.478 1.00 12.14 C ATOM 0 H LEU A 39 7.559 4.179 -2.724 1.00 32.31 H new ATOM 0 HA LEU A 39 5.167 2.523 -2.699 1.00 41.42 H new ATOM 0 HB2 LEU A 39 5.489 3.290 -5.084 1.00 11.31 H new ATOM 0 HB3 LEU A 39 7.041 2.476 -5.075 1.00 11.31 H new ATOM 0 HG LEU A 39 6.096 0.352 -5.013 1.00 1.32 H new ATOM 0 HD11 LEU A 39 3.748 -0.127 -4.442 1.00 33.14 H new ATOM 0 HD12 LEU A 39 4.598 0.688 -3.108 1.00 33.14 H new ATOM 0 HD13 LEU A 39 3.473 1.605 -4.138 1.00 33.14 H new ATOM 0 HD21 LEU A 39 4.344 0.346 -6.770 1.00 12.14 H new ATOM 0 HD22 LEU A 39 4.107 2.093 -6.526 1.00 12.14 H new ATOM 0 HD23 LEU A 39 5.656 1.485 -7.158 1.00 12.14 H new ATOM 593 N GLU A 40 6.641 1.014 -1.476 1.00 15.24 N ATOM 594 CA GLU A 40 7.452 0.036 -0.775 1.00 75.11 C ATOM 595 C GLU A 40 6.739 -1.307 -0.777 1.00 54.22 C ATOM 596 O GLU A 40 5.641 -1.435 -0.247 1.00 45.11 O ATOM 597 CB GLU A 40 7.722 0.520 0.654 1.00 42.11 C ATOM 598 CG GLU A 40 8.775 -0.268 1.410 1.00 45.32 C ATOM 599 CD GLU A 40 9.313 0.503 2.598 1.00 43.52 C ATOM 600 OE1 GLU A 40 8.567 0.701 3.580 1.00 51.43 O ATOM 601 OE2 GLU A 40 10.473 0.955 2.537 1.00 14.21 O ATOM 0 H GLU A 40 5.695 1.118 -1.109 1.00 15.24 H new ATOM 0 HA GLU A 40 8.411 -0.084 -1.279 1.00 75.11 H new ATOM 0 HB2 GLU A 40 8.030 1.565 0.615 1.00 42.11 H new ATOM 0 HB3 GLU A 40 6.789 0.483 1.216 1.00 42.11 H new ATOM 0 HG2 GLU A 40 8.347 -1.210 1.752 1.00 45.32 H new ATOM 0 HG3 GLU A 40 9.595 -0.516 0.737 1.00 45.32 H new ATOM 606 N VAL A 41 7.360 -2.295 -1.398 1.00 40.05 N ATOM 607 CA VAL A 41 6.768 -3.624 -1.507 1.00 43.24 C ATOM 608 C VAL A 41 7.576 -4.618 -0.689 1.00 75.15 C ATOM 609 O VAL A 41 8.785 -4.752 -0.877 1.00 61.43 O ATOM 610 CB VAL A 41 6.699 -4.095 -2.977 1.00 52.25 C ATOM 611 CG1 VAL A 41 6.028 -5.459 -3.084 1.00 51.24 C ATOM 612 CG2 VAL A 41 5.965 -3.072 -3.833 1.00 30.33 C ATOM 0 H VAL A 41 8.276 -2.205 -1.837 1.00 40.05 H new ATOM 0 HA VAL A 41 5.750 -3.569 -1.121 1.00 43.24 H new ATOM 0 HB VAL A 41 7.720 -4.190 -3.348 1.00 52.25 H new ATOM 0 HG11 VAL A 41 5.993 -5.766 -4.129 1.00 51.24 H new ATOM 0 HG12 VAL A 41 6.597 -6.190 -2.510 1.00 51.24 H new ATOM 0 HG13 VAL A 41 5.014 -5.397 -2.690 1.00 51.24 H new ATOM 0 HG21 VAL A 41 5.927 -3.421 -4.865 1.00 30.33 H new ATOM 0 HG22 VAL A 41 4.951 -2.943 -3.456 1.00 30.33 H new ATOM 0 HG23 VAL A 41 6.492 -2.119 -3.792 1.00 30.33 H new ATOM 622 N ILE A 42 6.912 -5.303 0.229 1.00 11.14 N ATOM 623 CA ILE A 42 7.606 -6.176 1.163 1.00 25.42 C ATOM 624 C ILE A 42 6.979 -7.570 1.186 1.00 44.23 C ATOM 625 O ILE A 42 5.802 -7.726 1.518 1.00 30.21 O ATOM 626 CB ILE A 42 7.593 -5.570 2.584 1.00 62.04 C ATOM 627 CG1 ILE A 42 8.198 -4.162 2.543 1.00 71.53 C ATOM 628 CG2 ILE A 42 8.359 -6.458 3.556 1.00 30.23 C ATOM 629 CD1 ILE A 42 8.120 -3.416 3.852 1.00 0.20 C ATOM 0 H ILE A 42 5.899 -5.272 0.347 1.00 11.14 H new ATOM 0 HA ILE A 42 8.638 -6.269 0.826 1.00 25.42 H new ATOM 0 HB ILE A 42 6.563 -5.505 2.935 1.00 62.04 H new ATOM 0 HG12 ILE A 42 9.243 -4.237 2.242 1.00 71.53 H new ATOM 0 HG13 ILE A 42 7.686 -3.581 1.776 1.00 71.53 H new ATOM 0 HG21 ILE A 42 8.337 -6.012 4.551 1.00 30.23 H new ATOM 0 HG22 ILE A 42 7.896 -7.444 3.590 1.00 30.23 H new ATOM 0 HG23 ILE A 42 9.393 -6.554 3.224 1.00 30.23 H new ATOM 0 HD11 ILE A 42 8.570 -2.430 3.736 1.00 0.20 H new ATOM 0 HD12 ILE A 42 7.076 -3.306 4.147 1.00 0.20 H new ATOM 0 HD13 ILE A 42 8.657 -3.972 4.620 1.00 0.20 H new ATOM 640 N ASN A 43 7.767 -8.570 0.802 1.00 1.41 N ATOM 641 CA ASN A 43 7.344 -9.967 0.850 1.00 41.22 C ATOM 642 C ASN A 43 7.176 -10.438 2.287 1.00 11.34 C ATOM 643 O ASN A 43 8.149 -10.520 3.041 1.00 24.33 O ATOM 644 CB ASN A 43 8.364 -10.867 0.144 1.00 51.33 C ATOM 645 CG ASN A 43 8.273 -10.798 -1.365 1.00 11.43 C ATOM 646 OD1 ASN A 43 8.844 -9.906 -1.993 1.00 24.44 O ATOM 647 ND2 ASN A 43 7.592 -11.761 -1.964 1.00 31.33 N ATOM 0 H ASN A 43 8.715 -8.436 0.449 1.00 1.41 H new ATOM 0 HA ASN A 43 6.384 -10.035 0.338 1.00 41.22 H new ATOM 0 HB2 ASN A 43 9.369 -10.581 0.455 1.00 51.33 H new ATOM 0 HB3 ASN A 43 8.213 -11.898 0.464 1.00 51.33 H new ATOM 0 HD21 ASN A 43 7.526 -11.782 -2.982 1.00 31.33 H new ATOM 0 HD22 ASN A 43 7.133 -12.482 -1.408 1.00 31.33 H new ATOM 653 N ILE A 44 5.948 -10.753 2.664 1.00 60.23 N ATOM 654 CA ILE A 44 5.671 -11.262 4.000 1.00 4.00 C ATOM 655 C ILE A 44 5.926 -12.762 4.066 1.00 65.03 C ATOM 656 O ILE A 44 5.902 -13.357 5.139 1.00 12.21 O ATOM 657 CB ILE A 44 4.218 -10.981 4.447 1.00 14.20 C ATOM 658 CG1 ILE A 44 3.224 -11.776 3.598 1.00 34.12 C ATOM 659 CG2 ILE A 44 3.916 -9.492 4.360 1.00 24.42 C ATOM 660 CD1 ILE A 44 1.812 -11.738 4.133 1.00 13.21 C ATOM 0 H ILE A 44 5.127 -10.666 2.066 1.00 60.23 H new ATOM 0 HA ILE A 44 6.345 -10.737 4.677 1.00 4.00 H new ATOM 0 HB ILE A 44 4.112 -11.300 5.484 1.00 14.20 H new ATOM 0 HG12 ILE A 44 3.230 -11.383 2.581 1.00 34.12 H new ATOM 0 HG13 ILE A 44 3.555 -12.813 3.540 1.00 34.12 H new ATOM 0 HG21 ILE A 44 2.889 -9.310 4.678 1.00 24.42 H new ATOM 0 HG22 ILE A 44 4.599 -8.944 5.008 1.00 24.42 H new ATOM 0 HG23 ILE A 44 4.043 -9.155 3.331 1.00 24.42 H new ATOM 0 HD11 ILE A 44 1.161 -12.322 3.483 1.00 13.21 H new ATOM 0 HD12 ILE A 44 1.792 -12.159 5.138 1.00 