USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 831 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 60 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 GLN : amide:sc= 0.392 K(o=-1.7,f=-3.2!) USER MOD Set 1.3: A 83 HIS : no HD1:sc= -1.36 K(o=-1.7,f=-2.3) USER MOD Set 1.4: A 86 HIS : no HE2:sc= -0.475 X(o=-1.7,f=-2) USER MOD Set 1.5: A 88 HIS : no HD1:sc= -0.0143 K(o=-1.7,f=-2.3) USER MOD Set 1.6: A 90 TYR OH : rot -50:sc= -0.273 USER MOD Set 2.1: A 77 GLN : amide:sc= -0.383 K(o=-0.74,f=-3.2!) USER MOD Set 2.2: A 91 ASN : amide:sc= -0.357 X(o=-0.74,f=-0.33) USER MOD Set 3.1: A 75 THR OG1 : rot -4:sc= 0.515 USER MOD Set 3.2: A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.0846 K(o=0.085,f=-3.5!) USER MOD Single : A 55 THR OG1 : rot 129:sc= -0.238 USER MOD Single : A 61 LYS NZ :NH3+ -173:sc=-0.00628 (180deg=-0.0834) USER MOD Single : A 66 ASN : amide:sc= -0.505 X(o=-0.5,f=-0.52) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= -0.0254 (180deg=-0.19) USER MOD Single : A 79 TYR OH : rot -45:sc= 0.713 USER MOD Single : A 81 THR OG1 : rot -107:sc= 0.467 USER MOD Single : A 82 SER OG : rot 55:sc= 0.711 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 92:sc= 1.27 USER MOD Single : A 101 SER OG : rot 140:sc= 0.0609 USER MOD Single : A 106 MET CE :methyl 139:sc= -1.06 (180deg=-5.83!) USER MOD Single : A 111 TYR OH : rot 18:sc= 1.39 USER MOD Single : A 112 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.0017) USER MOD Single : A 114 LYS NZ :NH3+ -131:sc= -0.0997 (180deg=-0.491) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.638 X(o=-0.64,f=-0.55) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -115:sc= 1.26 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ -158:sc= 1.8 (180deg=0.892) USER MOD Single : A 134 TYR OH : rot -15:sc= -2.65! USER MOD Single : A 135 TYR OH : rot 180:sc= -0.236 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 146 ASN : amide:sc= -3.18! C(o=-3.2!,f=-10!) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0.25 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ -114:sc= 0.114 (180deg=-0.164) USER MOD Single : A 156 GLN : amide:sc= -1.22! K(o=-1.2!,f=-0.16) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 157 N ALA A 51 -9.428 -9.529 -0.097 1.00 0.80 N ATOM 158 CA ALA A 51 -8.186 -9.568 -0.836 1.00 0.75 C ATOM 159 C ALA A 51 -8.523 -9.270 -2.285 1.00 0.83 C ATOM 160 O ALA A 51 -8.429 -10.144 -3.146 1.00 1.01 O ATOM 161 CB ALA A 51 -7.491 -10.916 -0.709 1.00 0.84 C ATOM 0 HA ALA A 51 -7.491 -8.831 -0.435 1.00 0.75 H new ATOM 0 HB1 ALA A 51 -6.562 -10.902 -1.279 1.00 0.84 H new ATOM 0 HB2 ALA A 51 -7.270 -11.114 0.340 1.00 0.84 H new ATOM 0 HB3 ALA A 51 -8.143 -11.699 -1.096 1.00 0.84 H new ATOM 167 N GLU A 52 -8.994 -8.041 -2.501 1.00 0.75 N ATOM 168 CA GLU A 52 -9.454 -7.555 -3.805 1.00 0.86 C ATOM 169 C GLU A 52 -8.679 -8.142 -4.974 1.00 0.97 C ATOM 170 O GLU A 52 -7.505 -7.830 -5.180 1.00 1.04 O ATOM 171 CB GLU A 52 -9.342 -6.033 -3.873 1.00 0.83 C ATOM 172 CG GLU A 52 -9.888 -5.325 -2.652 1.00 0.91 C ATOM 173 CD GLU A 52 -11.315 -5.730 -2.338 1.00 1.63 C ATOM 174 OE1 GLU A 52 -12.221 -5.373 -3.116 1.00 2.04 O ATOM 175 OE2 GLU A 52 -11.538 -6.424 -1.328 1.00 1.98 O ATOM 0 H GLU A 52 -9.068 -7.342 -1.762 1.00 0.75 H new ATOM 0 HA GLU A 52 -10.491 -7.877 -3.893 1.00 0.86 H new ATOM 0 HB2 GLU A 52 -8.294 -5.761 -4.001 1.00 0.83 H new ATOM 0 HB3 GLU A 52 -9.874 -5.678 -4.756 1.00 0.83 H new ATOM 0 HG2 GLU A 52 -9.254 -5.546 -1.794 1.00 0.91 H new ATOM 0 HG3 GLU A 52 -9.846 -4.248 -2.811 1.00 0.91 H new ATOM 182 N ASN A 53 -9.344 -8.999 -5.728 1.00 1.07 N ATOM 183 CA ASN A 53 -8.804 -9.475 -6.988 1.00 1.20 C ATOM 184 C ASN A 53 -9.226 -8.522 -8.097 1.00 1.20 C ATOM 185 O ASN A 53 -8.672 -8.537 -9.197 1.00 1.34 O ATOM 186 CB ASN A 53 -9.279 -10.899 -7.297 1.00 1.31 C ATOM 187 CG ASN A 53 -10.773 -11.001 -7.561 1.00 1.88 C ATOM 188 OD1 ASN A 53 -11.578 -10.253 -7.004 1.00 2.59 O ATOM 189 ND2 ASN A 53 -11.152 -11.931 -8.420 1.00 2.43 N ATOM 0 H ASN A 53 -10.260 -9.380 -5.489 1.00 1.07 H new ATOM 0 HA ASN A 53 -7.717 -9.503 -6.918 1.00 1.20 H new ATOM 0 HB2 ASN A 53 -8.739 -11.272 -8.167 1.00 1.31 H new ATOM 0 HB3 ASN A 53 -9.022 -11.548 -6.460 1.00 1.31 H new ATOM 0 HD21 ASN A 53 -12.141 -12.048 -8.642 1.00 2.43 H new ATOM 0 HD22 ASN A 53 -10.456 -12.532 -8.861 1.00 2.43 H new ATOM 196 N LEU A 54 -10.216 -7.696 -7.780 1.00 1.12 N ATOM 197 CA LEU A 54 -10.698 -6.668 -8.676 1.00 1.15 C ATOM 198 C LEU A 54 -9.659 -5.563 -8.810 1.00 1.13 C ATOM 199 O LEU A 54 -8.801 -5.399 -7.940 1.00 1.13 O ATOM 200 CB LEU A 54 -11.982 -6.091 -8.093 1.00 1.18 C ATOM 201 CG LEU A 54 -13.086 -5.777 -9.087 1.00 1.18 C ATOM 202 CD1 LEU A 54 -13.583 -7.045 -9.762 1.00 1.28 C ATOM 203 CD2 LEU A 54 -14.210 -5.079 -8.358 1.00 1.81 C ATOM 0 H LEU A 54 -10.706 -7.726 -6.886 1.00 1.12 H new ATOM 0 HA LEU A 54 -10.885 -7.093 -9.662 1.00 1.15 H new ATOM 0 HB2 LEU A 54 -12.372 -6.796 -7.359 1.00 1.18 H new ATOM 0 HB3 LEU A 54 -11.734 -5.176 -7.556 1.00 1.18 H new ATOM 0 HG LEU A 54 -12.698 -5.124 -9.869 1.00 1.18 H new ATOM 0 HD11 LEU A 54 -14.373 -6.795 -10.470 1.00 1.28 H new ATOM 0 HD12 LEU A 54 -12.759 -7.522 -10.292 1.00 1.28 H new ATOM 0 HD13 LEU A 54 -13.974 -7.729 -9.009 1.00 1.28 H new ATOM 0 HD21 LEU A 54 -15.011 -4.847 -9.060 1.00 1.81 H new ATOM 0 HD22 LEU A 54 -14.594 -5.730 -7.572 1.00 1.81 H new ATOM 0 HD23 LEU A 54 -13.838 -4.155 -7.914 1.00 1.81 H new ATOM 215 N THR A 55 -9.740 -4.809 -9.891 1.00 1.16 N ATOM 216 CA THR A 55 -8.849 -3.683 -10.099 1.00 1.21 C ATOM 217 C THR A 55 -9.156 -2.570 -9.090 1.00 1.14 C ATOM 218 O THR A 55 -10.309 -2.358 -8.716 1.00 1.09 O ATOM 219 CB THR A 55 -8.977 -3.162 -11.541 1.00 1.31 C ATOM 220 OG1 THR A 55 -10.352 -3.049 -11.893 1.00 1.30 O ATOM 221 CG2 THR A 55 -8.313 -4.104 -12.520 1.00 1.40 C ATOM 0 H THR A 55 -10.416 -4.957 -10.640 1.00 1.16 H new ATOM 0 HA THR A 55 -7.822 -4.013 -9.944 1.00 1.21 H new ATOM 0 HB THR A 55 -8.488 -2.189 -11.588 1.00 1.31 H new ATOM 0 HG1 THR A 55 -10.524 -2.156 -12.258 1.00 1.30 H new ATOM 0 HG21 THR A 55 -8.419 -3.711 -13.531 1.00 1.40 H new ATOM 0 HG22 THR A 55 -7.255 -4.197 -12.275 1.00 1.40 H new ATOM 0 HG23 THR A 55 -8.786 -5.084 -12.460 1.00 1.40 H new ATOM 229 N PRO A 56 -8.109 -1.859 -8.631 1.00 1.18 N ATOM 230 CA PRO A 56 -8.187 -0.956 -7.468 1.00 1.10 C ATOM 231 C PRO A 56 -9.226 0.158 -7.598 1.00 1.05 C ATOM 232 O PRO A 56 -9.764 0.619 -6.589 1.00 0.97 O ATOM 233 CB PRO A 56 -6.780 -0.359 -7.354 1.00 1.21 C ATOM 234 CG PRO A 56 -6.101 -0.661 -8.644 1.00 1.38 C ATOM 235 CD PRO A 56 -6.758 -1.887 -9.211 1.00 1.34 C ATOM 0 HA PRO A 56 -8.508 -1.513 -6.588 1.00 1.10 H new ATOM 0 HB2 PRO A 56 -6.825 0.716 -7.179 1.00 1.21 H new ATOM 0 HB3 PRO A 56 -6.237 -0.796 -6.516 1.00 1.21 H new ATOM 0 HG2 PRO A 56 -6.192 0.179 -9.333 1.00 1.38 H new ATOM 0 HG3 PRO A 56 -5.036 -0.832 -8.488 1.00 1.38 H new ATOM 0 HD2 PRO A 56 -6.789 -1.857 -10.300 1.00 1.34 H new ATOM 0 HD3 PRO A 56 -6.221 -2.794 -8.932 1.00 1.34 H new ATOM 243 N ASP A 57 -9.515 0.583 -8.822 1.00 1.13 N ATOM 244 CA ASP A 57 -10.518 1.621 -9.046 1.00 1.14 C ATOM 245 C ASP A 57 -11.891 1.028 -8.826 1.00 1.07 C ATOM 246 O ASP A 57 -12.722 1.581 -8.104 1.00 1.05 O ATOM 247 CB ASP A 57 -10.431 2.202 -10.463 1.00 1.30 C ATOM 248 CG ASP A 57 -9.170 3.005 -10.701 1.00 1.61 C ATOM 249 OD1 ASP A 57 -9.162 4.215 -10.395 1.00 1.67 O ATOM 250 OD2 ASP A 57 -8.174 2.431 -11.187 1.00 2.15 O ATOM 0 H ASP A 57 -9.073 0.229 -9.671 1.00 1.13 H new ATOM 0 HA ASP A 57 -10.333 2.434 -8.344 1.00 1.14 H new ATOM 0 HB2 ASP A 57 -10.478 1.388 -11.186 1.00 1.30 H new ATOM 0 HB3 ASP A 57 -11.298 2.838 -10.642 1.00 1.30 H new ATOM 255 N GLU A 58 -12.096 -0.122 -9.450 1.00 1.09 N ATOM 256 CA GLU A 58 -13.304 -0.906 -9.313 1.00 1.05 C ATOM 257 C GLU A 58 -13.620 -1.146 -7.844 1.00 0.93 C ATOM 258 O GLU A 58 -14.775 -1.106 -7.434 1.00 0.93 O ATOM 259 CB GLU A 58 -13.098 -2.239 -10.035 1.00 1.12 C ATOM 260 CG GLU A 58 -13.125 -2.150 -11.559 1.00 1.26 C ATOM 261 CD GLU A 58 -12.527 -0.869 -12.119 1.00 1.83 C ATOM 262 OE1 GLU A 58 -11.291 -0.692 -12.042 1.00 2.17 O ATOM 263 OE2 GLU A 58 -13.292 -0.033 -12.638 1.00 2.54 O ATOM 0 H GLU A 58 -11.410 -0.541 -10.078 1.00 1.09 H new ATOM 0 HA GLU A 58 -14.144 -0.369 -9.753 1.00 1.05 H new ATOM 0 HB2 GLU A 58 -12.141 -2.660 -9.726 1.00 1.12 H new ATOM 0 HB3 GLU A 58 -13.872 -2.935 -9.712 1.00 1.12 H new ATOM 0 HG2 GLU A 58 -12.583 -3.001 -11.971 1.00 1.26 H new ATOM 0 HG3 GLU A 58 -14.157 -2.235 -11.899 1.00 1.26 H new ATOM 270 N VAL A 59 -12.575 -1.375 -7.058 1.00 0.86 N ATOM 271 CA VAL A 59 -12.723 -1.592 -5.622 1.00 0.75 C ATOM 272 C VAL A 59 -13.421 -0.414 -4.960 1.00 0.71 C ATOM 273 O VAL A 59 -14.528 -0.536 -4.434 1.00 0.71 O ATOM 274 CB VAL A 59 -11.351 -1.761 -4.944 1.00 0.72 C ATOM 275 CG1 VAL A 59 -11.504 -1.951 -3.441 1.00 0.63 C ATOM 276 CG2 VAL A 59 -10.586 -2.919 -5.563 1.00 0.82 C ATOM 0 H VAL A 59 -11.612 -1.416 -7.391 1.00 0.86 H new ATOM 0 HA VAL A 59 -13.317 -2.498 -5.502 1.00 0.75 H new ATOM 0 HB VAL A 59 -10.778 -0.849 -5.108 1.00 0.72 H new ATOM 0 HG11 VAL A 59 -10.520 -2.068 -2.987 1.00 0.63 H new ATOM 0 HG12 VAL A 59 -12.000 -1.080 -3.013 1.00 0.63 H new ATOM 0 HG13 VAL A 59 -12.102 -2.841 -3.246 1.00 0.63 H new ATOM 0 HG21 VAL A 59 -9.619 -3.022 -5.070 1.00 0.82 H new ATOM 0 HG22 VAL A 59 -11.156 -3.840 -5.439 1.00 0.82 H new ATOM 0 HG23 VAL A 59 -10.433 -2.728 -6.625 1.00 0.82 H new ATOM 286 N SER A 60 -12.767 0.729 -5.025 1.00 0.70 N ATOM 287 CA SER A 60 -13.196 1.907 -4.337 1.00 0.70 C ATOM 288 C SER A 60 -14.514 2.450 -4.871 1.00 0.74 C ATOM 289 O SER A 60 -15.424 2.754 -4.103 1.00 0.72 O ATOM 290 CB SER A 60 -12.112 2.941 -4.494 1.00 0.76 C ATOM 291 OG SER A 60 -11.062 2.744 -3.564 1.00 0.97 O ATOM 0 H SER A 60 -11.913 0.856 -5.567 1.00 0.70 H new ATOM 0 HA SER A 60 -13.368 1.661 -3.289 1.00 0.70 H new ATOM 0 HB2 SER A 60 -11.713 2.899 -5.508 1.00 0.76 H new ATOM 0 HB3 SER A 60 -12.536 3.936 -4.359 1.00 0.76 H new ATOM 0 HG SER A 60 -10.376 3.431 -3.695 1.00 0.97 H new ATOM 297 N LYS A 61 -14.592 2.588 -6.179 1.00 0.87 N ATOM 298 CA LYS A 61 -15.774 3.134 -6.835 1.00 0.96 C ATOM 299 C LYS A 61 -17.031 2.319 -6.522 1.00 0.94 C ATOM 300 O LYS A 61 -18.090 2.887 -6.268 1.00 1.01 O ATOM 301 CB LYS A 61 -15.551 3.220 -8.347 1.00 1.10 C ATOM 302 CG LYS A 61 -14.394 4.132 -8.723 1.00 1.17 C ATOM 303 CD LYS A 61 -14.175 4.186 -10.225 1.00 1.36 C ATOM 304 CE LYS A 61 -12.937 5.001 -10.577 1.00 2.01 C ATOM 305 NZ LYS A 61 -13.058 6.422 -10.153 1.00 2.54 N ATOM 0 H LYS A 61 -13.843 2.327 -6.820 1.00 0.87 H new ATOM 0 HA LYS A 61 -15.933 4.138 -6.442 1.00 0.96 H new ATOM 0 HB2 LYS A 61 -15.362 2.221 -8.739 1.00 1.10 H new ATOM 0 HB3 LYS A 61 -16.462 3.582 -8.824 1.00 1.10 H new ATOM 0 HG2 LYS A 61 -14.589 5.137 -8.349 1.00 1.17 H new ATOM 0 HG3 LYS A 61 -13.484 3.782 -8.237 1.00 1.17 H new ATOM 0 HD2 LYS A 61 -14.069 3.174 -10.615 1.00 1.36 H new ATOM 0 HD3 LYS A 61 -15.050 4.624 -10.706 1.00 1.36 H new ATOM 0 HE2 LYS A 61 -12.064 4.555 -10.101 1.00 2.01 H new ATOM 0 HE3 LYS A 61 -12.770 4.958 -11.653 1.00 2.01 H new ATOM 0 HZ1 LYS A 61 -12.248 6.963 -10.517 1.00 2.54 H new ATOM 0 HZ2 LYS A 61 -13.940 6.823 -10.531 1.00 2.54 H new ATOM 0 HZ3 LYS A 61 -13.071 6.474 -9.114 1.00 2.54 H new ATOM 319 N ARG A 62 -16.911 0.993 -6.519 1.00 0.88 N ATOM 320 CA ARG A 62 -18.055 0.131 -6.242 1.00 0.89 C ATOM 321 C ARG A 62 -18.502 0.244 -4.787 1.00 0.77 C ATOM 322 O ARG A 62 -19.695 0.178 -4.496 1.00 0.82 O ATOM 323 CB ARG A 62 -17.745 -1.330 -6.572 1.00 0.93 C ATOM 324 CG ARG A 62 -17.675 -1.625 -8.059 1.00 1.21 C ATOM 325 CD ARG A 62 -17.492 -3.107 -8.313 1.00 1.21 C ATOM 326 NE ARG A 62 -17.361 -3.419 -9.735 1.00 1.85 N ATOM 327 CZ ARG A 62 -17.261 -4.655 -10.221 1.00 2.40 C ATOM 328 NH1 ARG A 62 -17.347 -5.705 -9.412 1.00 2.53 N ATOM 329 NH2 ARG A 62 -17.092 -4.834 -11.524 1.00 3.33 N ATOM 0 H ARG A 62 -16.040 0.496 -6.704 1.00 0.88 H new ATOM 0 HA ARG A 62 -18.868 0.471 -6.884 1.00 0.89 H new ATOM 0 HB2 ARG A 62 -16.794 -1.602 -6.113 1.00 0.93 H new ATOM 0 HB3 ARG A 62 -18.509 -1.964 -6.122 1.00 0.93 H new ATOM 0 HG2 ARG A 62 -18.588 -1.280 -8.545 1.00 1.21 H new ATOM 0 HG3 ARG A 62 -16.848 -1.072 -8.504 1.00 1.21 H new ATOM 0 HD2 ARG A 62 -16.605 -3.456 -7.784 1.00 1.21 H new ATOM 0 HD3 ARG A 62 -18.343 -3.651 -7.902 1.00 1.21 H new ATOM 0 HE ARG A 62 -17.345 -2.642 -10.396 1.00 1.85 H new ATOM 0 HH11 ARG A 62 -17.491 -5.568 -8.412 1.00 2.53 H new ATOM 0 HH12 ARG A 62 -17.270 -6.649 -9.791 1.00 2.53 H new ATOM 0 HH21 ARG A 62 -17.039 -4.028 -12.147 1.00 3.33 H new ATOM 0 HH22 ARG A 62 -17.015 -5.778 -11.903 1.00 3.33 H new ATOM 343 N GLU A 63 -17.548 0.412 -3.879 1.00 0.68 N ATOM 344 CA GLU A 63 -17.867 0.508 -2.459 1.00 0.63 C ATOM 345 C GLU A 63 -18.207 1.941 -2.069 1.00 0.66 C ATOM 346 O GLU A 63 -18.678 2.203 -0.962 1.00 0.73 O ATOM 347 CB GLU A 63 -16.714 -0.028 -1.609 1.00 0.59 C ATOM 348 CG GLU A 63 -15.400 0.725 -1.756 1.00 0.58 C ATOM 349 CD GLU A 63 -14.298 0.085 -0.943 1.00 0.65 C ATOM 350 OE1 GLU A 63 -14.212 0.411 0.257 1.00 1.25 O ATOM 351 OE2 GLU A 63 -13.560 -0.742 -1.465 1.00 1.21 O ATOM 0 H GLU A 63 -16.554 0.484 -4.098 1.00 0.68 H new ATOM 0 HA GLU A 63 -18.746 -0.107 -2.269 1.00 0.63 H new ATOM 0 HB2 GLU A 63 -17.014 -0.004 -0.561 1.00 0.59 H new ATOM 0 HB3 GLU A 63 -16.547 -1.073 -1.869 1.00 0.59 H new ATOM 0 HG2 GLU A 63 -15.110 0.750 -2.806 1.00 0.58 H new ATOM 0 HG3 GLU A 63 -15.535 1.759 -1.437 1.00 0.58 H new ATOM 358 N GLY A 64 -17.937 2.864 -2.978 1.00 0.69 N ATOM 359 CA GLY A 64 -18.330 4.251 -2.790 1.00 0.74 C ATOM 360 C GLY A 64 -17.357 5.039 -1.934 1.00 0.72 C ATOM 361 O GLY A 64 -17.481 6.257 -1.805 1.00 0.86 O ATOM 0 H GLY A 64 -17.447 2.678 -3.853 1.00 0.69 H new ATOM 0 HA2 GLY A 64 -18.418 4.732 -3.764 1.00 0.74 H new ATOM 0 HA3 GLY A 64 -19.317 4.282 -2.329 1.00 0.74 H new ATOM 365 N ILE A 65 -16.395 4.344 -1.344 1.00 0.62 N ATOM 366 CA ILE A 65 -15.409 4.967 -0.489 1.00 0.67 C ATOM 367 C ILE A 65 -14.522 5.939 -1.248 1.00 0.81 C ATOM 368 O ILE A 65 -14.298 7.059 -0.792 1.00 1.76 O ATOM 369 CB ILE A 65 -14.588 3.873 0.224 1.00 0.61 C ATOM 370 CG1 ILE A 65 -15.274 3.536 1.533 1.00 0.53 C ATOM 371 CG2 ILE A 65 -13.137 4.259 0.445 1.00 0.89 C ATOM 372 CD1 ILE A 65 -14.575 4.083 2.762 1.00 0.49 C ATOM 0 H ILE A 65 -16.281 3.336 -1.447 1.00 0.62 H new ATOM 0 HA ILE A 65 -15.927 5.564 0.261 1.00 0.67 H new ATOM 0 HB ILE A 65 -14.554 2.996 -0.423 1.00 0.61 H new ATOM 0 HG12 ILE A 65 -16.293 3.923 1.506 1.00 0.53 H new ATOM 0 HG13 ILE A 65 -15.347 2.452 1.623 1.00 0.53 H new ATOM 0 HG21 ILE A 65 -12.617 3.445 0.951 1.00 0.89 H new ATOM 0 HG22 ILE A 65 -12.661 4.452 -0.517 1.00 0.89 H new ATOM 0 HG23 ILE A 65 -13.089 5.158 1.060 1.00 0.89 H new ATOM 0 HD11 ILE A 65 -15.131 3.796 3.655 1.00 0.49 H new ATOM 0 HD12 ILE A 65 -13.565 3.676 2.817 1.00 0.49 H new ATOM 0 HD13 ILE A 65 -14.525 5.170 2.699 1.00 0.49 H new ATOM 384 N ASN A 66 -14.033 5.483 -2.408 1.00 0.75 N ATOM 385 CA ASN A 66 -13.255 6.289 -3.369 1.00 0.69 C ATOM 386 C ASN A 66 -12.065 7.030 -2.744 1.00 0.61 C ATOM 387 O ASN A 66 -11.378 7.789 -3.430 1.00 0.64 O ATOM 388 CB ASN A 66 -14.161 7.273 -4.133 1.00 0.83 C ATOM 389 CG ASN A 66 -14.574 8.503 -3.336 1.00 1.38 C ATOM 390 OD1 ASN A 66 -15.624 8.513 -2.693 1.00 2.09 O ATOM 391 ND2 ASN A 66 -13.771 9.554 -3.394 1.00 2.10 N ATOM 0 H ASN A 66 -14.168 4.520 -2.716 1.00 0.75 H new ATOM 0 HA ASN A 66 -12.831 5.571 -4.071 1.00 0.69 H new ATOM 0 HB2 ASN A 66 -13.643 7.598 -5.035 1.00 0.83 H new ATOM 0 HB3 ASN A 66 -15.059 6.745 -4.454 1.00 0.83 H new ATOM 0 HD21 ASN A 66 -14.014 10.410 -2.895 1.00 2.10 H new ATOM 0 HD22 ASN A 66 -12.909 9.508 -3.937 1.00 2.10 H new ATOM 398 N ALA A 67 -11.815 6.803 -1.463 1.00 0.54 N ATOM 399 CA ALA A 67 -10.699 7.434 -0.774 1.00 0.49 C ATOM 400 C ALA A 67 -9.382 6.797 -1.203 1.00 0.44 C ATOM 401 O ALA A 67 -9.367 5.651 -1.662 1.00 0.45 O ATOM 402 CB ALA A 67 -10.901 7.320 0.726 1.00 0.47 C ATOM 0 H ALA A 67 -12.374 6.183 -0.877 1.00 0.54 H new ATOM 0 HA ALA A 67 -10.658 8.490 -1.040 1.00 0.49 H new ATOM 0 HB1 ALA A 67 -10.065 7.792 1.243 1.00 0.47 H new ATOM 0 HB2 ALA A 67 -11.829 7.817 1.007 1.00 0.47 H new ATOM 0 HB3 ALA A 67 -10.953 6.268 1.007 1.00 0.47 H new ATOM 408 N GLU A 68 -8.282 7.536 -1.066 1.00 0.44 N ATOM 409 CA GLU A 68 -6.993 7.054 -1.539 1.00 0.42 C ATOM 410 C GLU A 68 -6.527 5.865 -0.712 1.00 0.34 C ATOM 411 O GLU A 68 -6.499 5.908 0.519 1.00 0.35 O ATOM 412 CB GLU A 68 -5.927 8.165 -1.575 1.00 0.50 C ATOM 413 CG GLU A 68 -5.503 8.709 -0.223 1.00 0.78 C ATOM 414 CD GLU A 68 -6.551 9.597 0.410 1.00 1.79 C ATOM 415 OE1 GLU A 68 -6.970 10.578 -0.241 1.00 2.28 O ATOM 416 OE2 GLU A 68 -6.957 9.334 1.557 1.00 2.59 O ATOM 0 H GLU A 68 -8.260 8.461 -0.636 1.00 0.44 H new ATOM 0 HA GLU A 68 -7.130 6.724 -2.569 1.00 0.42 H new ATOM 0 HB2 GLU A 68 -5.044 7.781 -2.085 1.00 0.50 H new ATOM 0 HB3 GLU A 68 -6.308 8.991 -2.176 1.00 0.50 H new ATOM 0 HG2 GLU A 68 -5.287 7.876 0.446 1.00 0.78 H new