13.21 H new ATOM 0 HD13 ILE A 44 1.463 -10.706 4.165 1.00 13.21 H new ATOM 671 N ASP A 45 6.164 -13.371 2.909 1.00 62.53 N ATOM 672 CA ASP A 45 6.458 -14.800 2.842 1.00 54.02 C ATOM 673 C ASP A 45 7.880 -15.078 3.320 1.00 74.14 C ATOM 674 O ASP A 45 8.224 -16.213 3.654 1.00 15.24 O ATOM 675 CB ASP A 45 6.261 -15.334 1.418 1.00 12.31 C ATOM 676 CG ASP A 45 7.100 -14.602 0.387 1.00 25.43 C ATOM 677 OD1 ASP A 45 6.662 -13.531 -0.081 1.00 5.31 O ATOM 678 OD2 ASP A 45 8.191 -15.096 0.035 1.00 4.12 O ATOM 0 H ASP A 45 6.159 -12.899 2.005 1.00 62.53 H new ATOM 0 HA ASP A 45 5.761 -15.318 3.501 1.00 54.02 H new ATOM 0 HB2 ASP A 45 6.512 -16.394 1.396 1.00 12.31 H new ATOM 0 HB3 ASP A 45 5.209 -15.250 1.147 1.00 12.31 H new ATOM 682 N GLY A 46 8.692 -14.030 3.363 1.00 15.44 N ATOM 683 CA GLY A 46 10.050 -14.159 3.853 1.00 53.54 C ATOM 684 C GLY A 46 10.156 -13.817 5.330 1.00 14.41 C ATOM 685 O GLY A 46 11.204 -14.021 5.949 1.00 53.44 O ATOM 0 H GLY A 46 8.433 -13.089 3.066 1.00 15.44 H new ATOM 0 HA2 GLY A 46 10.399 -15.179 3.691 1.00 53.54 H new ATOM 0 HA3 GLY A 46 10.706 -13.503 3.281 1.00 53.54 H new ATOM 689 N ASN A 47 9.068 -13.295 5.887 1.00 64.22 N ATOM 690 CA ASN A 47 9.012 -12.935 7.301 1.00 5.12 C ATOM 691 C ASN A 47 7.825 -13.615 7.963 1.00 21.14 C ATOM 692 O ASN A 47 6.688 -13.160 7.830 1.00 12.01 O ATOM 693 CB ASN A 47 8.904 -11.415 7.487 1.00 65.34 C ATOM 694 CG ASN A 47 10.180 -10.680 7.125 1.00 24.13 C ATOM 695 OD1 ASN A 47 11.280 -11.217 7.248 1.00 50.20 O ATOM 696 ND2 ASN A 47 10.039 -9.438 6.690 1.00 61.52 N ATOM 0 H ASN A 47 8.205 -13.110 5.376 1.00 64.22 H new ATOM 0 HA ASN A 47 9.937 -13.272 7.769 1.00 5.12 H new ATOM 0 HB2 ASN A 47 8.087 -11.037 6.873 1.00 65.34 H new ATOM 0 HB3 ASN A 47 8.649 -11.199 8.525 1.00 65.34 H new ATOM 0 HD21 ASN A 47 10.861 -8.888 6.442 1.00 61.52 H new ATOM 0 HD22 ASN A 47 9.108 -9.031 6.603 1.00 61.52 H new ATOM 702 N GLU A 48 8.102 -14.699 8.677 1.00 30.40 N ATOM 703 CA GLU A 48 7.063 -15.535 9.280 1.00 53.55 C ATOM 704 C GLU A 48 6.119 -14.726 10.162 1.00 64.11 C ATOM 705 O GLU A 48 4.926 -15.024 10.241 1.00 55.11 O ATOM 706 CB GLU A 48 7.680 -16.662 10.116 1.00 13.21 C ATOM 707 CG GLU A 48 8.835 -17.383 9.442 1.00 25.30 C ATOM 708 CD GLU A 48 10.159 -16.686 9.666 1.00 3.43 C ATOM 709 OE1 GLU A 48 10.814 -16.969 10.688 1.00 64.13 O ATOM 710 OE2 GLU A 48 10.542 -15.839 8.834 1.00 14.42 O ATOM 0 H GLU A 48 9.051 -15.026 8.856 1.00 30.40 H new ATOM 0 HA GLU A 48 6.492 -15.960 8.455 1.00 53.55 H new ATOM 0 HB2 GLU A 48 8.029 -16.247 11.062 1.00 13.21 H new ATOM 0 HB3 GLU A 48 6.903 -17.389 10.354 1.00 13.21 H new ATOM 0 HG2 GLU A 48 8.895 -18.403 9.823 1.00 25.30 H new ATOM 0 HG3 GLU A 48 8.641 -17.453 8.372 1.00 25.30 H new ATOM 715 N HIS A 49 6.644 -13.701 10.823 1.00 34.24 N ATOM 716 CA HIS A 49 5.840 -12.907 11.740 1.00 63.11 C ATOM 717 C HIS A 49 4.767 -12.141 10.974 1.00 20.03 C ATOM 718 O HIS A 49 3.635 -12.004 11.440 1.00 32.42 O ATOM 719 CB HIS A 49 6.712 -11.936 12.536 1.00 35.12 C ATOM 720 CG HIS A 49 6.121 -11.562 13.862 1.00 32.12 C ATOM 721 ND1 HIS A 49 6.673 -11.954 15.058 1.00 34.53 N ATOM 722 CD2 HIS A 49 5.015 -10.849 14.178 1.00 11.13 C ATOM 723 CE1 HIS A 49 5.933 -11.503 16.053 1.00 62.20 C ATOM 724 NE2 HIS A 49 4.916 -10.826 15.548 1.00 72.52 N ATOM 0 H HIS A 49 7.616 -13.403 10.741 1.00 34.24 H new ATOM 0 HA HIS A 49 5.358 -13.587 12.443 1.00 63.11 H new ATOM 0 HB2 HIS A 49 7.692 -12.386 12.696 1.00 35.12 H new ATOM 0 HB3 HIS A 49 6.868 -11.032 11.947 1.00 35.12 H new ATOM 0 HD2 HIS A 49 4.335 -10.383 13.481 1.00 11.13 H new ATOM 0 HE1 HIS A 49 6.126 -11.661 17.104 1.00 62.20 H new ATOM 0 HE2 HIS A 49 4.182 -10.364 16.085 1.00 72.52 H new ATOM 731 N LEU A 50 5.119 -11.661 9.786 1.00 12.11 N ATOM 732 CA LEU A 50 4.173 -10.944 8.942 1.00 51.21 C ATOM 733 C LEU A 50 3.192 -11.918 8.303 1.00 43.21 C ATOM 734 O LEU A 50 2.074 -11.547 7.950 1.00 3.42 O ATOM 735 CB LEU A 50 4.901 -10.138 7.864 1.00 54.33 C ATOM 736 CG LEU A 50 5.741 -8.970 8.382 1.00 12.24 C ATOM 737 CD1 LEU A 50 6.391 -8.240 7.221 1.00 53.11 C ATOM 738 CD2 LEU A 50 4.884 -8.012 9.197 1.00 43.55 C ATOM 0 H LEU A 50 6.053 -11.756 9.387 1.00 12.11 H new ATOM 0 HA LEU A 50 3.618 -10.246 9.570 1.00 51.21 H new ATOM 0 HB2 LEU A 50 5.550 -10.812 7.305 1.00 54.33 H new ATOM 0 HB3 LEU A 50 4.163 -9.751 7.162 1.00 54.33 H new ATOM 0 HG LEU A 50 6.522 -9.366 9.031 1.00 12.24 H new ATOM 0 HD11 LEU A 50 6.987 -7.410 7.601 1.00 53.11 H new ATOM 0 HD12 LEU A 50 7.035 -8.928 6.673 1.00 53.11 H new ATOM 0 HD13 LEU A 50 5.619 -7.857 6.554 1.00 53.11 H new ATOM 0 HD21 LEU A 50 5.501 -7.188 9.556 1.00 43.55 H new ATOM 0 HD22 LEU A 50 4.082 -7.619 8.572 1.00 43.55 H new ATOM 0 HD23 LEU A 50 4.455 -8.542 10.047 1.00 43.55 H new ATOM 749 N THR A 51 3.609 -13.172 8.174 1.00 41.31 N ATOM 750 CA THR A 51 2.726 -14.219 7.682 1.00 61.53 C ATOM 751 C THR A 51 1.582 -14.435 8.675 1.00 63.15 C ATOM 752 O THR A 51 0.450 -14.710 8.295 1.00 24.42 O ATOM 753 CB THR A 51 3.491 -15.543 7.490 1.00 23.33 C ATOM 754 OG1 THR A 51 4.764 -15.296 6.877 1.00 54.04 O ATOM 755 CG2 THR A 51 2.701 -16.518 6.630 1.00 1.10 C ATOM 0 H THR A 51 4.552 -13.487 8.403 1.00 41.31 H new ATOM 0 HA THR A 51 2.328 -13.905 6.717 1.00 61.53 H new ATOM 0 HB THR A 51 3.636 -15.986 8.475 1.00 23.33 H new ATOM 0 HG1 THR A 51 4.712 -14.484 6.331 1.00 54.04 H new ATOM 0 HG21 THR A 51 3.268 -17.442 6.513 1.00 1.10 H new ATOM 0 HG22 THR A 51 1.747 -16.736 7.110 1.00 1.10 H new ATOM 0 HG23 THR A 51 2.522 -16.076 5.650 1.00 1.10 H new ATOM 763 N ARG A 52 1.885 -14.263 9.950 1.00 54.54 N ATOM 764 CA ARG A 52 0.900 -14.453 11.010 1.00 14.32 C ATOM 765 C ARG A 52 -0.032 -13.252 11.083 1.00 72.04 C ATOM 766 O ARG A 52 -1.213 -13.380 11.403 1.00 71.45 O ATOM 767 CB ARG A 52 1.610 -14.651 12.350 1.00 3.13 C ATOM 768 CG ARG A 52 2.427 -15.930 12.415 1.00 61.42 C ATOM 769 CD ARG A 52 1.532 -17.157 12.464 1.00 41.24 C ATOM 770 NE ARG A 52 2.281 -18.393 12.266 1.00 4.33 N ATOM 771 CZ ARG A 52 2.526 -19.286 13.224 1.00 21.24 C ATOM 772 NH1 ARG A 52 2.126 -19.070 14.474 1.00 72.51 N ATOM 773 NH2 ARG A 52 3.179 -20.401 12.933 1.00 32.50 N ATOM 0 H ARG A 52 2.810 -13.990 10.281 1.00 54.54 H new ATOM 0 HA ARG A 52 0.308 -15.341 10.788 1.00 14.32 H new ATOM 0 HB2 ARG A 52 2.265 -13.800 12.535 1.00 3.13 H new ATOM 0 HB3 ARG A 52 0.868 -14.661 13.148 1.00 3.13 H new ATOM 0 HG2 ARG A 52 3.082 -15.990 11.546 1.00 61.42 H new ATOM 0 HG3 ARG A 52 3.068 -15.910 13.296 1.00 61.42 H new ATOM 0 HD2 ARG A 52 1.021 -17.194 13.426 1.00 41.24 H new ATOM 0 HD3 ARG A 52 0.762 -17.074 11.697 1.00 41.24 H new ATOM 0 HE ARG A 52 2.641 -18.587 11.332 1.00 4.33 H new ATOM 0 HH11 ARG A 52 1.625 -18.213 14.708 1.00 72.51 H new ATOM 0 HH12 ARG A 52 2.320 -19.762 15.198 1.00 72.51 H new ATOM 0 HH21 ARG A 52 3.493 -20.574 11.978 1.00 32.50 H new ATOM 0 HH22 ARG A 52 3.368 -21.087 13.664 1.00 32.50 H new ATOM 784 N LEU A 53 0.513 -12.086 10.767 1.00 70.34 N ATOM 785 CA LEU A 53 -0.240 -10.841 10.821 1.00 20.42 C ATOM 786 C LEU A 53 -1.135 -10.672 9.598 1.00 60.51 C ATOM 787 O LEU A 53 -2.138 -9.960 9.651 1.00 64.12 O ATOM 788 CB LEU A 53 0.721 -9.654 10.925 1.00 3.52 C ATOM 789 CG LEU A 53 1.471 -9.533 12.249 1.00 54.23 C ATOM 790 CD1 LEU A 53 2.589 -8.510 12.136 1.00 43.14 C ATOM 791 CD2 LEU A 53 0.511 -9.141 13.359 1.00 63.40 C ATOM 0 H LEU A 53 1.482 -11.976 10.468 1.00 70.34 H new ATOM 0 HA LEU A 53 -0.879 -10.877 11.704 1.00 20.42 H new ATOM 0 HB2 LEU A 53 1.451 -9.728 10.119 1.00 3.52 H new ATOM 0 HB3 LEU A 53 0.157 -8.736 10.761 1.00 3.52 H new ATOM 0 HG LEU A 53 1.911 -10.501 12.489 1.00 54.23 H new ATOM 0 HD11 LEU A 53 3.113 -8.437 13.089 1.00 43.14 H new ATOM 0 HD12 LEU A 53 3.289 -8.820 11.360 1.00 43.14 H new ATOM 0 HD13 LEU A 53 2.168 -7.538 11.878 1.00 43.14 H new ATOM 0 HD21 LEU A 53 1.056 -9.057 14.299 1.00 63.40 H new ATOM 0 HD22 LEU A 53 0.051 -8.182 13.120 1.00 63.40 H new ATOM 0 HD23 LEU A 53 -0.264 -9.902 13.455 1.00 63.40 H new ATOM 802 N TYR A 54 -0.772 -11.323 8.497 1.00 41.03 N ATOM 803 CA TYR A 54 -1.500 -11.150 7.244 1.00 3.53 C ATOM 804 C TYR A 54 -1.736 -12.486 6.540 1.00 30.32 C ATOM 805 O TYR A 54 -2.836 -13.031 6.592 1.00 72.41 O ATOM 806 CB TYR A 54 -0.734 -10.199 6.307 1.00 65.11 C ATOM 807 CG TYR A 54 -0.502 -8.819 6.889 1.00 23.41 C ATOM 808 CD1 TYR A 54 0.601 -8.558 7.695 1.00 15.12 C ATOM 809 CD2 TYR A 54 -1.392 -7.785 6.646 1.00 3.43 C ATOM 810 CE1 TYR A 54 0.809 -7.306 8.240 1.00 12.32 C ATOM 811 CE2 TYR A 54 -1.194 -6.529 7.185 1.00 32.35 C ATOM 812 CZ TYR A 54 -0.094 -6.295 7.984 1.00 55.25 C ATOM 813 OH TYR A 54 0.099 -5.048 8.531 1.00 22.30 O ATOM 0 H TYR A 54 0.015 -11.970 8.446 1.00 41.03 H new ATOM 0 HA TYR A 54 -2.471 -10.718 7.487 1.00 3.53 H new ATOM 0 HB2 TYR A 54 0.229 -10.645 6.061 1.00 65.11 H new ATOM 0 HB3 TYR A 54 -1.288 -10.101 5.373 1.00 65.11 H new ATOM 0 HD1 TYR A 54 1.308 -9.349 7.898 1.00 15.12 H new ATOM 0 HD2 TYR A 54 -2.256 -7.965 6.024 1.00 3.43 H new ATOM 0 HE1 TYR A 54 1.672 -7.120 8.862 1.00 12.32 H new ATOM 0 HE2 TYR A 54 -1.897 -5.734 6.982 1.00 32.35 H new ATOM 0 HH TYR A 54 -0.627 -4.452 8.251 1.00 22.30 H new ATOM 822 N ASN A 55 -0.673 -13.013 5.927 1.00 33.42 N ATOM 823 CA ASN A 55 -0.734 -14.195 5.043 1.00 22.12 C ATOM 824 C ASN A 55 -1.882 -14.123 4.030 1.00 55.22 C ATOM 825 O ASN A 55 -1.703 -13.644 2.909 1.00 21.12 O ATOM 826 CB ASN A 55 -0.843 -15.497 5.838 1.00 73.52 C ATOM 827 CG ASN A 55 -0.671 -16.728 4.963 1.00 60.13 C ATOM 828 OD1 ASN A 55 0.025 -16.691 3.946 1.00 31.14 O ATOM 829 ND2 ASN A 55 -1.295 -17.830 5.350 1.00 61.31 N ATOM 0 H ASN A 55 0.268 -12.632 6.027 1.00 33.42 H new ATOM 0 HA ASN A 55 0.206 -14.190 4.491 1.00 22.12 H new ATOM 0 HB2 ASN A 55 -0.087 -15.504 6.623 1.00 73.52 H new ATOM 0 HB3 ASN A 55 -1.814 -15.538 6.331 1.00 73.52 H new ATOM 0 HD21 ASN A 55 -1.208 -18.685 4.801 1.00 61.31 H new ATOM 0 HD22 ASN A 55 -1.863 -17.824 6.197 1.00 61.31 H new ATOM 835 N ASP A 56 -3.062 -14.576 4.436 1.00 21.41 N ATOM 836 CA ASP A 56 -4.198 -14.702 3.526 1.00 43.21 C ATOM 837 C ASP A 56 -5.031 -13.423 3.539 1.00 73.25 C ATOM 838 O ASP A 56 -6.251 -13.448 3.709 1.00 31.43 O ATOM 839 CB ASP A 56 -5.059 -15.911 3.924 1.00 11.32 C ATOM 840 CG ASP A 56 -5.971 -16.390 2.802 1.00 32.23 C ATOM 841 OD1 ASP A 56 -5.538 -17.256 2.006 1.00 52.12 O ATOM 842 OD2 ASP A 56 -7.125 -15.926 