ATOM 0 HG3 GLU A 68 -4.578 9.273 -0.338 1.00 0.78 H new ATOM 423 N GLN A 69 -6.187 4.799 -1.415 1.00 0.31 N ATOM 424 CA GLN A 69 -5.864 3.523 -0.800 1.00 0.24 C ATOM 425 C GLN A 69 -4.470 3.548 -0.200 1.00 0.21 C ATOM 426 O GLN A 69 -3.472 3.441 -0.911 1.00 0.27 O ATOM 427 CB GLN A 69 -6.000 2.416 -1.844 1.00 0.29 C ATOM 428 CG GLN A 69 -7.433 2.236 -2.316 1.00 0.43 C ATOM 429 CD GLN A 69 -7.541 1.667 -3.720 1.00 0.80 C ATOM 430 OE1 GLN A 69 -6.686 1.907 -4.575 1.00 1.64 O ATOM 431 NE2 GLN A 69 -8.598 0.910 -3.965 1.00 0.76 N ATOM 0 H GLN A 69 -6.127 4.794 -2.433 1.00 0.31 H new ATOM 0 HA GLN A 69 -6.560 3.328 0.016 1.00 0.24 H new ATOM 0 HB2 GLN A 69 -5.365 2.647 -2.699 1.00 0.29 H new ATOM 0 HB3 GLN A 69 -5.639 1.478 -1.423 1.00 0.29 H new ATOM 0 HG2 GLN A 69 -7.955 1.576 -1.624 1.00 0.43 H new ATOM 0 HG3 GLN A 69 -7.942 3.199 -2.283 1.00 0.43 H new ATOM 0 HE21 GLN A 69 -9.282 0.736 -3.229 1.00 0.76 H new ATOM 0 HE22 GLN A 69 -8.728 0.500 -4.890 1.00 0.76 H new ATOM 440 N ILE A 70 -4.420 3.705 1.115 1.00 0.19 N ATOM 441 CA ILE A 70 -3.166 3.834 1.840 1.00 0.17 C ATOM 442 C ILE A 70 -2.705 2.481 2.374 1.00 0.14 C ATOM 443 O ILE A 70 -3.183 2.023 3.405 1.00 0.14 O ATOM 444 CB ILE A 70 -3.330 4.822 3.014 1.00 0.21 C ATOM 445 CG1 ILE A 70 -3.960 6.121 2.505 1.00 0.27 C ATOM 446 CG2 ILE A 70 -1.986 5.096 3.677 1.00 0.21 C ATOM 447 CD1 ILE A 70 -4.288 7.121 3.588 1.00 0.36 C ATOM 0 H ILE A 70 -5.248 3.746 1.709 1.00 0.19 H new ATOM 0 HA ILE A 70 -2.413 4.213 1.149 1.00 0.17 H new ATOM 0 HB ILE A 70 -3.987 4.380 3.763 1.00 0.21 H new ATOM 0 HG12 ILE A 70 -3.279 6.586 1.792 1.00 0.27 H new ATOM 0 HG13 ILE A 70 -4.874 5.879 1.962 1.00 0.27 H new ATOM 0 HG21 ILE A 70 -2.123 5.795 4.502 1.00 0.21 H new ATOM 0 HG22 ILE A 70 -1.571 4.163 4.057 1.00 0.21 H new ATOM 0 HG23 ILE A 70 -1.301 5.527 2.947 1.00 0.21 H new ATOM 0 HD11 ILE A 70 -4.730 8.011 3.140 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -4.995 6.679 4.290 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -3.376 7.396 4.117 1.00 0.36 H new ATOM 459 N VAL A 71 -1.788 1.841 1.664 1.00 0.15 N ATOM 460 CA VAL A 71 -1.282 0.534 2.062 1.00 0.15 C ATOM 461 C VAL A 71 -0.514 0.634 3.381 1.00 0.14 C ATOM 462 O VAL A 71 0.573 1.208 3.438 1.00 0.17 O ATOM 463 CB VAL A 71 -0.372 -0.086 0.973 1.00 0.18 C ATOM 464 CG1 VAL A 71 0.145 -1.446 1.405 1.00 0.19 C ATOM 465 CG2 VAL A 71 -1.105 -0.205 -0.356 1.00 0.20 C ATOM 0 H VAL A 71 -1.377 2.207 0.805 1.00 0.15 H new ATOM 0 HA VAL A 71 -2.145 -0.119 2.194 1.00 0.15 H new ATOM 0 HB VAL A 71 0.478 0.583 0.839 1.00 0.18 H new ATOM 0 HG11 VAL A 71 0.781 -1.859 0.622 1.00 0.19 H new ATOM 0 HG12 VAL A 71 0.722 -1.341 2.324 1.00 0.19 H new ATOM 0 HG13 VAL A 71 -0.696 -2.116 1.580 1.00 0.19 H new ATOM 0 HG21 VAL A 71 -0.440 -0.644 -1.100 1.00 0.20 H new ATOM 0 HG22 VAL A 71 -1.981 -0.841 -0.232 1.00 0.20 H new ATOM 0 HG23 VAL A 71 -1.419 0.785 -0.688 1.00 0.20 H new ATOM 475 N ILE A 72 -1.103 0.089 4.437 1.00 0.14 N ATOM 476 CA ILE A 72 -0.498 0.113 5.764 1.00 0.17 C ATOM 477 C ILE A 72 0.306 -1.152 6.023 1.00 0.22 C ATOM 478 O ILE A 72 1.237 -1.158 6.828 1.00 0.29 O ATOM 479 CB ILE A 72 -1.565 0.256 6.867 1.00 0.18 C ATOM 480 CG1 ILE A 72 -2.691 -0.757 6.642 1.00 0.19 C ATOM 481 CG2 ILE A 72 -2.102 1.676 6.900 1.00 0.19 C ATOM 482 CD1 ILE A 72 -3.729 -0.781 7.738 1.00 0.21 C ATOM 0 H ILE A 72 -2.008 -0.380 4.400 1.00 0.14 H new ATOM 0 HA ILE A 72 0.165 0.978 5.791 1.00 0.17 H new ATOM 0 HB ILE A 72 -1.108 0.048 7.835 1.00 0.18 H new ATOM 0 HG12 ILE A 72 -3.183 -0.532 5.696 1.00 0.19 H new ATOM 0 HG13 ILE A 72 -2.256 -1.752 6.547 1.00 0.19 H new ATOM 0 HG21 ILE A 72 -2.855 1.762 7.684 1.00 0.19 H new ATOM 0 HG22 ILE A 72 -1.286 2.369 7.103 1.00 0.19 H new ATOM 0 HG23 ILE A 72 -2.552 1.917 5.937 1.00 0.19 H new ATOM 0 HD11 ILE A 72 -4.490 -1.524 7.502 1.00 0.21 H new ATOM 0 HD12 ILE A 72 -3.253 -1.037 8.684 1.00 0.21 H new ATOM 0 HD13 ILE A 72 -4.194 0.201 7.820 1.00 0.21 H new ATOM 494 N LYS A 73 -0.071 -2.224 5.345 1.00 0.21 N ATOM 495 CA LYS A 73 0.626 -3.493 5.459 1.00 0.26 C ATOM 496 C LYS A 73 0.754 -4.147 4.095 1.00 0.24 C ATOM 497 O LYS A 73 -0.156 -4.061 3.274 1.00 0.25 O ATOM 498 CB LYS A 73 -0.109 -4.426 6.427 1.00 0.35 C ATOM 499 CG LYS A 73 0.284 -5.892 6.279 1.00 0.41 C ATOM 500 CD LYS A 73 -0.234 -6.743 7.424 1.00 0.59 C ATOM 501 CE LYS A 73 0.366 -6.320 8.756 1.00 1.22 C ATOM 502 NZ LYS A 73 1.845 -6.490 8.784 1.00 1.94 N ATOM 0 H LYS A 73 -0.864 -2.239 4.704 1.00 0.21 H new ATOM 0 HA LYS A 73 1.625 -3.304 5.853 1.00 0.26 H new ATOM 0 HB2 LYS A 73 0.092 -4.106 7.450 1.00 0.35 H new ATOM 0 HB3 LYS A 73 -1.183 -4.329 6.267 1.00 0.35 H new ATOM 0 HG2 LYS A 73 -0.106 -6.277 5.337 1.00 0.41 H new ATOM 0 HG3 LYS A 73 1.370 -5.972 6.231 1.00 0.41 H new ATOM 0 HD2 LYS A 73 -1.320 -6.665 7.473 1.00 0.59 H new ATOM 0 HD3 LYS A 73 0.002 -7.790 7.235 1.00 0.59 H new ATOM 0 HE2 LYS A 73 0.118 -5.276 8.950 1.00 1.22 H new ATOM 0 HE3 LYS A 73 -0.081 -6.908 9.557 1.00 1.22 H new ATOM 0 HZ1 LYS A 73 2.188 -6.387 9.760 1.00 1.94 H new ATOM 0 HZ2 LYS A 73 2.093 -7.435 8.428 1.00 1.94 H new ATOM 0 HZ3 LYS A 73 2.289 -5.767 8.183 1.00 1.94 H new ATOM 516 N ILE A 74 1.879 -4.803 3.864 1.00 0.28 N ATOM 517 CA ILE A 74 2.116 -5.488 2.604 1.00 0.31 C ATOM 518 C ILE A 74 2.480 -6.941 2.868 1.00 0.38 C ATOM 519 O ILE A 74 3.059 -7.265 3.905 1.00 0.41 O ATOM 520 CB ILE A 74 3.262 -4.867 1.779 1.00 0.35 C ATOM 521 CG1 ILE A 74 3.284 -3.341 1.868 1.00 0.38 C ATOM 522 CG2 ILE A 74 3.130 -5.299 0.326 1.00 0.40 C ATOM 523 CD1 ILE A 74 4.558 -2.738 1.319 1.00 0.44 C ATOM 0 H ILE A 74 2.644 -4.876 4.534 1.00 0.28 H new ATOM 0 HA ILE A 74 1.192 -5.396 2.034 1.00 0.31 H new ATOM 0 HB ILE A 74 4.202 -5.227 2.196 1.00 0.35 H new ATOM 0 HG12 ILE A 74 2.432 -2.938 1.321 1.00 0.38 H new ATOM 0 HG13 ILE A 74 3.165 -3.041 2.909 1.00 0.38 H new ATOM 0 HG21 ILE A 74 3.939 -4.861 -0.259 1.00 0.40 H new ATOM 0 HG22 ILE A 74 3.184 -6.386 0.263 1.00 0.40 H new ATOM 0 HG23 ILE A 74 2.172 -4.960 -0.069 1.00 0.40 H new ATOM 0 HD11 ILE A 74 4.515 -1.653 1.409 1.00 0.44 H new ATOM 0 HD12 ILE A 74 5.411 -3.116 1.882 1.00 0.44 H new ATOM 0 HD13 ILE A 74 4.667 -3.011 0.269 1.00 0.44 H new ATOM 535 N THR A 75 2.141 -7.801 1.928 1.00 0.45 N ATOM 536 CA THR A 75 2.483 -9.208 1.990 1.00 0.54 C ATOM 537 C THR A 75 2.824 -9.706 0.590 1.00 0.60 C ATOM 538 O THR A 75 2.782 -8.928 -0.365 1.00 0.71 O ATOM 539 CB THR A 75 1.320 -10.035 2.579 1.00 0.69 C ATOM 540 OG1 THR A 75 0.095 -9.697 1.912 1.00 0.79 O ATOM 541 CG2 THR A 75 1.170 -9.785 4.074 1.00 0.72 C ATOM 0 H THR A 75 1.616 -7.541 1.093 1.00 0.45 H new ATOM 0 HA THR A 75 3.347 -9.330 2.644 1.00 0.54 H new ATOM 0 HB THR A 75 1.544 -11.091 2.426 1.00 0.69 H new ATOM 0 HG1 THR A 75 0.259 -8.970 1.276 1.00 0.79 H new ATOM 0 HG21 THR A 75 0.343 -10.381 4.461 1.00 0.72 H new ATOM 0 HG22 THR A 75 2.091 -10.067 4.584 1.00 0.72 H new ATOM 0 HG23 THR A 75 0.968 -8.728 4.248 1.00 0.72 H new ATOM 549 N ASP A 76 3.172 -10.976 0.450 1.00 0.70 N ATOM 550 CA ASP A 76 3.436 -11.526 -0.872 1.00 0.82 C ATOM 551 C ASP A 76 2.124 -11.801 -1.597 1.00 0.90 C ATOM 552 O ASP A 76 2.062 -11.776 -2.827 1.00 1.08 O ATOM 553 CB ASP A 76 4.275 -12.806 -0.792 1.00 1.00 C ATOM 554 CG ASP A 76 3.537 -13.969 -0.161 1.00 1.46 C ATOM 555 OD1 ASP A 76 3.581 -14.102 1.079 1.00 2.15 O ATOM 556 OD2 ASP A 76 2.918 -14.760 -0.904 1.00 2.01 O ATOM 0 H ASP A 76 3.277 -11.636 1.221 1.00 0.70 H new ATOM 0 HA ASP A 76 4.009 -10.787 -1.433 1.00 0.82 H new ATOM 0 HB2 ASP A 76 4.592 -13.088 -1.796 1.00 1.00 H new ATOM 0 HB3 ASP A 76 5.179 -12.604 -0.218 1.00 1.00 H new ATOM 561 N GLN A 77 1.075 -12.042 -0.822 1.00 0.94 N ATOM 562 CA GLN A 77 -0.242 -12.336 -1.369 1.00 1.14 C ATOM 563 C GLN A 77 -0.941 -11.051 -1.816 1.00 1.11 C ATOM 564 O GLN A 77 -1.747 -11.057 -2.748 1.00 1.49 O ATOM 565 CB GLN A 77 -1.064 -13.093 -0.312 1.00 1.36 C ATOM 566 CG GLN A 77 -2.466 -13.470 -0.735 1.00 1.89 C ATOM 567 CD GLN A 77 -3.530 -12.528 -0.196 1.00 2.52 C ATOM 568 OE1 GLN A 77 -3.288 -11.347 0.028 1.00 2.98 O ATOM 569 NE2 GLN A 77 -4.725 -13.055 0.013 1.00 3.19 N ATOM 0 H GLN A 77 1.112 -12.039 0.197 1.00 0.94 H new ATOM 0 HA GLN A 77 -0.142 -12.966 -2.253 1.00 1.14 H new ATOM 0 HB2 GLN A 77 -0.527 -14.002 -0.040 1.00 1.36 H new ATOM 0 HB3 GLN A 77 -1.126 -12.478 0.586 1.00 1.36 H new ATOM 0 HG2 GLN A 77 -2.519 -13.482 -1.824 1.00 1.89 H new ATOM 0 HG3 GLN A 77 -2.681 -14.483 -0.394 1.00 1.89 H new ATOM 0 HE21 GLN A 77 -4.889 -14.042 -0.185 1.00 3.19 H new ATOM 0 HE22 GLN A 77 -5.483 -12.474 0.372 1.00 3.19 H new ATOM 578 N GLY A 78 -0.592 -9.947 -1.174 1.00 0.78 N ATOM 579 CA GLY A 78 -1.184 -8.666 -1.504 1.00 0.78 C ATOM 580 C GLY A 78 -0.843 -7.616 -0.473 1.00 0.72 C ATOM 581 O GLY A 78 0.275 -7.586 0.036 1.00 0.99 O ATOM 0 H GLY A 78 0.097 -9.915 -0.423 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -0.832 -8.343 -2.484 1.00 0.78 H new ATOM 0 HA3 GLY A 78 -2.267 -8.771 -1.573 1.00 0.78 H new ATOM 585 N TYR A 79 -1.798 -6.769 -0.138 1.00 0.43 N ATOM 586 CA TYR A 79 -1.578 -5.752 0.878 1.00 0.36 C ATOM 587 C TYR A 79 -2.865 -5.413 1.585 1.00 0.28 C ATOM 588 O TYR A 79 -3.942 -5.863 1.199 1.00 0.28 O ATOM 589 CB TYR A 79 -0.990 -4.470 0.285 1.00 0.40 C ATOM 590 CG TYR A 79 -1.818 -3.841 -0.813 1.00 1.14 C ATOM 591 CD1 TYR A 79 -3.029 -3.284 -0.504 1.00 1.23 C ATOM 592 CD2 TYR A 79 -1.396 -3.801 -2.136 1.00 2.36 C ATOM 593 CE1 TYR A 79 -3.823 -2.695 -1.465 1.00 1.86 C ATOM 594 CE2 TYR A 79 -2.179 -3.217 -3.112 1.00 3.09 C ATOM 595 CZ TYR A 79 -3.281 -2.709 -2.882 1.00 2.67 C ATOM 596 OH TYR A 79 -4.173 -2.075 -3.738 1.00 3.47 O ATOM 0 H TYR A 79 -2.730 -6.763 -0.551 1.00 0.43 H new ATOM 0 HA TYR A 79 -0.864 -6.170 1.588 1.00 0.36 H new ATOM 0 HB2 TYR A 79 -0.861 -3.742 1.086 1.00 0.40 H new ATOM 0 HB3 TYR A 79 0.002 -4.690 -0.108 1.00 0.40 H new ATOM 0 HD1 TYR A 79 -3.372 -3.306 0.520 1.00 1.23 H new ATOM 0 HD2 TYR A 79 -0.443 -4.232 -2.405 1.00 2.36 H new ATOM 0 HE1 TYR A 79 -4.776 -2.249 -1.223 1.00 1.86 H new ATOM 0 HE2 TYR A 79 -1.809 -3.204 -4.127 1.00 3.09 H new ATOM 0 HH TYR A 79 -5.083 -2.385 -3.550 1.00 3.47 H new ATOM 606 N VAL A 80 -2.751 -4.597 2.609 1.00 0.29 N ATOM 607 CA VAL A 80 -3.911 -4.085 3.288 1.00 0.27 C ATOM 608 C VAL A 80 -3.813 -2.573 3.376 1.00 0.21 C ATOM 609 O VAL A 80 -2.780 -2.034 3.776 1.00 0.19 O ATOM 610 CB VAL A 80 -4.067 -4.680 4.705 1.00 0.28 C ATOM 611 CG1 VAL A 80 -5.427 -4.340 5.298 1.00 0.28 C ATOM 612 CG2 VAL A 80 -3.850 -6.184 4.682 1.00 0.40 C ATOM 0 H VAL A 80 -1.861 -4.275 2.988 1.00 0.29 H new ATOM 0 HA VAL A 80 -4.790 -4.376 2.713 1.00 0.27 H new ATOM 0 HB VAL A 80 -3.304 -4.233 5.342 1.00 0.28 H new ATOM 0 HG11 VAL A 80 -5.507 -4.772 6.295 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -5.536 -3.257 5.362 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -6.213 -4.747 4.662 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -3.964 -6.584 5.690 1.00 0.40 H new ATOM 0 HG22 VAL A 80 -4.584 -6.647 4.023 1.00 0.40 H new ATOM 0 HG23 VAL A 80 -2.846 -6.401 4.317 1.00 0.40 H new ATOM 622 N THR A 81 -4.870 -1.896 2.977 1.00 0.22 N ATOM 623 CA THR A 81 -4.878 -0.447 2.955 1.00 0.22 C ATOM 624 C THR A 81 -5.759 0.111 4.058 1.00 0.22 C ATOM 625 O THR A 81 -6.682 -0.549 4.516 1.00 0.35 O ATOM 626 CB THR A 81 -5.387 0.093 1.606 1.00 0.32 C ATOM 627 OG1 THR A 81 -6.644 -0.509 1.274 1.00 0.36 O ATOM 628 CG2 THR A 81 -4.386 -0.173 0.497 1.00 0.40 C ATOM 0 H THR A 81 -5.739 -2.328 2.662 1.00 0.22 H new ATOM 0 HA THR A 81 -3.847 -0.127 3.108 1.00 0.22 H new ATOM 0 HB THR A 81 -5.516 1.171 1.704 1.00 0.32 H new ATOM 0 HG1 THR A 81 -6.516 -1.155 0.549 1.00 0.36 H new ATOM 0 HG21 THR A 81 -4.772 0.219 -0.444 1.00 0.40 H new ATOM 0 HG22 THR A 81 -3.442 0.317 0.734 1.00 0.40 H new ATOM 0 HG23 THR A 81 -4.224 -1.247 0.403 1.00 0.40 H new ATOM 636 N SER A 82 -5.451 1.311 4.497 1.00 0.19 N ATOM 637 CA SER A 82 -6.339 2.052 5.358 1.00 0.20 C ATOM 638 C SER A 82 -6.924 3.202 4.555 1.00 0.24 C ATOM 639 O SER A 82 -6.349 4.291 4.500 1.00 0.29 O ATOM 640 CB SER A 82 -5.572 2.572 6.576 1.00 0.25 C ATOM 641 OG SER A 82 -4.509 3.421 6.184 1.00 1.19 O ATOM 0 H SER A 82 -4.584 1.796 4.268 1.00 0.19 H new ATOM 0 HA SER A 82 -7.143 1.412 5.720 1.00 0.20 H new ATOM 0 HB2 SER A 82 -6.252 3.115 7.233 1.00 0.25 H new ATOM 0 HB3 SER A 82 -5.179 1.732 7.148 1.00 0.25 H new ATOM 0 HG SER A 82 -4.857 4.139 5.614 1.00 1.19 H new ATOM 647 N HIS A 83 -8.047 2.957 3.905 1.00 0.24 N ATOM 648 CA HIS A 83 -8.616 3.966 3.039 1.00 0.30 C ATOM 649 C HIS A 83 -10.045 4.286 3.454 1.00 0.29 C ATOM 650 O HIS A 83 -10.773 3.430 3.963 1.00 0.27 O ATOM 651 CB HIS A 83 -8.499 3.557 1.549 1.00 0.33 C ATOM 652 CG HIS A 83 -9.515 2.572 1.053 1.00 0.32 C ATOM 653 ND1 HIS A 83 -9.923 2.475 -0.278 1.00 0.39 N ATOM 654 CD2 HIS A 83 -10.254 1.668 1.731 1.00 0.28 C ATOM 655 CE1 HIS A 83 -10.886 1.540 -0.342 1.00 0.39 C ATOM 656 NE2 HIS A 83 -11.104 1.062 0.845 1.00 0.33 N ATOM 0 H HIS A 83 -8.573 2.085 3.959 1.00 0.24 H new ATOM 0 HA HIS A 83 -8.041 4.885 3.149 1.00 0.30 H new ATOM 0 HB2 HIS A 83 -8.569 4.458 0.940 1.00 0.33 H new ATOM 0 HB3 HIS A 83 -7.506 3.138 1.385 1.00 0.33 H new ATOM 0 HD2 HIS A 83 -10.186 1.459 2.788 1.00 0.28 H new ATOM 0 HE1 HIS A 83 -11.399 1.234 -1.242 1.00 0.39 H new ATOM 0 HE2 HIS A 83 -11.796 0.350 1.080 1.00 0.33 H new ATOM 664 N GLY A 84 -10.423 5.538 3.282 1.00 0.35 N ATOM 665 CA GLY A 84 -11.738 5.970 3.689 1.00 0.36 C ATOM 666 C GLY A 84 -11.824 6.106 5.188 1.00 0.36 C ATOM 667 O GLY A 84 -11.407 7.112 5.742 1.00 0.42 O ATOM 0 H GLY A 84 -9.841 6.265 2.867 1.00 0.35 H new ATOM 0 HA2 GLY A 84 -11.972 6.926 3.220 1.00 0.36 H new ATOM 0 HA3 GLY A 84 -12.483 5.254 3.342 1.00 0.36 H new ATOM 671 N ASP A 85 -12.366 5.095 5.840 1.00 0.33 N ATOM 672 CA ASP A 85 -12.442 5.077 7.295 1.00 0.36 C ATOM 673 C ASP A 85 -11.995 3.721 7.834 1.00 0.33 C ATOM 674 O ASP A 85 -11.898 3.512 9.044 1.00 0.38 O ATOM 675 CB ASP A 85 -13.874 5.393 7.744 1.00 0.42 C ATOM 676 CG ASP A 85 -14.037 5.416 9.252 1.00 0.89 C ATOM 677 OD1 ASP A 85 -13.508 6.346 9.899 1.00 0.85 O ATOM 678 OD2 ASP A 85 -14.673 4.495 9.803 1.00 1.59 O ATOM 0 H ASP A 85 -12.762 4.272 5.387 1.00 0.33 H new ATOM 0 HA ASP A 85 -11.773 5.839 7.696 1.00 0.36 H new ATOM 0 HB2 ASP A 85 -14.170 6.361 7.338 1.00 0.42 H new ATOM 0 HB3 ASP A 85 -14.552 4.650 7.323 1.00 0.42 H new ATOM 683 N HIS A 86 -11.689 2.802 6.932 1.00 0.29 N ATOM 684 CA HIS A 86 -11.459 1.420 7.326 1.00 0.27 C ATOM 685 C HIS A 86 -10.199 0.840 6.724 1.00 0.23 C ATOM 686 O HIS A 86 -9.514 1.474 5.922 1.00 0.21 O ATOM 687 CB HIS A 86 -12.660 0.548 6.942 1.00 0.29 C ATOM 688 CG HIS A 86 -13.014 0.563 5.480 1.00 0.27 C ATOM 689 ND1 HIS A 86 -14.273 0.904 4.996 1.00 0.30 N ATOM 690 CD2 HIS A 86 -12.273 0.212 4.385 1.00 0.26 C ATOM 691 CE1 HIS A 86 -14.259 0.742 3.661 1.00 0.30 C ATOM 692 NE2 HIS A 86 -13.093 0.323 3.273 1.00 0.28 N ATOM 0 H HIS A 86 -11.595 2.984 5.933 1.00 0.29 H new ATOM 0 HA HIS A 86 -11.332 1.423 8.409 1.00 0.27 H new ATOM 0 HB2 HIS A 86 -12.454 -0.480 7.240 1.00 0.29 H new ATOM 0 HB3 HIS A 86 -13.527 0.878 7.514 1.00 0.29 H new ATOM 0 HD1 HIS A 86 -15.066 1.221 5.554 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -11.238 -0.096 4.387 1.00 0.26 H new ATOM 0 HE1 HIS A 86 -15.097 0.933 3.006 1.00 0.30 H new ATOM 700 N TYR A 87 -9.906 -0.377 7.142 1.00 0.24 N ATOM 701 CA TYR A 87 -8.819 -1.139 6.575 1.00 0.22 C ATOM 702 C TYR A 87 -9.388 -2.085 5.540 1.00 0.22 C ATOM 703 O TYR A 87 -10.356 -2.796 5.807 1.00 0.26 O ATOM 704 CB TYR A 87 -8.081 -1.923 7.667 1.00 0.25 C ATOM 705 CG TYR A 87 -7.555 -1.048 8.778 1.00 0.29 C ATOM 706 CD1 TYR A 87 -7.048 0.204 8.496 1.00 0.27 C ATOM 707 CD2 TYR A 87 -7.562 -1.468 10.103 1.00 0.38 C ATOM 708 CE1 TYR A 87 -6.564 1.021 9.486 1.00 0.32 C ATOM 709 CE2 TYR A 87 -7.077 -0.653 11.110 1.00 0.43 C ATOM 710 CZ TYR A 87 -6.577 0.592 10.794 1.00 0.40 C ATOM 711 OH TYR A 87 -6.085 1.410 11.788 1.00 0.46 O ATOM 0 H TYR A 87 -10.415 -0.860 7.882 1.00 0.24 H new ATOM 0 HA TYR A 87 -8.101 -0.465 6.108 1.00 0.22 H new ATOM 0 HB2 TYR A 87 -8.756 -2.668 8.089 1.00 0.25 H new ATOM 0 HB3 TYR A 87 -7.250 -2.465 7.216 1.00 0.25 H new ATOM 0 HD1 TYR A 87 -7.032 0.549 7.473 1.00 0.27 H new ATOM 0 HD2 TYR A 87 -7.952 -2.445 10.350 1.00 0.38 H new ATOM 0 HE1 TYR A 87 -6.174 1.998 9.240 1.00 0.32 H new ATOM 0 HE2 TYR A 87 -7.090 -0.990 12.136 1.00 0.43 H new ATOM 0 HH TYR A 87 -6.168 0.959 12.654 1.00 0.46 H new ATOM 721 N HIS A 88 -8.803 -2.087 4.363 1.00 0.21 N ATOM 722 CA HIS A 88 -9.303 -2.902 3.280 1.00 0.25 C ATOM 723 C HIS A 88 -8.179 -3.769 2.721 1.00 0.26 C ATOM 724 O HIS A 88 -7.135 -3.262 2.303 1.00 0.28 O ATOM 725 CB HIS A 88 -9.919 -2.017 2.189 1.00 0.29 C ATOM 726 CG HIS A 88 -11.044 -2.688 1.467 1.00 0.35 C ATOM 727 ND1 HIS A 88 -12.211 -2.045 1.145 1.00 0.38 N ATOM 728 CD2 HIS A 88 -11.158 -3.977 1.055 1.00 0.43 C ATOM 729 CE1 HIS A 88 -13.005 -2.911 0.570 1.00 0.47 C ATOM 730 NE2 HIS A 88 -12.408 -4.113 0.486 1.00 0.51 N ATOM 0 H HIS A 88 -7.979 -1.532 4.132 