2.718 1.00 2.04 O ATOM 0 H ASP A 56 -3.259 -14.864 5.394 1.00 21.41 H new ATOM 0 HA ASP A 56 -3.825 -14.858 2.514 1.00 43.21 H new ATOM 0 HB2 ASP A 56 -4.407 -16.730 4.229 1.00 11.32 H new ATOM 0 HB3 ASP A 56 -5.666 -15.648 4.790 1.00 11.32 H new ATOM 846 N ARG A 57 -4.359 -12.296 3.382 1.00 4.44 N ATOM 847 CA ARG A 57 -5.016 -11.009 3.325 1.00 11.52 C ATOM 848 C ARG A 57 -4.101 -10.057 2.581 1.00 5.54 C ATOM 849 O ARG A 57 -4.100 -8.858 2.844 1.00 23.22 O ATOM 850 CB ARG A 57 -5.270 -10.490 4.742 1.00 44.24 C ATOM 851 CG ARG A 57 -6.431 -9.512 4.848 1.00 40.34 C ATOM 852 CD ARG A 57 -6.498 -8.875 6.228 1.00 2.24 C ATOM 853 NE ARG A 57 -6.182 -9.829 7.293 1.00 13.14 N ATOM 854 CZ ARG A 57 -7.017 -10.169 8.271 1.00 4.04 C ATOM 855 NH1 ARG A 57 -8.245 -9.662 8.309 1.00 34.22 N ATOM 856 NH2 ARG A 57 -6.617 -11.016 9.215 1.00 11.03 N ATOM 0 H ARG A 57 -3.344 -12.251 3.291 1.00 4.44 H new ATOM 0 HA ARG A 57 -5.976 -11.092 2.815 1.00 11.52 H new ATOM 0 HB2 ARG A 57 -5.463 -11.338 5.399 1.00 44.24 H new ATOM 0 HB3 ARG A 57 -4.365 -10.004 5.107 1.00 44.24 H new ATOM 0 HG2 ARG A 57 -6.323 -8.734 4.092 1.00 40.34 H new ATOM 0 HG3 ARG A 57 -7.366 -10.032 4.640 1.00 40.34 H new ATOM 0 HD2 ARG A 57 -5.802 -8.038 6.274 1.00 2.24 H new ATOM 0 HD3 ARG A 57 -7.496 -8.469 6.391 1.00 2.24 H new ATOM 0 HE ARG A 57 -5.259 -10.262 7.284 1.00 13.14 H new ATOM 0 HH11 ARG A 57 -8.550 -9.010 7.587 1.00 34.22 H new ATOM 0 HH12 ARG A 57 -8.882 -9.925 9.061 1.00 34.22 H new ATOM 0 HH21 ARG A 57 -5.673 -11.402 9.187 1.00 11.03 H new ATOM 0 HH22 ARG A 57 -7.254 -11.280 9.967 1.00 11.03 H new ATOM 867 N VAL A 58 -3.347 -10.615 1.628 1.00 43.35 N ATOM 868 CA VAL A 58 -2.230 -9.917 1.016 1.00 42.02 C ATOM 869 C VAL A 58 -2.664 -8.817 0.042 1.00 21.34 C ATOM 870 O VAL A 58 -3.703 -8.197 0.257 1.00 22.41 O ATOM 871 CB VAL A 58 -1.212 -10.886 0.376 1.00 41.34 C ATOM 872 CG1 VAL A 58 -0.126 -11.230 1.370 1.00 10.14 C ATOM 873 CG2 VAL A 58 -1.889 -12.144 -0.135 1.00 42.21 C ATOM 0 H VAL A 58 -3.499 -11.557 1.267 1.00 43.35 H new ATOM 0 HA VAL A 58 -1.719 -9.410 1.834 1.00 42.02 H new ATOM 0 HB VAL A 58 -0.761 -10.386 -0.481 1.00 41.34 H new ATOM 0 HG11 VAL A 58 0.586 -11.914 0.908 1.00 10.14 H new ATOM 0 HG12 VAL A 58 0.390 -10.320 1.675 1.00 10.14 H new ATOM 0 HG13 VAL A 58 -0.570 -11.705 2.245 1.00 10.14 H new ATOM 0 HG21 VAL A 58 -1.143 -12.804 -0.579 1.00 42.21 H new ATOM 0 HG22 VAL A 58 -2.379 -12.656 0.693 1.00 42.21 H new ATOM 0 HG23 VAL A 58 -2.632 -11.878 -0.887 1.00 42.21 H new ATOM 883 N PRO A 59 -1.956 -8.625 -1.098 1.00 41.43 N ATOM 884 CA PRO A 59 -1.610 -7.312 -1.577 1.00 60.41 C ATOM 885 C PRO A 59 -2.176 -6.189 -0.703 1.00 72.14 C ATOM 886 O PRO A 59 -3.139 -5.511 -1.064 1.00 13.15 O ATOM 887 CB PRO A 59 -2.179 -7.345 -2.988 1.00 11.15 C ATOM 888 CG PRO A 59 -1.993 -8.776 -3.424 1.00 61.32 C ATOM 889 CD PRO A 59 -1.680 -9.584 -2.173 1.00 44.32 C ATOM 0 HA PRO A 59 -0.542 -7.095 -1.551 1.00 60.41 H new ATOM 0 HB2 PRO A 59 -3.230 -7.057 -3.001 1.00 11.15 H new ATOM 0 HB3 PRO A 59 -1.652 -6.655 -3.647 1.00 11.15 H new ATOM 0 HG2 PRO A 59 -2.893 -9.151 -3.910 1.00 61.32 H new ATOM 0 HG3 PRO A 59 -1.182 -8.856 -4.148 1.00 61.32 H new ATOM 0 HD2 PRO A 59 -2.308 -10.472 -2.096 1.00 44.32 H new ATOM 0 HD3 PRO A 59 -0.644 -9.924 -2.158 1.00 44.32 H new ATOM 894 N VAL A 60 -1.566 -6.034 0.470 1.00 60.23 N ATOM 895 CA VAL A 60 -2.102 -5.182 1.521 1.00 42.40 C ATOM 896 C VAL A 60 -1.514 -3.785 1.443 1.00 5.25 C ATOM 897 O VAL A 60 -0.309 -3.612 1.606 1.00 15.13 O ATOM 898 CB VAL A 60 -1.782 -5.758 2.926 1.00 41.52 C ATOM 899 CG1 VAL A 60 -2.864 -5.409 3.927 1.00 5.04 C ATOM 900 CG2 VAL A 60 -1.586 -7.260 2.875 1.00 35.01 C ATOM 0 H VAL A 60 -0.690 -6.495 0.715 1.00 60.23 H new ATOM 0 HA VAL A 60 -3.181 -5.141 1.373 1.00 42.40 H new ATOM 0 HB VAL A 60 -0.849 -5.299 3.254 1.00 41.52 H new ATOM 0 HG11 VAL A 60 -2.608 -5.828 4.900 1.00 5.04 H new ATOM 0 HG12 VAL A 60 -2.948 -4.325 4.009 1.00 5.04 H new ATOM 0 HG13 VAL A 60 -3.816 -5.822 3.593 1.00 5.04 H new ATOM 0 HG21 VAL A 60 -1.363 -7.632 3.875 1.00 35.01 H new ATOM 0 HG22 VAL A 60 -2.496 -7.733 2.506 1.00 35.01 H new ATOM 0 HG23 VAL A 60 -0.758 -7.496 2.207 1.00 35.01 H new ATOM 910 N LEU A 61 -2.352 -2.792 1.182 1.00 72.54 N ATOM 911 CA LEU A 61 -1.909 -1.407 1.231 1.00 30.41 C ATOM 912 C LEU A 61 -1.931 -0.895 2.663 1.00 3.32 C ATOM 913 O LEU A 61 -2.993 -0.593 3.216 1.00 31.12 O ATOM 914 CB LEU A 61 -2.767 -0.510 0.338 1.00 11.54 C ATOM 915 CG LEU A 61 -2.512 -0.654 -1.160 1.00 30.02 C ATOM 916 CD1 LEU A 61 -3.365 0.332 -1.938 1.00 71.41 C ATOM 917 CD2 LEU A 61 -1.038 -0.444 -1.474 1.00 65.50 C ATOM 0 H LEU A 61 -3.334 -2.918 0.936 1.00 72.54 H new ATOM 0 HA LEU A 61 -0.887 -1.374 0.855 1.00 30.41 H new ATOM 0 HB2 LEU A 61 -3.817 -0.726 0.534 1.00 11.54 H new ATOM 0 HB3 LEU A 61 -2.597 0.529 0.622 1.00 11.54 H new ATOM 0 HG LEU A 61 -2.787 -1.665 -1.461 1.00 30.02 H new ATOM 0 HD11 LEU A 61 -3.172 0.217 -3.005 1.00 71.41 H new ATOM 0 HD12 LEU A 61 -4.419 0.139 -1.737 1.00 71.41 H new ATOM 0 HD13 LEU A 61 -3.117 1.348 -1.632 1.00 71.41 H new ATOM 0 HD21 LEU A 61 -0.876 -0.551 -2.547 1.00 65.50 H new ATOM 0 HD22 