1.00 0.21 H new ATOM 0 HA HIS A 88 -10.086 -3.560 3.657 1.00 0.25 H new ATOM 0 HB2 HIS A 88 -10.282 -1.093 2.639 1.00 0.29 H new ATOM 0 HB3 HIS A 88 -9.146 -1.741 1.472 1.00 0.29 H new ATOM 0 HD2 HIS A 88 -10.411 -4.750 1.154 1.00 0.43 H new ATOM 0 HE1 HIS A 88 -14.000 -2.691 0.213 1.00 0.47 H new ATOM 0 HE2 HIS A 88 -12.803 -4.961 0.080 1.00 0.51 H new ATOM 738 N TYR A 89 -8.394 -5.074 2.750 1.00 0.28 N ATOM 739 CA TYR A 89 -7.392 -6.042 2.323 1.00 0.31 C ATOM 740 C TYR A 89 -7.528 -6.322 0.822 1.00 0.36 C ATOM 741 O TYR A 89 -8.618 -6.617 0.336 1.00 0.44 O ATOM 742 CB TYR A 89 -7.576 -7.336 3.126 1.00 0.45 C ATOM 743 CG TYR A 89 -6.333 -8.190 3.260 1.00 0.45 C ATOM 744 CD1 TYR A 89 -5.476 -8.391 2.191 1.00 0.45 C ATOM 745 CD2 TYR A 89 -6.026 -8.812 4.464 1.00 0.59 C ATOM 746 CE1 TYR A 89 -4.355 -9.176 2.306 1.00 0.50 C ATOM 747 CE2 TYR A 89 -4.899 -9.600 4.593 1.00 0.62 C ATOM 748 CZ TYR A 89 -4.065 -9.779 3.508 1.00 0.53 C ATOM 749 OH TYR A 89 -2.940 -10.570 3.626 1.00 0.60 O ATOM 0 H TYR A 89 -9.267 -5.494 3.070 1.00 0.28 H new ATOM 0 HA TYR A 89 -6.395 -5.640 2.504 1.00 0.31 H new ATOM 0 HB2 TYR A 89 -7.931 -7.079 4.124 1.00 0.45 H new ATOM 0 HB3 TYR A 89 -8.358 -7.931 2.653 1.00 0.45 H new ATOM 0 HD1 TYR A 89 -5.694 -7.919 1.244 1.00 0.45 H new ATOM 0 HD2 TYR A 89 -6.680 -8.677 5.313 1.00 0.59 H new ATOM 0 HE1 TYR A 89 -3.704 -9.319 1.456 1.00 0.50 H new ATOM 0 HE2 TYR A 89 -4.672 -10.073 5.537 1.00 0.62 H new ATOM 0 HH TYR A 89 -2.880 -10.920 4.540 1.00 0.60 H new ATOM 759 N TYR A 90 -6.420 -6.218 0.091 1.00 0.45 N ATOM 760 CA TYR A 90 -6.424 -6.461 -1.349 1.00 0.69 C ATOM 761 C TYR A 90 -5.448 -7.581 -1.702 1.00 0.55 C ATOM 762 O TYR A 90 -4.655 -8.014 -0.869 1.00 0.47 O ATOM 763 CB TYR A 90 -6.016 -5.224 -2.149 1.00 1.04 C ATOM 764 CG TYR A 90 -6.864 -3.980 -1.985 1.00 0.95 C ATOM 765 CD1 TYR A 90 -7.354 -3.636 -0.730 1.00 1.32 C ATOM 766 CD2 TYR A 90 -7.200 -3.170 -3.056 1.00 1.70 C ATOM 767 CE1 TYR A 90 -8.145 -2.523 -0.553 1.00 2.07 C ATOM 768 CE2 TYR A 90 -7.991 -2.056 -2.887 1.00 2.40 C ATOM 769 CZ TYR A 90 -8.378 -1.666 -1.734 1.00 2.47 C ATOM 770 OH TYR A 90 -9.251 -0.623 -1.477 1.00 3.42 O ATOM 0 H TYR A 90 -5.508 -5.967 0.473 1.00 0.45 H new ATOM 0 HA TYR A 90 -7.447 -6.733 -1.610 1.00 0.69 H new ATOM 0 HB2 TYR A 90 -4.991 -4.971 -1.880 1.00 1.04 H new ATOM 0 HB3 TYR A 90 -6.011 -5.492 -3.206 1.00 1.04 H new ATOM 0 HD1 TYR A 90 -7.110 -4.253 0.122 1.00 1.32 H new ATOM 0 HD2 TYR A 90 -6.835 -3.416 -4.042 1.00 1.70 H new ATOM 0 HE1 TYR A 90 -8.577 -2.286 0.408 1.00 2.07 H new ATOM 0 HE2 TYR A 90 -8.294 -1.494 -3.758 1.00 2.40 H new ATOM 0 HH TYR A 90 -10.059 -0.971 -1.045 1.00 3.42 H new ATOM 780 N ASN A 91 -5.500 -8.025 -2.951 1.00 0.67 N ATOM 781 CA ASN A 91 -4.608 -9.068 -3.443 1.00 0.59 C ATOM 782 C ASN A 91 -3.781 -8.532 -4.604 1.00 0.49 C ATOM 783 O ASN A 91 -4.201 -7.602 -5.297 1.00 0.69 O ATOM 784 CB ASN A 91 -5.423 -10.273 -3.920 1.00 0.85 C ATOM 785 CG ASN A 91 -4.583 -11.503 -4.206 1.00 1.27 C ATOM 786 OD1 ASN A 91 -4.057 -11.675 -5.307 1.00 1.58 O ATOM 787 ND2 ASN A 91 -4.471 -12.380 -3.225 1.00 2.04 N ATOM 0 H ASN A 91 -6.157 -7.675 -3.648 1.00 0.67 H new ATOM 0 HA ASN A 91 -3.947 -9.376 -2.633 1.00 0.59 H new ATOM 0 HB2 ASN A 91 -6.167 -10.520 -3.163 1.00 0.85 H new ATOM 0 HB3 ASN A 91 -5.967 -9.998 -4.823 1.00 0.85 H new ATOM 0 HD21 ASN A 91 -3.934 -13.236 -3.365 1.00 2.04 H new ATOM 0 HD22 ASN A 91 -4.921 -12.201 -2.327 1.00 2.04 H new ATOM 794 N GLY A 92 -2.614 -9.114 -4.812 1.00 0.40 N ATOM 795 CA GLY A 92 -1.806 -8.765 -5.963 1.00 0.41 C ATOM 796 C GLY A 92 -0.794 -7.671 -5.686 1.00 0.33 C ATOM 797 O GLY A 92 -0.355 -7.483 -4.551 1.00 0.47 O ATOM 0 H GLY A 92 -2.208 -9.825 -4.204 1.00 0.40 H new ATOM 0 HA2 GLY A 92 -1.281 -9.655 -6.311 1.00 0.41 H new ATOM 0 HA3 GLY A 92 -2.462 -8.445 -6.773 1.00 0.41 H new ATOM 801 N LYS A 93 -0.422 -6.959 -6.740 1.00 0.40 N ATOM 802 CA LYS A 93 0.570 -5.900 -6.659 1.00 0.35 C ATOM 803 C LYS A 93 -0.072 -4.564 -6.306 1.00 0.35 C ATOM 804 O LYS A 93 -1.282 -4.381 -6.448 1.00 0.47 O ATOM 805 CB LYS A 93 1.301 -5.778 -7.993 1.00 0.36 C ATOM 806 CG LYS A 93 2.169 -6.973 -8.346 1.00 0.39 C ATOM 807 CD LYS A 93 3.385 -7.051 -7.444 1.00 0.63 C ATOM 808 CE LYS A 93 3.071 -7.740 -6.131 1.00 1.42 C ATOM 809 NZ LYS A 93 3.074 -9.222 -6.259 1.00 2.03 N ATOM 0 H LYS A 93 -0.801 -7.101 -7.676 1.00 0.40 H new ATOM 0 HA LYS A 93 1.276 -6.158 -5.870 1.00 0.35 H new ATOM 0 HB2 LYS A 93 0.565 -5.633 -8.784 1.00 0.36 H new ATOM 0 HB3 LYS A 93 1.926 -4.885 -7.970 1.00 0.36 H new ATOM 0 HG2 LYS A 93 1.586 -7.889 -8.255 1.00 0.39 H new ATOM 0 HG3 LYS A 93 2.488 -6.900 -9.386 1.00 0.39 H new ATOM 0 HD2 LYS A 93 4.182 -7.590 -7.955 1.00 0.63 H new ATOM 0 HD3 LYS A 93 3.756 -6.045 -7.247 1.00 0.63 H new ATOM 0 HE2 LYS A 93 3.803 -7.440 -5.381 1.00 1.42 H new ATOM 0 HE3 LYS A 93 2.096 -7.410 -5.774 1.00 1.42 H new ATOM 0 HZ1 LYS A 93 2.855 -9.651 -5.337 1.00 2.03 H new ATOM 0 HZ2 LYS A 93 2.358 -9.512 -6.955 1.00 2.03 H new ATOM 0 HZ3 LYS A 93 4.012 -9.541 -6.575 1.00 2.03 H new ATOM 823 N VAL A 94 0.758 -3.640 -5.851 1.00 0.31 N ATOM 824 CA VAL A 94 0.323 -2.295 -5.516 1.00 0.29 C ATOM 825 C VAL A 94 0.286 -1.444 -6.783 1.00 0.28 C ATOM 826 O VAL A 94 1.243 -1.460 -7.563 1.00 0.30 O ATOM 827 CB VAL A 94 1.292 -1.649 -4.500 1.00 0.29 C ATOM 828 CG1 VAL A 94 0.710 -0.368 -3.932 1.00 0.32 C ATOM 829 CG2 VAL A 94 1.636 -2.624 -3.384 1.00 0.41 C ATOM 0 H VAL A 94 1.754 -3.802 -5.703 1.00 0.31 H new ATOM 0 HA VAL A 94 -0.671 -2.350 -5.072 1.00 0.29 H new ATOM 0 HB VAL A 94 2.212 -1.397 -5.028 1.00 0.29 H new ATOM 0 HG11 VAL A 94 1.412 0.066 -3.220 1.00 0.32 H new ATOM 0 HG12 VAL A 94 0.530 0.340 -4.741 1.00 0.32 H new ATOM 0 HG13 VAL A 94 -0.230 -0.588 -3.426 1.00 0.32 H new ATOM 0 HG21 VAL A 94 2.319 -2.147 -2.682 1.00 0.41 H new ATOM 0 HG22 VAL A 94 0.725 -2.916 -2.862 1.00 0.41 H new ATOM 0 HG23 VAL A 94 2.111 -3.509 -3.808 1.00 0.41 H new ATOM 839 N PRO A 95 -0.813 -0.705 -7.023 1.00 0.27 N ATOM 840 CA PRO A 95 -0.944 0.124 -8.217 1.00 0.28 C ATOM 841 C PRO A 95 0.041 1.280 -8.224 1.00 0.25 C ATOM 842 O PRO A 95 0.552 1.669 -7.174 1.00 0.27 O ATOM 843 CB PRO A 95 -2.374 0.650 -8.166 1.00 0.33 C ATOM 844 CG PRO A 95 -2.794 0.523 -6.749 1.00 0.33 C ATOM 845 CD PRO A 95 -2.002 -0.616 -6.158 1.00 0.30 C ATOM 0 HA PRO A 95 -0.731 -0.449 -9.119 1.00 0.28 H new ATOM 0 HB2 PRO A 95 -2.423 1.687 -8.498 1.00 0.33 H new ATOM 0 HB3 PRO A 95 -3.027 0.074 -8.822 1.00 0.33 H new ATOM 0 HG2 PRO A 95 -2.604 1.448 -6.205 1.00 0.33 H new ATOM 0 HG3 PRO A 95 -3.864 0.326 -6.679 1.00 0.33 H new ATOM 0 HD2 PRO A 95 -1.729 -0.417 -5.122 1.00 0.30 H new ATOM 0 HD3 PRO A 95 -2.572 -1.545 -6.165 1.00 0.30 H new ATOM 853 N TYR A 96 0.293 1.833 -9.393 1.00 0.26 N ATOM 854 CA TYR A 96 1.289 2.882 -9.544 1.00 0.27 C ATOM 855 C TYR A 96 0.946 4.077 -8.656 1.00 0.26 C ATOM 856 O TYR A 96 1.794 4.575 -7.912 1.00 0.30 O ATOM 857 CB TYR A 96 1.364 3.320 -11.011 1.00 0.33 C ATOM 858 CG TYR A 96 2.683 3.947 -11.412 1.00 0.38 C ATOM 859 CD1 TYR A 96 3.399 4.743 -10.531 1.00 0.30 C ATOM 860 CD2 TYR A 96 3.208 3.741 -12.680 1.00 0.61 C ATOM 861 CE1 TYR A 96 4.598 5.308 -10.892 1.00 0.35 C ATOM 862 CE2 TYR A 96 4.411 4.306 -13.053 1.00 0.68 C ATOM 863 CZ TYR A 96 5.105 5.086 -12.155 1.00 0.51 C ATOM 864 OH TYR A 96 6.312 5.636 -12.520 1.00 0.59 O ATOM 0 H TYR A 96 -0.180 1.574 -10.259 1.00 0.26 H new ATOM 0 HA TYR A 96 2.259 2.491 -9.237 1.00 0.27 H new ATOM 0 HB2 TYR A 96 1.180 2.453 -11.646 1.00 0.33 H new ATOM 0 HB3 TYR A 96 0.563 4.033 -11.206 1.00 0.33 H new ATOM 0 HD1 TYR A 96 3.006 4.922 -9.541 1.00 0.30 H new ATOM 0 HD2 TYR A 96 2.667 3.129 -13.386 1.00 0.61 H new ATOM 0 HE1 TYR A 96 5.141 5.923 -10.190 1.00 0.35 H new ATOM 0 HE2 TYR A 96 4.806 4.137 -14.044 1.00 0.68 H new ATOM 0 HH TYR A 96 7.033 5.001 -12.325 1.00 0.59 H new ATOM 874 N ASP A 97 -0.307 4.502 -8.704 1.00 0.28 N ATOM 875 CA ASP A 97 -0.715 5.728 -8.027 1.00 0.33 C ATOM 876 C ASP A 97 -1.267 5.441 -6.629 1.00 0.32 C ATOM 877 O ASP A 97 -1.978 6.267 -6.051 1.00 0.38 O ATOM 878 CB ASP A 97 -1.762 6.480 -8.857 1.00 0.43 C ATOM 879 CG ASP A 97 -3.098 5.762 -8.914 1.00 1.07 C ATOM 880 OD1 ASP A 97 -3.216 4.768 -9.661 1.00 1.82 O ATOM 881 OD2 ASP A 97 -4.042 6.191 -8.217 1.00 1.07 O ATOM 0 H ASP A 97 -1.057 4.021 -9.201 1.00 0.28 H new ATOM 0 HA ASP A 97 0.172 6.352 -7.920 1.00 0.33 H new ATOM 0 HB2 ASP A 97 -1.907 7.474 -8.435 1.00 0.43 H new ATOM 0 HB3 ASP A 97 -1.385 6.616 -9.871 1.00 0.43 H new ATOM 886 N ALA A 