LEU A 61 -0.738 0.555 -1.159 1.00 65.50 H new ATOM 0 HD23 LEU A 61 -0.443 -1.186 -0.942 1.00 65.50 H new ATOM 928 N PHE A 62 -0.753 -0.823 3.251 1.00 1.52 N ATOM 929 CA PHE A 62 -0.592 -0.325 4.600 1.00 33.41 C ATOM 930 C PHE A 62 -0.234 1.153 4.570 1.00 52.23 C ATOM 931 O PHE A 62 0.714 1.557 3.893 1.00 50.13 O ATOM 932 CB PHE A 62 0.494 -1.128 5.321 1.00 31.50 C ATOM 933 CG PHE A 62 0.852 -0.588 6.673 1.00 23.24 C ATOM 934 CD1 PHE A 62 0.018 -0.790 7.759 1.00 40.32 C ATOM 935 CD2 PHE A 62 2.025 0.127 6.854 1.00 23.21 C ATOM 936 CE1 PHE A 62 0.345 -0.287 9.001 1.00 63.01 C ATOM 937 CE2 PHE A 62 2.358 0.633 8.094 1.00 5.40 C ATOM 938 CZ PHE A 62 1.518 0.424 9.169 1.00 70.01 C ATOM 0 H PHE A 62 0.119 -1.109 2.805 1.00 1.52 H new ATOM 0 HA PHE A 62 -1.531 -0.441 5.142 1.00 33.41 H new ATOM 0 HB2 PHE A 62 0.158 -2.159 5.430 1.00 31.50 H new ATOM 0 HB3 PHE A 62 1.390 -1.149 4.700 1.00 31.50 H new ATOM 0 HD1 PHE A 62 -0.898 -1.347 7.633 1.00 40.32 H new ATOM 0 HD2 PHE A 62 2.686 0.290 6.016 1.00 23.21 H new ATOM 0 HE1 PHE A 62 -0.315 -0.449 9.841 1.00 63.01 H new ATOM 0 HE2 PHE A 62 3.274 1.191 8.223 1.00 5.40 H new ATOM 0 HZ PHE A 62 1.777 0.816 10.141 1.00 70.01 H new ATOM 947 N ALA A 63 -1.007 1.955 5.285 1.00 45.15 N ATOM 948 CA ALA A 63 -0.769 3.386 5.344 1.00 22.12 C ATOM 949 C ALA A 63 0.317 3.711 6.363 1.00 13.24 C ATOM 950 O ALA A 63 0.106 3.599 7.575 1.00 2.03 O ATOM 951 CB ALA A 63 -2.055 4.120 5.679 1.00 33.43 C ATOM 0 H ALA A 63 -1.806 1.637 5.833 1.00 45.15 H new ATOM 0 HA ALA A 63 -0.425 3.719 4.365 1.00 22.12 H new ATOM 0 HB1 ALA A 63 -1.862 5.192 5.720 1.00 33.43 H new ATOM 0 HB2 ALA A 63 -2.802 3.915 4.912 1.00 33.43 H new ATOM 0 HB3 ALA A 63 -2.426 3.781 6.646 1.00 33.43 H new ATOM 957 N VAL A 64 1.484 4.101 5.868 1.00 45.23 N ATOM 958 CA VAL A 64 2.599 4.468 6.731 1.00 53.33 C ATOM 959 C VAL A 64 2.382 5.872 7.283 1.00 63.01 C ATOM 960 O VAL A 64 1.794 6.720 6.603 1.00 22.55 O ATOM 961 CB VAL A 64 3.944 4.403 5.975 1.00 34.30 C ATOM 962 CG1 VAL A 64 5.117 4.730 6.889 1.00 42.33 C ATOM 963 CG2 VAL A 64 4.132 3.035 5.352 1.00 41.21 C ATOM 0 H VAL A 64 1.684 4.172 4.870 1.00 45.23 H new ATOM 0 HA VAL A 64 2.641 3.752 7.552 1.00 53.33 H new ATOM 0 HB VAL A 64 3.917 5.154 5.186 1.00 34.30 H new ATOM 0 HG11 VAL A 64 6.046 4.674 6.322 1.00 42.33 H new ATOM 0 HG12 VAL A 64 4.996 5.736 7.290 1.00 42.33 H new ATOM 0 HG13 VAL A 64 5.149 4.014 7.710 1.00 42.33 H new ATOM 0 HG21 VAL A 64 5.084 3.004 4.822 1.00 41.21 H new ATOM 0 HG22 VAL A 64 4.127 2.275 6.134 1.00 41.21 H new ATOM 0 HG23 VAL A 64 3.321 2.840 4.651 1.00 41.21 H new ATOM 973 N ASN A 65 2.854 6.106 8.511 1.00 74.14 N ATOM 974 CA ASN A 65 2.595 7.357 9.231 1.00 1.33 C ATOM 975 C ASN A 65 1.115 7.438 9.570 1.00 0.23 C ATOM 976 O ASN A 65 0.553 8.520 9.742 1.00 23.31 O ATOM 977 CB ASN A 65 3.024 8.587 8.415 1.00 13.02 C ATOM 978 CG ASN A 65 4.515 8.612 8.118 1.00 24.23 C ATOM 979 OD1 ASN A 65 5.317 8.053 8.862 1.00 72.30 O ATOM 980 ND2 ASN A 65 4.899 9.271 7.033 1.00 52.33 N ATOM 0 H ASN A 65 3.423 5.438 9.032 1.00 74.14 H new ATOM 0 HA ASN A 65 3.188 7.357 10.146 1.00 1.33 H new ATOM 0 HB2 ASN A 65 2.472 8.604 7.475 1.00 13.02 H new ATOM 0 HB3 ASN A 65 2.753 9.491 8.960 1.00 13.02 H new ATOM 0 HD21 ASN A 65 5.889 9.326 6.793 1.00 52.33 H new ATOM 0 HD22 ASN A 65 4.204 9.723 6.438 1.00 52.33 H new ATOM 986 N GLU A 66 0.500 6.269 9.682 1.00 53.12 N ATOM 987 CA GLU A 66 -0.925 6.158 9.934 1.00 24.11 C ATOM 988 C GLU A 66 -1.202 4.887 10.734 1.00 32.13 C ATOM 989 O GLU A 66 -1.967 4.902 11.701 1.00 41.40 O ATOM 990 CB GLU A 66 -1.678 6.118 8.603 1.00 14.14 C ATOM 991 CG GLU A 66 -3.168 6.349 8.737 1.00 35.22 C ATOM 992 CD GLU A 66 -3.485 7.749 9.199 1.00 44.42 C ATOM 993 OE1 GLU A 66 -3.608 8.642 8.340 1.00 71.23 O ATOM 994 OE2 GLU A 66 -3.629 7.962 10.418 1.00 63.11 O ATOM 0 H GLU A 66 0.978 5.372 9.600 1.00 53.12 H new ATOM 0 HA GLU A 66 -1.265 7.020 10.507 1.00 24.11 H new ATOM 0 HB2 GLU A 66 -1.261 6.874 7.937 1.00 14.14 H new ATOM 0 HB3 GLU A 66 -1.511 5.150 8.131 1.00 14.14 H new ATOM 0 HG2 GLU A 66 -3.651 6.166 7.777 1.00 35.22 H new ATOM 0 HG3 GLU A 66 -3.584 5.631 9.444 1.00 35.22 H new ATOM 999 N ASP A 67 -0.572 3.793 10.292 1.00 75.14 N ATOM 1000 CA ASP A 67 -0.577 2.513 11.006 1.00 24.53 C ATOM 1001 C ASP A 67 -1.932 1.814 10.898 1.00 50.12 C ATOM 1002 O ASP A 67 -2.394 1.172 11.841 1.00 44.35 O ATOM 1003 CB ASP A 67 -0.185 2.702 12.476 1.00 3.22 C ATOM 1004 CG ASP A 67 0.511 1.484 13.045 1.00 75.54 C ATOM 1005 OD1 ASP A 67 1.713 1.303 12.764 1.00 55.32 O ATOM 1006 OD2 ASP A 67 -0.127 0.711 13.790 1.00 32.40 O ATOM 0 H ASP A 67 -0.040 3.772 9.422 1.00 75.14 H new ATOM 0 HA ASP A 67 0.167 1.874 10.531 1.00 24.53 H new ATOM 0 HB2 ASP A 67 0.471 3.568 12.567 1.00 3.22 H new ATOM 0 HB3 ASP A 67 -1.078 2.915 13.064 1.00 3.22 H new ATOM 1010 N LYS A 68 -2.555 1.924 9.732 1.00 65.32 N ATOM 1011 CA LYS A 68 -3.816 1.238 9.472 1.00 1.40 C ATOM 1012 C LYS A 68 -3.927 0.891 7.989 1.00 61.40 C ATOM 1013 O LYS A 68 -3.148 1.387 7.173 1.00 35.24 O ATOM 1014 CB LYS A 68 -5.012 2.078 9.955 1.00 10.13 C ATOM 1015 CG LYS A 68 -5.091 3.488 9.387 1.00 63.12 C ATOM 1016 CD LYS A 68 -5.933 