98 -0.949 4.271 -6.087 1.00 0.27 N ATOM 887 CA ALA A 98 -1.370 3.916 -4.735 1.00 0.27 C ATOM 888 C ALA A 98 -0.744 4.833 -3.695 1.00 0.26 C ATOM 889 O ALA A 98 0.197 5.570 -3.983 1.00 0.40 O ATOM 890 CB ALA A 98 -1.001 2.479 -4.420 1.00 0.30 C ATOM 0 H ALA A 98 -0.402 3.553 -6.561 1.00 0.27 H new ATOM 0 HA ALA A 98 -2.453 4.033 -4.695 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -1.323 2.234 -3.408 1.00 0.30 H new ATOM 0 HB2 ALA A 98 -1.493 1.813 -5.129 1.00 0.30 H new ATOM 0 HB3 ALA A 98 0.079 2.356 -4.497 1.00 0.30 H new ATOM 896 N ILE A 99 -1.303 4.791 -2.497 1.00 0.18 N ATOM 897 CA ILE A 99 -0.773 5.504 -1.354 1.00 0.17 C ATOM 898 C ILE A 99 -0.230 4.499 -0.340 1.00 0.16 C ATOM 899 O ILE A 99 -0.792 3.418 -0.189 1.00 0.16 O ATOM 900 CB ILE A 99 -1.886 6.344 -0.703 1.00 0.21 C ATOM 901 CG1 ILE A 99 -2.432 7.357 -1.704 1.00 0.21 C ATOM 902 CG2 ILE A 99 -1.382 7.039 0.550 1.00 0.26 C ATOM 903 CD1 ILE A 99 -1.530 8.536 -1.942 1.00 0.29 C ATOM 0 H ILE A 99 -2.146 4.255 -2.292 1.00 0.18 H new ATOM 0 HA ILE A 99 0.030 6.166 -1.679 1.00 0.17 H new ATOM 0 HB ILE A 99 -2.695 5.676 -0.408 1.00 0.21 H new ATOM 0 HG12 ILE A 99 -2.610 6.853 -2.654 1.00 0.21 H new ATOM 0 HG13 ILE A 99 -3.397 7.718 -1.349 1.00 0.21 H new ATOM 0 HG21 ILE A 99 -2.188 7.626 0.990 1.00 0.26 H new ATOM 0 HG22 ILE A 99 -1.042 6.293 1.268 1.00 0.26 H new ATOM 0 HG23 ILE A 99 -0.553 7.698 0.292 1.00 0.26 H new ATOM 0 HD11 ILE A 99 -1.992 9.207 -2.666 1.00 0.29 H new ATOM 0 HD12 ILE A 99 -1.371 9.068 -1.004 1.00 0.29 H new ATOM 0 HD13 ILE A 99 -0.572 8.189 -2.329 1.00 0.29 H new ATOM 915 N ILE A 100 0.861 4.828 0.329 1.00 0.17 N ATOM 916 CA ILE A 100 1.428 3.934 1.327 1.00 0.18 C ATOM 917 C ILE A 100 1.515 4.619 2.690 1.00 0.18 C ATOM 918 O ILE A 100 1.618 5.843 2.778 1.00 0.20 O ATOM 919 CB ILE A 100 2.841 3.473 0.919 1.00 0.20 C ATOM 920 CG1 ILE A 100 2.843 2.941 -0.518 1.00 0.21 C ATOM 921 CG2 ILE A 100 3.347 2.409 1.883 1.00 0.22 C ATOM 922 CD1 ILE A 100 2.135 1.615 -0.690 1.00 0.23 C ATOM 0 H ILE A 100 1.371 5.702 0.202 1.00 0.17 H new ATOM 0 HA ILE A 100 0.767 3.070 1.393 1.00 0.18 H new ATOM 0 HB ILE A 100 3.511 4.331 0.965 1.00 0.20 H new ATOM 0 HG12 ILE A 100 2.371 3.679 -1.167 1.00 0.21 H new ATOM 0 HG13 ILE A 100 3.875 2.835 -0.853 1.00 0.21 H new ATOM 0 HG21 ILE A 100 4.346 2.092 1.583 1.00 0.22 H new ATOM 0 HG22 ILE A 100 3.384 2.820 2.892 1.00 0.22 H new ATOM 0 HG23 ILE A 100 2.674 1.552 1.865 1.00 0.22 H new ATOM 0 HD11 ILE A 100 2.182 1.310 -1.735 1.00 0.23 H new ATOM 0 HD12 ILE A 100 2.619 0.861 -0.070 1.00 0.23 H new ATOM 0 HD13 ILE A 100 1.092 1.717 -0.389 1.00 0.23 H new ATOM 934 N SER A 101 1.449 3.818 3.743 1.00 0.20 N ATOM 935 CA SER A 101 1.672 4.292 5.095 1.00 0.20 C ATOM 936 C SER A 101 3.165 4.472 5.345 1.00 0.20 C ATOM 937 O SER A 101 3.991 3.708 4.838 1.00 0.23 O ATOM 938 CB SER A 101 1.100 3.288 6.097 1.00 0.22 C ATOM 939 OG SER A 101 1.420 3.648 7.431 1.00 0.89 O ATOM 0 H SER A 101 1.239 2.822 3.681 1.00 0.20 H new ATOM 0 HA SER A 101 1.171 5.252 5.221 1.00 0.20 H new ATOM 0 HB2 SER A 101 0.017 3.234 5.983 1.00 0.22 H new ATOM 0 HB3 SER A 101 1.493 2.294 5.883 1.00 0.22 H new ATOM 0 HG SER A 101 0.646 3.482 8.009 1.00 0.89 H new ATOM 945 N GLU A 102 3.500 5.477 6.144 1.00 0.20 N ATOM 946 CA GLU A 102 4.888 5.788 6.457 1.00 0.21 C ATOM 947 C GLU A 102 5.523 4.664 7.270 1.00 0.24 C ATOM 948 O GLU A 102 6.748 4.580 7.383 1.00 0.29 O ATOM 949 CB GLU A 102 4.965 7.124 7.200 1.00 0.25 C ATOM 950 CG GLU A 102 4.464 7.084 8.637 1.00 0.31 C ATOM 951 CD GLU A 102 5.523 6.656 9.637 1.00 0.94 C ATOM 952 OE1 GLU A 102 6.556 7.345 9.751 1.00 1.22 O ATOM 953 OE2 GLU A 102 5.331 5.625 10.310 1.00 1.71 O ATOM 0 H GLU A 102 2.822 6.095 6.590 1.00 0.20 H new ATOM 0 HA GLU A 102 5.451 5.878 5.528 1.00 0.21 H new ATOM 0 HB2 GLU A 102 6.000 7.465 7.200 1.00 0.25 H new ATOM 0 HB3 GLU A 102 4.386 7.865 6.648 1.00 0.25 H new ATOM 0 HG2 GLU A 102 4.094 8.072 8.912 1.00 0.31 H new ATOM 0 HG3 GLU A 102 3.619 6.399 8.700 1.00 0.31 H new ATOM 960 N GLU A 103 4.671 3.802 7.819 1.00 0.27 N ATOM 961 CA GLU A 103 5.108 2.654 8.606 1.00 0.34 C ATOM 962 C GLU A 103 5.953 1.704 7.768 1.00 0.31 C ATOM 963 O GLU A 103 6.773 0.951 8.296 1.00 0.41 O ATOM 964 CB GLU A 103 3.900 1.895 9.141 1.00 0.43 C ATOM 965 CG GLU A 103 3.023 2.694 10.079 1.00 0.67 C ATOM 966 CD GLU A 103 1.789 1.920 10.495 1.00 1.15 C ATOM 967 OE1 GLU A 103 0.762 1.996 9.787 1.00 1.42 O ATOM 968 OE2 GLU A 103 1.842 1.225 11.534 1.00 1.48 O ATOM 0 H GLU A 103 3.658 3.880 7.730 1.00 0.27 H new ATOM 0 HA GLU A 103 5.710 3.029 9.433 1.00 0.34 H new ATOM 0 HB2 GLU A 103 3.296 1.558 8.298 1.00 0.43 H new ATOM 0 HB3 GLU A 103 4.248 1.003 9.661 1.00 0.43 H new ATOM 0 HG2 GLU A 103 3.595 2.969 10.965 1.00 0.67 H new ATOM 0 HG3 GLU A 103 2.723 3.622 9.593 1.00 0.67 H new ATOM 975 N LEU A 104 5.747 1.742 6.464 1.00 0.23 N ATOM 976 CA LEU A 104 6.402 0.809 5.562 1.00 0.25 C ATOM 977 C LEU A 104 7.541 1.469 4.796 1.00 0.27 C ATOM 978 O LEU A 104 8.151 0.843 3.933 1.00 0.29 O ATOM 979 CB LEU A 104 5.384 0.240 4.577 1.00 0.27 C ATOM 980 CG LEU A 104 4.202 -0.481 5.216 1.00 0.28 C ATOM 981 CD1 LEU A 104 3.175 -0.843 4.160 1.00 0.33 C ATOM 982 CD2 LEU A 104 4.678 -1.722 5.946 1.00 0.30 C ATOM 0 H LEU A 104 5.129 2.411 6.004 1.00 0.23 H new ATOM 0 HA LEU A 104 6.825 0.006 6.165 1.00 0.25 H new ATOM 0 HB2 LEU A 104 5.003 1.054 3.960 1.00 0.27 H new ATOM 0 HB3 LEU A 104 5.895 -0.453 3.909 1.00 0.27 H new ATOM 0 HG LEU A 104 3.732 0.186 5.939 1.00 0.28 H new ATOM 0 HD11 LEU A 104 2.336 -1.357 4.629 1.00 0.33 H new ATOM 0 HD12 LEU A 104 2.818 0.065 3.674 1.00 0.33 H new ATOM 0 HD13 LEU A 104 3.632 -1.497 3.417 1.00 0.33 H new ATOM 0 HD21 LEU A 104 3.825 -2.228 6.398 1.00 0.30 H new ATOM 0 HD22 LEU A 104 5.167 -2.394 5.241 1.00 0.30 H new ATOM 0 HD23 LEU A 104 5.385 -1.437 6.725 1.00 0.30 H new ATOM 994 N LEU A 105 7.830 2.724 5.107 1.00 0.43 N ATOM 995 CA LEU A 105 8.859 3.454 4.395 1.00 0.54 C ATOM 996 C LEU A 105 10.227 2.820 4.548 1.00 0.46 C ATOM 997 O LEU A 105 10.594 2.327 5.617 1.00 0.53 O ATOM 998 CB LEU A 105 8.929 4.894 4.868 1.00 0.88 C ATOM 999 CG LEU A 105 7.902 5.822 4.252 1.00 0.30 C ATOM 1000 CD1 LEU A 105 8.130 7.243 4.730 1.00 1.01 C ATOM 1001 CD2 LEU A 105 8.000 5.739 2.744 1.00 1.09 C ATOM 0 H LEU A 105 7.366 3.253 5.845 1.00 0.43 H new ATOM 0 HA LEU A 105 8.581 3.423 3.341 1.00 0.54 H new ATOM 0 HB2 LEU A 105 8.808 4.911 5.951 1.00 0.88 H new ATOM 0 HB3 LEU A 105 9.924 5.283 4.652 1.00 0.88 H new ATOM 0 HG LEU A 105 6.901 5.520 4.560 1.00 0.30 H new ATOM 0 HD11 LEU A 105 7.386 7.902 4.281 1.00 1.01 H new ATOM 0 HD12 LEU A 105 8.040 7.281 5.816 1.00 1.01 H new ATOM 0 HD13 LEU A 105 9.128 7.570 4.437 1.00 1.01 H new ATOM 0 HD21 LEU A 105 7.263 6.405 2.294 1.00 1.09 H new ATOM 0 HD22 LEU A 105 9.000 6.037 2.427 1.00 1.09 H new ATOM 0 HD23 LEU A 105 7.808 4.715 2.423 1.00 1.09 H new ATOM 1013 N MET A 106 10.965 2.829 3.457 1.00 0.41 N ATOM 1014 CA MET A 106 12.349 2.427 3.467 1.00 0.45 C ATOM 1015 C MET A 106 13.256 3.621 3.203 1.00 0.92 C ATOM 1016 O MET A 106 13.534 3.967 2.051 1.00 1.28 O ATOM 1017 CB MET A 106 12.604 1.336 2.426 1.00 0.27 C ATOM 1018 CG MET A 106 14.083 1.102 2.138 1.00 0.30 C ATOM 1019 SD MET A 106 14.395 -0.431 1.282 1.00 1.05 S ATOM 1020 CE MET A 106 14.301 -1.575 2.642 1.00 0.50 C ATOM 0 H MET A 106 10.619 3.116 2.541 1.00 0.41 H new ATOM 0 HA MET A 106 12.576 2.026 4.455 1.00 0.45 H new ATOM 0 HB2 MET A 106 12.158 0.404 2.772 1.00 0.27 H new ATOM 0 HB3 MET A 106 12.100 1.606 1.498 1.00 0.27 H new ATOM 0 HG2 MET A 106 14.466 1.929 1.541 1.00 0.30 H new ATOM 0 HG3 MET A 106 14.635 1.105 3.078 1.00 0.30 H new ATOM 0 HE1 MET A 106 13.766 -2.471 2.327 1.00 0.50 H new ATOM 0 HE2 MET A 106 15.308 -1.846 2.959 1.00 0.50 H new ATOM 0 HE3 MET A 106 13.772 -1.109 3.473 1.00 0.50 H new ATOM 1092 N TYR A 111 21.011 0.760 3.082 1.00 0.95 N ATOM 1093 CA TYR A 111 20.336 0.086 1.980 1.00 0.70 C ATOM 1094 C TYR A 111 20.148 1.017 0.796 1.00 0.60 C ATOM 1095 O TYR A 111 19.739 2.165 0.949 1.00 0.80 O ATOM 1096 CB TYR A 111 18.969 -0.473 2.399 1.00 0.70 C ATOM 1097 CG TYR A 111 18.304 -1.279 1.305 1.00 0.76 C ATOM 1098 CD1 TYR A 111 18.631 -2.610 1.085 1.00 0.94 C ATOM 1099 CD2 TYR A 111 17.352 -0.698 0.488 1.00 0.89 C ATOM 1100 CE1 TYR A 111 18.024 -3.336 0.077 1.00 1.18 C ATOM 1101 CE2 TYR A 111 16.741 -1.413 -0.522 1.00 1.12 C ATOM 1102 CZ TYR A 111 17.079 -2.732 -0.726 1.00 1.23 C ATOM 1103 OH TYR A 111 16.484 -3.442 -1.746 1.00 1.57 O ATOM 0 HA TYR