3.551 8.120 1.00 74.43 C ATOM 1017 CE LYS A 68 -6.181 4.989 7.685 1.00 65.21 C ATOM 1018 NZ LYS A 68 -6.881 5.776 8.736 1.00 35.04 N ATOM 0 H LYS A 68 -2.209 2.481 8.951 1.00 65.32 H new ATOM 0 HA LYS A 68 -3.833 0.307 10.038 1.00 1.40 H new ATOM 0 HB2 LYS A 68 -5.931 1.550 9.701 1.00 10.13 H new ATOM 0 HB3 LYS A 68 -4.972 2.144 11.042 1.00 10.13 H new ATOM 0 HG2 LYS A 68 -5.515 4.157 10.136 1.00 63.12 H new ATOM 0 HG3 LYS A 68 -4.085 3.848 9.171 1.00 63.12 H new ATOM 0 HD2 LYS A 68 -5.429 3.010 7.320 1.00 74.43 H new ATOM 0 HD3 LYS A 68 -6.887 3.052 8.291 1.00 74.43 H new ATOM 0 HE2 LYS A 68 -5.230 5.465 7.448 1.00 65.21 H new ATOM 0 HE3 LYS A 68 -6.776 4.994 6.772 1.00 65.21 H new ATOM 0 HZ1 LYS A 68 -7.327 6.611 8.305 1.00 35.04 H new ATOM 0 HZ2 LYS A 68 -7.611 5.186 9.183 1.00 35.04 H new ATOM 0 HZ3 LYS A 68 -6.195 6.082 9.455 1.00 35.04 H new ATOM 1028 N GLU A 69 -4.885 0.039 7.646 1.00 43.00 N ATOM 1029 CA GLU A 69 -4.992 -0.486 6.287 1.00 63.54 C ATOM 1030 C GLU A 69 -5.955 0.340 5.439 1.00 60.52 C ATOM 1031 O GLU A 69 -6.816 1.049 5.964 1.00 53.42 O ATOM 1032 CB GLU A 69 -5.470 -1.941 6.316 1.00 64.14 C ATOM 1033 CG GLU A 69 -4.615 -2.853 7.178 1.00 14.13 C ATOM 1034 CD GLU A 69 -5.122 -4.281 7.200 1.00 20.35 C ATOM 1035 OE1 GLU A 69 -6.311 -4.500 6.877 1.00 23.22 O ATOM 1036 OE2 GLU A 69 -4.336 -5.189 7.540 1.00 32.40 O ATOM 0 H GLU A 69 -5.599 -0.304 8.288 1.00 43.00 H new ATOM 0 HA GLU A 69 -4.000 -0.430 5.838 1.00 63.54 H new ATOM 0 HB2 GLU A 69 -6.496 -1.969 6.682 1.00 64.14 H new ATOM 0 HB3 GLU A 69 -5.484 -2.329 5.297 1.00 64.14 H new ATOM 0 HG2 GLU A 69 -3.590 -2.841 6.807 1.00 14.13 H new ATOM 0 HG3 GLU A 69 -4.590 -2.465 8.196 1.00 14.13 H new ATOM 1041 N LEU A 70 -5.794 0.253 4.124 1.00 30.44 N ATOM 1042 CA LEU A 70 -6.727 0.886 3.201 1.00 24.24 C ATOM 1043 C LEU A 70 -7.497 -0.177 2.426 1.00 13.15 C ATOM 1044 O LEU A 70 -8.715 -0.288 2.551 1.00 3.23 O ATOM 1045 CB LEU A 70 -6.003 1.815 2.221 1.00 34.44 C ATOM 1046 CG LEU A 70 -5.076 2.850 2.854 1.00 30.02 C ATOM 1047 CD1 LEU A 70 -4.418 3.680 1.772 1.00 62.45 C ATOM 1048 CD2 LEU A 70 -5.825 3.746 3.829 1.00 1.44 C ATOM 0 H LEU A 70 -5.028 -0.248 3.674 1.00 30.44 H new ATOM 0 HA LEU A 70 -7.421 1.486 3.789 1.00 24.24 H new ATOM 0 HB2 LEU A 70 -5.419 1.204 1.533 1.00 34.44 H new ATOM 0 HB3 LEU A 70 -6.751 2.339 1.626 1.00 34.44 H new ATOM 0 HG LEU A 70 -4.308 2.320 3.418 1.00 30.02 H new ATOM 0 HD11 LEU A 70 -3.758 4.417 2.230 1.00 62.45 H new ATOM 0 HD12 LEU A 70 -3.838 3.030 1.117 1.00 62.45 H new ATOM 0 HD13 LEU A 70 -5.184 4.192 1.189 1.00 62.45 H new ATOM 0 HD21 LEU A 70 -5.135 4.471 4.261 1.00 1.44 H new ATOM 0 HD22 LEU A 70 -6.621 4.272 3.302 1.00 1.44 H new ATOM 0 HD23 LEU A 70 -6.257 3.138 4.624 1.00 1.44 H new ATOM 1059 N CYS A 71 -6.777 -0.971 1.642 1.00 24.31 N ATOM 1060 CA CYS A 71 -7.392 -2.002 0.816 1.00 64.40 C ATOM 1061 C CYS A 71 -6.393 -3.129 0.552 1.00 14.31 C ATOM 1062 O CYS A 71 -5.182 -2.907 0.597 1.00 10.15 O ATOM 1063 CB CYS A 71 -7.874 -1.387 -0.503 1.00 62.10 C ATOM 1064 SG CYS A 71 -8.671 -2.552 -1.634 1.00 70.13 S ATOM 0 H CYS A 71 -5.762 -0.919 1.561 1.00 24.31 H new ATOM 0 HA CYS A 71 -8.250 -2.421 1.342 1.00 64.40 H new ATOM 0 HB2 CYS A 71 -8.575 -0.583 -0.278 1.00 62.10 H new ATOM 0 HB3 CYS A 71 -7.022 -0.935 -1.010 1.00 62.10 H new ATOM 0 HG CYS A 71 -7.793 -3.006 -2.479 1.00 70.13 H new ATOM 1069 N HIS A 72 -6.898 -4.337 0.308 1.00 52.52 N ATOM 1070 CA HIS A 72 -6.035 -5.482 0.026 1.00 5.44 C ATOM 1071 C HIS A 72 -6.489 -6.174 -1.262 1.00 55.34 C ATOM 1072 O HIS A 72 -7.676 -6.135 -1.597 1.00 35.25 O ATOM 1073 CB HIS A 72 -6.043 -6.508 1.178 1.00 54.44 C ATOM 1074 CG HIS A 72 -6.609 -6.015 2.480 1.00 31.02 C ATOM 1075 ND1 HIS A 72 -7.837 -6.413 2.966 1.00 74.42 N ATOM 1076 CD2 HIS A 72 -6.102 -5.171 3.406 1.00 53.45 C ATOM 1077 CE1 HIS A 72 -8.057 -5.834 4.132 1.00 60.00 C ATOM 1078 NE2 HIS A 72 -7.018 -5.075 4.423 1.00 3.02 N ATOM 0 H HIS A 72 -7.896 -4.548 0.300 1.00 52.52 H new ATOM 0 HA HIS A 72 -5.019 -5.102 -0.086 1.00 5.44 H new ATOM 0 HB2 HIS A 72 -6.615 -7.380 0.860 1.00 54.44 H new ATOM 0 HB3 HIS A 72 -5.020 -6.843 1.350 1.00 54.44 H new ATOM 0 HD2 HIS A 72 -5.150 -4.665 3.355 1.00 53.45 H new ATOM 0 HE1 HIS A 72 -8.938 -5.960 4.744 1.00 60.00 H new ATOM 0 HE2 HIS A 72 -6.913 -4.510 5.266 1.00 3.02 H new ATOM 1085 N TYR A 73 -5.531 -6.772 -1.981 1.00 11.33 N ATOM 1086 CA TYR A 73 -5.792 -7.564 -3.202 1.00 63.30 C ATOM 1087 C TYR A 73 -6.125 -6.698 -4.417 1.00 5.14 C ATOM 1088 O TYR A 73 -5.772 -7.041 -5.545 1.00 44.05 O ATOM 1089 CB TYR A 73 -6.918 -8.581 -2.987 1.00 21.24 C ATOM 1090 CG TYR A 73 -6.527 -9.769 -2.141 1.00 62.34 C ATOM 1091 CD1 TYR A 73 -5.833 -10.834 -2.697 1.00 1.03 C ATOM 1092 CD2 TYR A 73 -6.864 -9.833 -0.796 1.00 4.52 C ATOM 1093 CE1 TYR A 73 -5.481 -11.929 -1.936 1.00 5.14 C ATOM 1094 CE2 TYR A 73 -6.515 -10.925 -0.028 1.00 20.52 C ATOM 1095 CZ TYR A 73 -5.825 -11.971 -0.602 1.00 61.22 C ATOM 1096 OH TYR A 73 -5.481 -13.061 0.164 1.00 71.10 O ATOM 0 H TYR A 73 -4.543 -6.723 -1.734 1.00 11.33 H new ATOM 0 HA TYR A 73 -4.860 -8.091 -3.408 1.00 63.30 H new ATOM 0 HB2 TYR A 73 -7.763 -8.077 -2.517 1.00 