A 111 20.979 -0.745 1.689 1.00 0.70 H new ATOM 0 HB2 TYR A 111 19.093 -1.100 3.282 1.00 0.70 H new ATOM 0 HB3 TYR A 111 18.316 0.352 2.684 1.00 0.70 H new ATOM 0 HD1 TYR A 111 19.371 -3.086 1.711 1.00 0.94 H new ATOM 0 HD2 TYR A 111 17.081 0.336 0.643 1.00 0.89 H new ATOM 0 HE1 TYR A 111 18.289 -4.371 -0.081 1.00 1.18 H new ATOM 0 HE2 TYR A 111 16.001 -0.940 -1.150 1.00 1.12 H new ATOM 0 HH TYR A 111 16.616 -4.402 -1.597 1.00 1.57 H new ATOM 1113 N GLN A 112 20.469 0.510 -0.375 1.00 0.53 N ATOM 1114 CA GLN A 112 20.164 1.179 -1.622 1.00 0.55 C ATOM 1115 C GLN A 112 19.205 0.314 -2.420 1.00 0.45 C ATOM 1116 O GLN A 112 19.317 -0.914 -2.401 1.00 0.47 O ATOM 1117 CB GLN A 112 21.446 1.425 -2.402 1.00 0.70 C ATOM 1118 CG GLN A 112 22.357 2.462 -1.772 1.00 1.30 C ATOM 1119 CD GLN A 112 23.662 2.640 -2.527 1.00 1.42 C ATOM 1120 OE1 GLN A 112 24.238 3.731 -2.549 1.00 1.64 O ATOM 1121 NE2 GLN A 112 24.150 1.569 -3.137 1.00 2.05 N ATOM 0 H GLN A 112 20.951 -0.382 -0.490 1.00 0.53 H new ATOM 0 HA GLN A 112 19.696 2.144 -1.426 1.00 0.55 H new ATOM 0 HB2 GLN A 112 21.990 0.485 -2.494 1.00 0.70 H new ATOM 0 HB3 GLN A 112 21.190 1.745 -3.412 1.00 0.70 H new ATOM 0 HG2 GLN A 112 21.835 3.418 -1.729 1.00 1.30 H new ATOM 0 HG3 GLN A 112 22.575 2.171 -0.744 1.00 1.30 H new ATOM 0 HE21 GLN A 112 23.644 0.684 -3.096 1.00 2.05 H new ATOM 0 HE22 GLN A 112 25.031 1.630 -3.647 1.00 2.05 H new ATOM 1130 N LEU A 113 18.260 0.960 -3.099 1.00 0.40 N ATOM 1131 CA LEU A 113 17.183 0.276 -3.799 1.00 0.33 C ATOM 1132 C LEU A 113 17.718 -0.796 -4.743 1.00 0.36 C ATOM 1133 O LEU A 113 18.337 -0.490 -5.765 1.00 0.43 O ATOM 1134 CB LEU A 113 16.358 1.303 -4.569 1.00 0.32 C ATOM 1135 CG LEU A 113 15.235 0.729 -5.432 1.00 0.30 C ATOM 1136 CD1 LEU A 113 14.105 0.209 -4.561 1.00 0.25 C ATOM 1137 CD2 LEU A 113 14.727 1.773 -6.409 1.00 0.35 C ATOM 0 H LEU A 113 18.222 1.976 -3.178 1.00 0.40 H new ATOM 0 HA LEU A 113 16.554 -0.227 -3.065 1.00 0.33 H new ATOM 0 HB2 LEU A 113 15.923 2.003 -3.856 1.00 0.32 H new ATOM 0 HB3 LEU A 113 17.029 1.876 -5.209 1.00 0.32 H new ATOM 0 HG LEU A 113 15.634 -0.108 -6.006 1.00 0.30 H new ATOM 0 HD11 LEU A 113 13.315 -0.196 -5.193 1.00 0.25 H new ATOM 0 HD12 LEU A 113 14.483 -0.576 -3.905 1.00 0.25 H new ATOM 0 HD13 LEU A 113 13.705 1.025 -3.958 1.00 0.25 H new ATOM 0 HD21 LEU A 113 13.928 1.346 -7.015 1.00 0.35 H new ATOM 0 HD22 LEU A 113 14.345 2.632 -5.857 1.00 0.35 H new ATOM 0 HD23 LEU A 113 15.543 2.092 -7.057 1.00 0.35 H new ATOM 1149 N LYS A 114 17.469 -2.051 -4.392 1.00 0.40 N ATOM 1150 CA LYS A 114 17.986 -3.176 -5.154 1.00 0.47 C ATOM 1151 C LYS A 114 16.923 -3.718 -6.089 1.00 0.37 C ATOM 1152 O LYS A 114 15.803 -4.017 -5.674 1.00 0.33 O ATOM 1153 CB LYS A 114 18.452 -4.282 -4.219 1.00 0.63 C ATOM 1154 CG LYS A 114 19.350 -5.316 -4.862 1.00 0.90 C ATOM 1155 CD LYS A 114 20.654 -4.696 -5.335 1.00 1.14 C ATOM 1156 CE LYS A 114 21.660 -5.753 -5.756 1.00 1.51 C ATOM 1157 NZ LYS A 114 22.030 -6.650 -4.629 1.00 2.09 N ATOM 0 H LYS A 114 16.910 -2.314 -3.581 1.00 0.40 H new ATOM 0 HA LYS A 114 18.833 -2.825 -5.743 1.00 0.47 H new ATOM 0 HB2 LYS A 114 18.982 -3.831 -3.380 1.00 0.63 H new ATOM 0 HB3 LYS A 114 17.577 -4.785 -3.809 1.00 0.63 H new ATOM 0 HG2 LYS A 114 19.561 -6.112 -4.148 1.00 0.90 H new ATOM 0 HG3 LYS A 114 18.835 -5.774 -5.707 1.00 0.90 H new ATOM 0 HD2 LYS A 114 20.456 -4.028 -6.173 1.00 1.14 H new ATOM 0 HD3 LYS A 114 21.078 -4.088 -4.536 1.00 1.14 H new ATOM 0 HE2 LYS A 114 21.243 -6.346 -6.570 1.00 1.51 H new ATOM 0 HE3 LYS A 114 22.556 -5.267 -6.142 1.00 1.51 H new ATOM 0 HZ1 LYS A 114 23.065 -6.730 -4.574 1.00 2.09 H new ATOM 0 HZ2 LYS A 114 21.666 -6.256 -3.738 1.00 2.09 H new ATOM 0 HZ3 LYS A 114 21.618 -7.592 -4.785 1.00 2.09 H new ATOM 1171 N ASP A 115 17.303 -3.866 -7.346 1.00 0.40 N ATOM 1172 CA ASP A 115 16.399 -4.340 -8.396 1.00 0.41 C ATOM 1173 C ASP A 115 15.899 -5.751 -8.098 1.00 0.38 C ATOM 1174 O ASP A 115 14.857 -6.176 -8.599 1.00 0.42 O ATOM 1175 CB ASP A 115 17.115 -4.312 -9.751 1.00 0.53 C ATOM 1176 CG ASP A 115 16.276 -4.886 -10.879 1.00 1.12 C ATOM 1177 OD1 ASP A 115 15.348 -4.198 -11.354 1.00 1.11 O ATOM 1178 OD2 ASP A 115 16.550 -6.028 -11.306 1.00 1.88 O ATOM 0 H ASP A 115 18.247 -3.662 -7.675 1.00 0.40 H new ATOM 0 HA ASP A 115 15.536 -3.676 -8.428 1.00 0.41 H new ATOM 0 HB2 ASP A 115 17.383 -3.283 -9.993 1.00 0.53 H new ATOM 0 HB3 ASP A 115 18.045 -4.875 -9.675 1.00 0.53 H new ATOM 1183 N SER A 116 16.629 -6.455 -7.248 1.00 0.38 N ATOM 1184 CA SER A 116 16.317 -7.842 -6.946 1.00 0.44 C ATOM 1185 C SER A 116 15.268 -7.930 -5.837 1.00 0.40 C ATOM 1186 O SER A 116 14.584 -8.948 -5.689 1.00 0.51 O ATOM 1187 CB SER A 116 17.599 -8.577 -6.545 1.00 0.54 C ATOM 1188 OG SER A 116 17.393 -9.978 -6.462 1.00 0.92 O ATOM 0 H SER A 116 17.443 -6.088 -6.755 1.00 0.38 H new ATOM 0 HA SER A 116 15.900 -8.317 -7.834 1.00 0.44 H new ATOM 0 HB2 SER A 116 18.383 -8.366 -7.273 1.00 0.54 H new ATOM 0 HB3 SER A 116 17.948 -8.202 -5.583 1.00 0.54 H new ATOM 0 HG SER A 116 18.231 -10.417 -6.206 1.00 0.92 H new ATOM 1194 N ASP A 117 15.126 -6.853 -5.071 1.00 0.28 N ATOM 1195 CA ASP A 117 14.165 -6.823 -3.974 1.00 0.28 C ATOM 1196 C ASP A 117 12.870 -6.179 -4.431 1.00 0.22 C ATOM 1197 O ASP A 117 11.801 -6.435 -3.874 1.00 0.24 O ATOM 1198 CB ASP A 117 14.721 -6.059 -2.772 1.00 0.34 C ATOM 1199 CG ASP A 117 15.875 -6.775 -2.101 1.00 1.08 C ATOM 1200 OD1 ASP A 117 15.750 -7.984 -1.814 1.00 1.90 O ATOM 1201 OD2 ASP A 117 16.916 -6.134 -1.864 1.00 1.04 O ATOM 0 H ASP A 117 15.662 -5.993 -5.189 1.00 0.28 H new ATOM 0 HA ASP A 117 13.973 -7.852 -3.670 1.00 0.28 H new ATOM 0 HB2 ASP A 117 15.051 -5.072 -3.096 1.00 0.34 H new ATOM 0 HB3 ASP A 117 13.923 -5.905 -2.045 1.00 0.34 H new ATOM 1206 N ILE A 118 12.982 -5.340 -5.448 1.00 0.23 N ATOM 1207 CA ILE A 118 11.839 -4.655 -6.023 1.00 0.22 C ATOM 1208 C ILE A 118 10.836 -5.645 -6.583 1.00 0.26 C ATOM 1209 O ILE A 118 11.122 -6.365 -7.539 1.00 0.34 O ATOM 1210 CB ILE A 118 12.275 -3.699 -7.149 1.00 0.26 C ATOM 1211 CG1 ILE A 118 13.213 -2.633 -6.594 1.00 0.26 C ATOM 1212 CG2 ILE A 118 11.063 -3.055 -7.808 1.00 0.31 C ATOM 1213 CD1 ILE A 118 13.968 -1.873 -7.661 1.00 0.32 C ATOM 0 H ILE A 118 13.870 -5.115 -5.898 1.00 0.23 H new ATOM 0 HA ILE A 118 11.373 -4.081 -5.222 1.00 0.22 H new ATOM 0 HB ILE A 118 12.806 -4.273 -7.908 1.00 0.26 H new ATOM 0 HG12 ILE A 118 12.634 -1.927 -5.998 1.00 0.26 H new ATOM 0 HG13 ILE A 118 13.929 -3.106 -5.922 1.00 0.26 H new ATOM 0 HG21 ILE A 118 11.394 -2.384 -8.600 1.00 0.31 H new ATOM 0 HG22 ILE A 118 10.425 -3.830 -8.232 1.00 0.31 H new ATOM 0 HG23 ILE A 118 10.502 -2.490 -7.064 1.00 0.31 H new ATOM 0 HD11 ILE A 118 14.615 -1.132 -7.191 1.00 0.32 H new ATOM 0 HD12 ILE A 118 14.574 -2.568 -8.242 1.00 0.32 H new ATOM 0 HD13 ILE A 118 13.260 -1.371 -8.320 1.00 0.32 H new ATOM 1225 N VAL A 119 9.671 -5.691 -5.968 1.00 0.24 N ATOM 1226 CA VAL A 119 8.590 -6.497 -6.479 1.00 0.31 C ATOM 1227 C VAL A 119 7.752 -5.656 -7.439 1.00 0.27 C ATOM 1228 O VAL A 119 7.139 -6.176 -8.372 1.00 0.31 O ATOM 1229 CB VAL A 119 7.700 -7.049 -5.347 1.00 0.36 C ATOM 1230 CG1 VAL A 119 6.732 -8.075 -5.901 1.00 0.47 C ATOM 1231 CG2 VAL A 119 8.542 -7.650 -4.231 1.00 0.38 C ATOM 0 H VAL A 119 9.453 -5.178 -5.114 1.00 0.24 H new ATOM 0 HA VAL A 119 9.018 -7.352 -7.002 1.00 0.31 H new ATOM 0 HB VAL A 119 7.131 -6.222 -4.923 1.00 0.36 H new ATOM 0 HG11 VAL A 119 6.108 -8.459 -5.094 1.00 0.47 H new ATOM 0 HG12 VAL A 119 6.101 -7.609 -6.657 1.00 0.47 H new ATOM 0 HG13 VAL A 119 7.290 -8.896 -6.350 1.00 0.47 H new ATOM 0 HG21 VAL A 119 7.888 -8.031 -3.447 1.00 0.38 H new ATOM 0 HG22 VAL A 119 9.145 -8.466 -4.629 1.00 0.38 H new ATOM 0 HG23 VAL A 119 9.197 -6.884 -3.817 1.00 0.38 H new ATOM 1241 N ASN A 120 7.754 -4.346 -7.206 1.00 0.25 N ATOM 1242 CA ASN A 120 7.027 -3.406 -8.060 1.00 0.24 C ATOM 1243 C ASN A 120 7.423 -1.966 -7.743 1.00 0.23 C ATOM 1244 O ASN A 120 7.991 -1.682 -6.690 1.00 0.26 O ATOM 1245 CB ASN A 120 5.518 -3.603 -7.871 1.00 0.31 C ATOM 1246 CG ASN A 120 4.665 -2.728 -8.761 1.00 0.54 C ATOM 1247 OD1 ASN A 120 4.399 -3.066 -9.912 1.00 1.17 O ATOM 1248 ND2 ASN A 120 4.195 -1.616 -8.219 1.00 0.36 N ATOM 0 H ASN A 120 8.252 -3.909 -6.431 1.00 0.25 H new ATOM 0 HA ASN A 120 7.286 -3.602 -9.100 1.00 0.24 H new ATOM 0 HB2 ASN A 120 5.272 -4.647 -8.063 1.00 0.31 H new ATOM 0 HB3 ASN A 120 5.264 -3.402 -6.830 1.00 0.31 H new ATOM 0 HD21 ASN A 120 3.587 -1.002 -8.761 1.00 0.36 H new ATOM 0 HD22 ASN A 120 4.441 -1.373 -7.259 