21.24 H new ATOM 0 HB3 TYR A 73 -7.260 -8.938 -3.958 1.00 21.24 H new ATOM 0 HD1 TYR A 73 -5.564 -10.805 -3.743 1.00 1.03 H new ATOM 0 HD2 TYR A 73 -7.407 -9.016 -0.344 1.00 4.52 H new ATOM 0 HE1 TYR A 73 -4.939 -12.749 -2.383 1.00 5.14 H new ATOM 0 HE2 TYR A 73 -6.781 -10.960 1.018 1.00 20.52 H new ATOM 0 HH TYR A 73 -4.653 -13.456 -0.182 1.00 71.10 H new ATOM 1105 N PHE A 74 -6.790 -5.584 -4.185 1.00 11.51 N ATOM 1106 CA PHE A 74 -7.274 -4.735 -5.253 1.00 15.25 C ATOM 1107 C PHE A 74 -7.104 -3.286 -4.847 1.00 50.55 C ATOM 1108 O PHE A 74 -6.609 -2.999 -3.756 1.00 53.14 O ATOM 1109 CB PHE A 74 -8.744 -5.032 -5.556 1.00 45.03 C ATOM 1110 CG PHE A 74 -8.971 -6.135 -6.551 1.00 64.31 C ATOM 1111 CD1 PHE A 74 -8.839 -5.898 -7.909 1.00 12.42 C ATOM 1112 CD2 PHE A 74 -9.332 -7.406 -6.130 1.00 74.51 C ATOM 1113 CE1 PHE A 74 -9.059 -6.905 -8.828 1.00 31.24 C ATOM 1114 CE2 PHE A 74 -9.555 -8.416 -7.043 1.00 31.02 C ATOM 1115 CZ PHE A 74 -9.417 -8.166 -8.393 1.00 75.41 C ATOM 0 H PHE A 74 -7.010 -5.242 -3.249 1.00 11.51 H new ATOM 0 HA PHE A 74 -6.698 -4.932 -6.157 1.00 15.25 H new ATOM 0 HB2 PHE A 74 -9.247 -5.292 -4.625 1.00 45.03 H new ATOM 0 HB3 PHE A 74 -9.215 -4.122 -5.929 1.00 45.03 H new ATOM 0 HD1 PHE A 74 -8.560 -4.913 -8.254 1.00 12.42 H new ATOM 0 HD2 PHE A 74 -9.440 -7.608 -5.075 1.00 74.51 H new ATOM 0 HE1 PHE A 74 -8.951 -6.707 -9.884 1.00 31.24 H new ATOM 0 HE2 PHE A 74 -9.837 -9.401 -6.702 1.00 31.02 H new ATOM 0 HZ PHE A 74 -9.589 -8.956 -9.109 1.00 75.41 H new ATOM 1124 N LEU A 75 -7.537 -2.376 -5.695 1.00 33.41 N ATOM 1125 CA LEU A 75 -7.316 -0.969 -5.447 1.00 45.53 C ATOM 1126 C LEU A 75 -8.632 -0.210 -5.375 1.00 11.54 C ATOM 1127 O LEU A 75 -9.341 -0.081 -6.373 1.00 30.23 O ATOM 1128 CB LEU A 75 -6.434 -0.383 -6.544 1.00 74.33 C ATOM 1129 CG LEU A 75 -5.929 1.031 -6.270 1.00 41.01 C ATOM 1130 CD1 LEU A 75 -4.896 1.012 -5.159 1.00 24.43 C ATOM 1131 CD2 LEU A 75 -5.353 1.644 -7.530 1.00 31.13 C ATOM 0 H LEU A 75 -8.041 -2.585 -6.557 1.00 33.41 H new ATOM 0 HA LEU A 75 -6.814 -0.867 -4.485 1.00 45.53 H new ATOM 0 HB2 LEU A 75 -5.576 -1.039 -6.690 1.00 74.33 H new ATOM 0 HB3 LEU A 75 -6.995 -0.379 -7.479 1.00 74.33 H new ATOM 0 HG LEU A 75 -6.770 1.646 -5.949 1.00 41.01 H new ATOM 0 HD11 LEU A 75 -4.543 2.026 -4.973 1.00 24.43 H new ATOM 0 HD12 LEU A 75 -5.346 0.612 -4.251 1.00 24.43 H new ATOM 0 HD13 LEU A 75 -4.055 0.384 -5.454 1.00 24.43 H new ATOM 0 HD21 LEU A 75 -4.998 2.652 -7.315 1.00 31.13 H new ATOM 0 HD22 LEU A 75 -4.522 1.034 -7.884 1.00 31.13 H new ATOM 0 HD23 LEU A 75 -6.124 1.687 -8.299 1.00 31.13 H new ATOM 1142 N ASP A 76 -8.963 0.275 -4.188 1.00 44.02 N ATOM 1143 CA ASP A 76 -10.148 1.102 -4.015 1.00 22.34 C ATOM 1144 C ASP A 76 -9.769 2.564 -4.201 1.00 41.24 C ATOM 1145 O ASP A 76 -9.237 3.197 -3.283 1.00 32.22 O ATOM 1146 CB ASP A 76 -10.771 0.890 -2.631 1.00 3.32 C ATOM 1147 CG ASP A 76 -12.187 1.435 -2.547 1.00 20.43 C ATOM 1148 OD1 ASP A 76 -12.371 2.665 -2.664 1.00 64.41 O ATOM 1149 OD2 ASP A 76 -13.126 0.625 -2.382 1.00 60.31 O ATOM 0 H ASP A 76 -8.431 0.111 -3.333 1.00 44.02 H new ATOM 0 HA ASP A 76 -10.889 0.815 -4.762 1.00 22.34 H new ATOM 0 HB2 ASP A 76 -10.779 -0.175 -2.398 1.00 3.32 H new ATOM 0 HB3 ASP A 76 -10.151 1.376 -1.878 1.00 3.32 H new ATOM 1153 N SER A 77 -10.016 3.083 -5.396 1.00 63.42 N ATOM 1154 CA SER A 77 -9.630 4.445 -5.742 1.00 14.33 C ATOM 1155 C SER A 77 -10.322 5.469 -4.850 1.00 72.02 C ATOM 1156 O SER A 77 -9.760 6.520 -4.545 1.00 61.42 O ATOM 1157 CB SER A 77 -9.969 4.727 -7.204 1.00 44.10 C ATOM 1158 OG SER A 77 -9.434 3.730 -8.055 1.00 34.32 O ATOM 0 H SER A 77 -10.485 2.577 -6.147 1.00 63.42 H new ATOM 0 HA SER A 77 -8.555 4.534 -5.588 1.00 14.33 H new ATOM 0 HB2 SER A 77 -11.051 4.772 -7.327 1.00 44.10 H new ATOM 0 HB3 SER A 77 -9.575 5.702 -7.490 1.00 44.10 H new ATOM 0 HG SER A 77 -9.667 3.934 -8.985 1.00 34.32 H new ATOM 1163 N ASP A 78 -11.536 5.155 -4.423 1.00 45.31 N ATOM 1164 CA ASP A 78 -12.330 6.077 -3.625 1.00 51.14 C ATOM 1165 C ASP A 78 -11.701 6.282 -2.248 1.00 32.33 C ATOM 1166 O ASP A 78 -11.520 7.415 -1.798 1.00 55.52 O ATOM 1167 CB ASP A 78 -13.764 5.557 -3.477 1.00 33.10 C ATOM 1168 CG ASP A 78 -14.721 6.616 -2.969 1.00 31.04 C ATOM 1169 OD1 ASP A 78 -14.673 6.955 -1.766 1.00 11.52 O ATOM 1170 OD2 ASP A 78 -15.533 7.121 -3.768 1.00 14.34 O ATOM 0 H ASP A 78 -11.994 4.265 -4.617 1.00 45.31 H new ATOM 0 HA ASP A 78 -12.355 7.037 -4.140 1.00 51.14 H new ATOM 0 HB2 ASP A 78 -14.114 5.190 -4.442 1.00 33.10 H new ATOM 0 HB3 ASP A 78 -13.770 4.709 -2.792 1.00 33.10 H new ATOM 1174 N VAL A 79 -11.347 5.182 -1.595 1.00 33.23 N ATOM 1175 CA VAL A 79 -10.770 5.237 -0.255 1.00 5.22 C ATOM 1176 C VAL A 79 -9.387 5.892 -0.253 1.00 40.51 C ATOM 1177 O VAL A 79 -9.125 6.790 0.549 1.00 70.14 O ATOM 1178 CB VAL A 79 -10.696 3.833 0.384 1.00 11.43 C ATOM 1179 CG1 VAL A 79 -9.879 3.857 1.668 1.00 24.34 C ATOM 1180 CG2 VAL A 79 -12.100 3.320 0.662 1.00 34.14 C ATOM 0 H VAL A 79 -11.449 4.239 -1.971 1.00 33.23 H new ATOM 0 HA VAL A 79 -11.435 5.857 0.346 1.00 5.22 H new ATOM 0 HB VAL A 79 -10.199 3.161 -0.316 1.00 11.43 H new ATOM 0 HG11 VAL A 79 -9.844 2.855 2.096 1.00 24.34 H new ATOM 0 HG12 VAL A 79 -8.866 4.193 1.448 1.00 24.34 H new ATOM 0 HG13 VAL A 79 -10.341 4.540 2.381 1.00 24.34 H new ATOM 0 HG21 VAL A 79 -12.043 2.329 1.113 1.00 34.14 H new ATOM 0 HG22 VAL A 79 -12.607 4.001 1.345 1.00 34.14 H new ATOM 0 HG23 VAL A 79 -12.658 3.262 -0.273 1.00 34.14 H new ATOM 1190 N ILE A 80 -8.503 5.465 -1.149 1.00 64.20 N ATOM 1191 CA ILE A 80 -7.172 6.060 -1.216 1.00 60.31 C ATOM 1192 C ILE A 80 -7.260 7.490 -1.744 1.00 32.55 C ATOM 1193 O ILE A 80 -6.471 8.346 -1.365 1.00 33.53 O ATOM 1194 CB ILE A 80 -6.180 5.230 -2.074 1.00 31.13 C ATOM 1195 CG1 ILE A 80 -4.781 5.850 -2.038 1.00 40.20 C ATOM 1196 CG2 ILE A 80 -6.652 5.115 -3.501 1.00 71.22 C ATOM 1197 CD1 ILE A 80 -4.136 5.781 -0.680 1.00 14.20 C ATOM 0 H ILE A 80 -8.678 4.723 -1.827 1.00 64.20 H new ATOM 0 HA ILE A 80 -6.778 6.067 -0.200 1.00 60.31 H new ATOM 0 HB ILE A 80 -6.136 4.229 -1.645 1.00 31.13 H new ATOM 0 HG12 ILE A 80 -4.146 5.339 -2.761 1.00 40.20 H new ATOM 0 HG13 ILE A 80 -4.845 6.892 -2.350 1.00 40.20 H new ATOM 0 HG21 ILE A 80 -5.935 4.528 -4.075 1.00 71.22 H new ATOM 0 HG22 ILE A 80 -7.625 4.624 -3.524 1.00 71.22 H new ATOM 0 HG23 ILE A 80 -6.738 6.110 -3.937 1.00 71.22 H new ATOM 0 HD11 ILE A 80 -3.147 6.237 -0.723 1.00 14.20 H new ATOM 0 HD12 ILE A 80 -4.752 6.317 0.043 1.00 14.20 H new ATOM 0 HD13 ILE A 80 -4.042 4.739 -0.375 1.00 14.20 H new ATOM 1208 N GLY A 81 -8.246 7.747 -2.597 1.00 70.11 N ATOM 1209 CA GLY A 81 -8.483 9.095 -3.073 1.00 51.21 C ATOM 1210 C GLY A 81 -8.921 10.014 -1.951 1.00 32.24 C ATOM 1211 O GLY A 81 -8.644 11.210 -1.969 1.00 62.22 O ATOM 0 H GLY A 81 -8.886 7.044 -2.967 1.00 70.11 H new ATOM 0 HA2 GLY A 81 -7.573 9.485 -3.530 1.00 51.21 H new ATOM 0 HA3 GLY A 81 -9.248 9.078 -3.850 1.00 51.21 H new ATOM 1215 N ALA A 82 -9.603 9.441 -0.969 1.00 63.24 N ATOM 1216 CA ALA A 82 -10.031 10.180 0.210 1.00 74.32 C ATOM 1217 C ALA A 82 -8.859 10.400 1.164 1.00 70.44 C ATOM 1218 O ALA A 82 -8.730 11.460 1.772 1.00 63.11 O ATOM 1219 CB ALA A 82 -11.157 9.436 0.913 1.00 11.14 C ATOM 0 H ALA A 82 -9.874 8.458 -0.967 1.00 63.24 H new ATOM 0 HA ALA A 82 -10.399 11.156 -0.107 1.00 74.32 H new ATOM 0 HB1 ALA A 82 -11.470 9.997 1.794 1.00 11.14 H new ATOM 0 HB2 ALA A 82 -12.002 9.328 0.233 1.00 11.14 H new ATOM 0 HB3 ALA A 82 -10.807 8.449 1.217 1.00 11.14 H new ATOM 1225 N TYR A 83 -8.000 9.395 1.272 1.00 53.12 N ATOM 1226 CA TYR A 83 -6.859 9.441 2.185 1.00 72.41 C ATOM 1227 C TYR A 83 -5.716 10.274 1.611 1.00 24.23 C ATOM 1228 O TYR A 83 -5.245 11.212 2.242 1.00 0.41 O ATOM 1229 CB TYR A 83 -6.375 8.018 2.492 1.00 2.33 C ATOM 1230 CG TYR A 83 -5.072 7.957 3.258 1.00 20.34 C ATOM 1231 CD1 TYR A 83 -4.989 8.397 4.573 1.00 63.44 C ATOM 1232 CD2 TYR A 83 -3.926 7.453 2.662 1.00 30.23 C ATOM 1233 CE1 TYR A 83 -3.796 8.335 5.270 1.00 62.00 C ATOM 1234 CE2 TYR A 83 -2.729 7.387 3.351 1.00 45.11 C ATOM 1235 CZ TYR A 83 -2.668 7.829 4.654 1.00 42.32 C ATOM 1236 OH TYR A 83 -1.478 7.768 5.341 1.00 20.44 O ATOM 0 H TYR A 83 -8.071 8.530 0.735 1.00 53.12 H new ATOM 0 HA TYR A 83 -7.187 9.918 3.109 1.00 72.41 H new ATOM 0 HB2 TYR A 83 -7.145 7.500 3.065 1.00 2.33 H new ATOM 0 HB3 TYR A 83 -6.257 7.476 1.554 1.00 2.33 H new ATOM 0 HD1 TYR A 83 -5.869 8.793 5.058 1.00 63.44 H new ATOM 0 HD2 TYR A 83 -3.969 7.105 1.640 1.00 30.23 H new ATOM 0 HE1 TYR A 83 -3.747 8.681 6.292 1.00 62.00 H new ATOM 0 HE2 TYR A 83 -1.847 6.991 2.870 1.00 45.11 H new ATOM 0 HH TYR A 83 -0.782 7.400 4.757 1.00 20.44 H new ATOM 1245 N LEU A 84 -5.283 9.921 0.411 1.00 41.12 N ATOM 1246 CA LEU A 84 -4.141 10.565 -0.222 1.00 32.32 C ATOM 1247 C LEU A 84 -4.525 11.937 -0.768 1.00 43.32 C ATOM 1248 O LEU A 84 -3.753 12.891 -0.673 1.00 13.33 O ATOM 1249 CB LEU A 84 -3.609 9.675 -1.354 1.00 43.35 C ATOM 1250 CG LEU A 84 -2.175 9.170 -1.180 1.00 21.44 C ATOM 1251 CD1 LEU A 84 -1.183 10.308 -1.337 1.00 0.33 C ATOM 1252 CD2 LEU A 84 -1.993 8.506 0.173 1.00 5.03 C ATOM 0 H LEU A 84 -5.710 9.184 -0.150 1.00 41.12 H new ATOM 0 HA LEU A 84 -3.360 10.704 0.526 1.00 32.32 H new ATOM 0 HB2 LEU A 84 -4.269 8.813 -1.455 1.00 43.35 H new ATOM 0 HB3 LEU A 84 -3.668 10.233 -2.289 1.00 43.35 H new ATOM 0 HG LEU A 84 -1.986 8.429 -1.957 1.00 21.44 H new ATOM 0 HD11 LEU A 84 -0.170 9.927 -1.210 1.00 0.33 H new ATOM 0 HD12 LEU A 84 -1.284 10.745 -2.331 1.00 0.33 H new ATOM 0 HD13 LEU A 84 -1.382 11.070 -0.584 1.00 0.33 H new ATOM 0 HD21 LEU A 84 -0.965 8.156 0.271 1.00 5.03 H new ATOM 0 HD22 LEU A 84 -2.209 9.225 0.963 1.00 5.03 H new ATOM 0 HD23 LEU A 84 -2.674 7.659 0.257 1.00 5.03 H new ATOM 1263 N SER A 85 -5.738 12.019 -1.317 1.00 55.02 N ATOM 1264 CA SER A 85 -6.237 13.234 -1.949 1.00 32.02 C ATOM 1265 C SER A 85 -5.265 13.743 -3.018 1.00 22.45 C ATOM 1266 O SER A 85 -4.210 13.149 -3.227 1.00 0.00 O ATOM 1267 CB SER A 85 -6.498 14.304 -0.891 1.00 72.30 C ATOM 1268 OG SER A 85 -7.383 13.825 0.114 1.00 50.33 O ATOM 0 H SER A 85 -6.400 11.243 -1.334 1.00 55.02 H new ATOM 0 HA SER A 85 -7.177 13.001 -2.449 1.00 32.02 H new ATOM 0 HB2 SER A 85 -5.555 14.607 -0.435 1.00 72.30 H new ATOM 0 HB3 SER A 85 -6.923 15.190 -1.362 1.00 72.30 H new ATOM 0 HG SER A 85 -7.533 14.528 0.780 1.00 50.33 H new