1.00 0.36 H new ATOM 1255 N GLU A 121 7.120 -1.070 -8.662 1.00 0.24 N ATOM 1256 CA GLU A 121 7.401 0.347 -8.492 1.00 0.25 C ATOM 1257 C GLU A 121 6.105 1.137 -8.453 1.00 0.25 C ATOM 1258 O GLU A 121 5.210 0.930 -9.274 1.00 0.32 O ATOM 1259 CB GLU A 121 8.291 0.870 -9.626 1.00 0.31 C ATOM 1260 CG GLU A 121 8.380 2.390 -9.686 1.00 0.35 C ATOM 1261 CD GLU A 121 8.764 2.910 -11.059 1.00 0.71 C ATOM 1262 OE1 GLU A 121 9.840 2.522 -11.568 1.00 1.24 O ATOM 1263 OE2 GLU A 121 8.007 3.721 -11.630 1.00 1.17 O ATOM 0 H GLU A 121 6.672 -1.301 -9.549 1.00 0.24 H new ATOM 0 HA GLU A 121 7.931 0.475 -7.548 1.00 0.25 H new ATOM 0 HB2 GLU A 121 9.294 0.461 -9.506 1.00 0.31 H new ATOM 0 HB3 GLU A 121 7.907 0.500 -10.577 1.00 0.31 H new ATOM 0 HG2 GLU A 121 7.419 2.816 -9.399 1.00 0.35 H new ATOM 0 HG3 GLU A 121 9.112 2.734 -8.956 1.00 0.35 H new ATOM 1270 N ILE A 122 6.008 2.031 -7.492 1.00 0.21 N ATOM 1271 CA ILE A 122 4.876 2.925 -7.395 1.00 0.23 C ATOM 1272 C ILE A 122 5.359 4.350 -7.606 1.00 0.26 C ATOM 1273 O ILE A 122 6.530 4.568 -7.920 1.00 0.25 O ATOM 1274 CB ILE A 122 4.134 2.787 -6.051 1.00 0.26 C ATOM 1275 CG1 ILE A 122 5.075 3.071 -4.880 1.00 0.27 C ATOM 1276 CG2 ILE A 122 3.526 1.395 -5.929 1.00 0.27 C ATOM 1277 CD1 ILE A 122 4.460 2.796 -3.530 1.00 0.31 C ATOM 0 H ILE A 122 6.708 2.158 -6.761 1.00 0.21 H new ATOM 0 HA ILE A 122 4.156 2.658 -8.169 1.00 0.23 H new ATOM 0 HB ILE A 122 3.330 3.522 -6.021 1.00 0.26 H new ATOM 0 HG12 ILE A 122 5.973 2.464 -4.991 1.00 0.27 H new ATOM 0 HG13 ILE A 122 5.388 4.114 -4.921 1.00 0.27 H new ATOM 0 HG21 ILE A 122 3.004 1.308 -4.976 1.00 0.27 H new ATOM 0 HG22 ILE A 122 2.821 1.233 -6.745 1.00 0.27 H new ATOM 0 HG23 ILE A 122 4.317 0.647 -5.979 1.00 0.27 H new ATOM 0 HD11 ILE A 122 5.185 3.020 -2.747 1.00 0.31 H new ATOM 0 HD12 ILE A 122 3.578 3.423 -3.398 1.00 0.31 H new ATOM 0 HD13 ILE A 122 4.172 1.747 -3.468 1.00 0.31 H new ATOM 1289 N LYS A 123 4.475 5.313 -7.480 1.00 0.30 N ATOM 1290 CA LYS A 123 4.838 6.690 -7.745 1.00 0.34 C ATOM 1291 C LYS A 123 5.724 7.241 -6.640 1.00 0.36 C ATOM 1292 O LYS A 123 5.303 7.372 -5.494 1.00 0.42 O ATOM 1293 CB LYS A 123 3.580 7.527 -7.903 1.00 0.39 C ATOM 1294 CG LYS A 123 3.813 8.831 -8.636 1.00 0.48 C ATOM 1295 CD LYS A 123 2.586 9.259 -9.424 1.00 0.75 C ATOM 1296 CE LYS A 123 1.329 9.217 -8.574 1.00 1.35 C ATOM 1297 NZ LYS A 123 1.383 10.176 -7.438 1.00 2.15 N ATOM 0 H LYS A 123 3.505 5.172 -7.198 1.00 0.30 H new ATOM 0 HA LYS A 123 5.409 6.733 -8.673 1.00 0.34 H new ATOM 0 HB2 LYS A 123 2.831 6.946 -8.441 1.00 0.39 H new ATOM 0 HB3 LYS A 123 3.169 7.742 -6.916 1.00 0.39 H new ATOM 0 HG2 LYS A 123 4.075 9.609 -7.920 1.00 0.48 H new ATOM 0 HG3 LYS A 123 4.660 8.722 -9.313 1.00 0.48 H new ATOM 0 HD2 LYS A 123 2.733 10.269 -9.806 1.00 0.75 H new ATOM 0 HD3 LYS A 123 2.463 8.606 -10.288 1.00 0.75 H new ATOM 0 HE2 LYS A 123 0.464 9.444 -9.197 1.00 1.35 H new ATOM 0 HE3 LYS A 123 1.188 8.207 -8.188 1.00 1.35 H new ATOM 0 HZ1 LYS A 123 0.503 10.111 -6.887 1.00 2.15 H new ATOM 0 HZ2 LYS A 123 2.192 9.945 -6.827 1.00 2.15 H new ATOM 0 HZ3 LYS A 123 1.491 11.143 -7.805 1.00 2.15 H new ATOM 1311 N GLY A 124 6.964 7.531 -7.001 1.00 0.37 N ATOM 1312 CA GLY A 124 7.911 8.105 -6.067 1.00 0.42 C ATOM 1313 C GLY A 124 8.590 7.064 -5.198 1.00 0.38 C ATOM 1314 O GLY A 124 9.751 7.221 -4.813 1.00 0.42 O ATOM 0 H GLY A 124 7.336 7.376 -7.938 1.00 0.37 H new ATOM 0 HA2 GLY A 124 8.669 8.659 -6.621 1.00 0.42 H new ATOM 0 HA3 GLY A 124 7.395 8.822 -5.429 1.00 0.42 H new ATOM 1318 N GLY A 125 7.860 6.012 -4.868 1.00 0.34 N ATOM 1319 CA GLY A 125 8.412 4.943 -4.070 1.00 0.31 C ATOM 1320 C GLY A 125 8.479 3.628 -4.822 1.00 0.25 C ATOM 1321 O GLY A 125 7.946 3.499 -5.918 1.00 0.29 O ATOM 0 H GLY A 125 6.886 5.880 -5.142 1.00 0.34 H new ATOM 0 HA2 GLY A 125 9.413 5.220 -3.741 1.00 0.31 H new ATOM 0 HA3 GLY A 125 7.806 4.814 -3.173 1.00 0.31 H new ATOM 1325 N TYR A 126 9.149 2.658 -4.236 1.00 0.19 N ATOM 1326 CA TYR A 126 9.164 1.306 -4.764 1.00 0.16 C ATOM 1327 C TYR A 126 8.631 0.357 -3.717 1.00 0.16 C ATOM 1328 O TYR A 126 9.165 0.292 -2.612 1.00 0.17 O ATOM 1329 CB TYR A 126 10.584 0.880 -5.156 1.00 0.15 C ATOM 1330 CG TYR A 126 10.998 1.294 -6.546 1.00 0.18 C ATOM 1331 CD1 TYR A 126 11.146 2.625 -6.871 1.00 0.24 C ATOM 1332 CD2 TYR A 126 11.228 0.349 -7.535 1.00 0.21 C ATOM 1333 CE1 TYR A 126 11.515 3.014 -8.139 1.00 0.29 C ATOM 1334 CE2 TYR A 126 11.603 0.729 -8.810 1.00 0.27 C ATOM 1335 CZ TYR A 126 11.747 2.066 -9.103 1.00 0.30 C ATOM 1336 OH TYR A 126 12.115 2.465 -10.367 1.00 0.38 O ATOM 0 H TYR A 126 9.697 2.781 -3.384 1.00 0.19 H new ATOM 0 HA TYR A 126 8.538 1.278 -5.656 1.00 0.16 H new ATOM 0 HB2 TYR A 126 11.288 1.303 -4.439 1.00 0.15 H new ATOM 0 HB3 TYR A 126 10.660 -0.204 -5.075 1.00 0.15 H new ATOM 0 HD1 TYR A 126 10.969 3.377 -6.117 1.00 0.24 H new ATOM 0 HD2 TYR A 126 11.112 -0.700 -7.305 1.00 0.21 H new ATOM 0 HE1 TYR A 126 11.622 4.063 -8.374 1.00 0.29 H new ATOM 0 HE2 TYR A 126 11.782 -0.017 -9.570 1.00 0.27 H new ATOM 0 HH TYR A 126 11.417 2.212 -11.006 1.00 0.38 H new ATOM 1346 N VAL A 127 7.576 -0.365 -4.042 1.00 0.18 N ATOM 1347 CA VAL A 127 7.096 -1.388 -3.141 1.00 0.20 C ATOM 1348 C VAL A 127 8.001 -2.605 -3.288 1.00 0.17 C ATOM 1349 O VAL A 127 8.018 -3.288 -4.317 1.00 0.20 O ATOM 1350 CB VAL A 127 5.605 -1.736 -3.382 1.00 0.29 C ATOM 1351 CG1 VAL A 127 5.327 -2.058 -4.841 1.00 0.55 C ATOM 1352 CG2 VAL A 127 5.176 -2.883 -2.484 1.00 0.60 C ATOM 0 H VAL A 127 7.045 -0.264 -4.907 1.00 0.18 H new ATOM 0 HA VAL A 127 7.138 -1.019 -2.116 1.00 0.20 H new ATOM 0 HB VAL A 127 5.016 -0.855 -3.129 1.00 0.29 H new ATOM 0 HG11 VAL A 127 4.271 -2.296 -4.966 1.00 0.55 H new ATOM 0 HG12 VAL A 127 5.580 -1.196 -5.458 1.00 0.55 H new ATOM 0 HG13 VAL A 127 5.930 -2.913 -5.146 1.00 0.55 H new ATOM 0 HG21 VAL A 127 4.127 -3.115 -2.666 1.00 0.60 H new ATOM 0 HG22 VAL A 127 5.784 -3.761 -2.700 1.00 0.60 H new ATOM 0 HG23 VAL A 127 5.309 -2.597 -1.440 1.00 0.60 H new ATOM 1362 N ILE A 128 8.770 -2.855 -2.252 1.00 0.14 N ATOM 1363 CA ILE A 128 9.887 -3.770 -2.340 1.00 0.12 C ATOM 1364 C ILE A 128 9.840 -4.803 -1.243 1.00 0.13 C ATOM 1365 O ILE A 128 9.279 -4.568 -0.178 1.00 0.16 O ATOM 1366 CB ILE A 128 11.227 -3.005 -2.250 1.00 0.13 C ATOM 1367 CG1 ILE A 128 11.284 -2.165 -0.961 1.00 0.16 C ATOM 1368 CG2 ILE A 128 11.416 -2.126 -3.476 1.00 0.16 C ATOM 1369 CD1 ILE A 128 12.491 -1.262 -0.874 1.00 0.19 C ATOM 0 H ILE A 128 8.641 -2.434 -1.332 1.00 0.14 H new ATOM 0 HA ILE A 128 9.815 -4.274 -3.304 1.00 0.12 H new ATOM 0 HB ILE A 128 12.040 -3.730 -2.218 1.00 0.13 H new ATOM 0 HG12 ILE A 128 10.382 -1.557 -0.895 1.00 0.16 H new ATOM 0 HG13 ILE A 128 11.281 -2.835 -0.101 1.00 0.16 H new ATOM 0 HG21 ILE A 128 12.364 -1.593 -3.399 1.00 0.16 H new ATOM 0 HG22 ILE A 128 11.421 -2.747 -4.372 1.00 0.16 H new ATOM 0 HG23 ILE A 128 10.599 -1.407 -3.537 1.00 0.16 H new ATOM 0 HD11 ILE A 128 12.461 -0.703 0.061 1.00 0.19 H new ATOM 0 HD12 ILE A 128 13.399 -1.864 -0.907 1.00 0.19 H new ATOM 0 HD13 ILE A 128 12.486 -0.566 -1.713 1.00 0.19 H new ATOM 1381 N LYS A 129 10.424 -5.948 -1.509 1.00 0.15 N ATOM 1382 CA LYS A 129 10.578 -6.959 -0.492 1.00 0.18 C ATOM 1383 C LYS A 129 12.057 -7.232 -0.279 1.00 0.19 C ATOM 1384 O LYS A 129 12.697 -7.919 -1.073 1.00 0.20 O ATOM 1385 CB LYS A 129 9.848 -8.244 -0.884 1.00 0.22 C ATOM 1386 CG LYS A 129 9.933 -9.324 0.178 1.00 0.28 C ATOM 1387 CD LYS A 129 9.150 -10.564 -0.209 1.00 0.40 C ATOM 1388 CE LYS A 129 9.273 -11.634 0.858 1.00 0.51 C ATOM 1389 NZ LYS A 129 8.536 -12.873 0.503 1.00 0.76 N ATOM 0 H LYS A 129 10.800 -6.202 -2.422 1.00 0.15 H new ATOM 0 HA LYS A 129 10.137 -6.598 0.437 1.00 0.18 H new ATOM 0 HB2 LYS A 129 8.800 -8.015 -1.078 1.00 0.22 H new ATOM 0 HB3 LYS A 129 10.269 -8.624 -1.815 1.00 0.22 H new ATOM 0 HG2 LYS A 129 10.977 -9.591 0.341 1.00 0.28 H new ATOM 0 HG3 LYS A 129 9.552 -8.935 1.122 1.00 0.28 H new ATOM 0 HD2 LYS A 129 8.101 -10.307 -0.353 1.00 0.40 H new ATOM 0 HD3 LYS A 129 9.517 -10.949 -1.160 1.00 0.40 H new ATOM 0 HE2 LYS A 129 10.326 -11.872 1.011 1.00 0.51 H new ATOM 0 HE3 LYS A 129 8.893 -11.246 1.803 1.00 0.51 H new ATOM 0 HZ1 LYS A 129 8.650 -13.574 1.262 1.00 0.76 H new ATOM 0 HZ2 LYS A 129 7.526 -12.654 0.382 1.00 0.76 H new ATOM 0 HZ3 LYS A 129 8.915 -13.260 -0.385 1.00 0.76 H new ATOM 1403 N VAL A 130 12.586 -6.697 0.804 1.00 0.21 N ATOM 1404 CA VAL A 130 13.987 -6.843 1.121 1.00 0.24 C ATOM 1405 C VAL A 130 14.126 -7.569 2.446 1.00 0.29 C ATOM 1406 O VAL A 130 13.349 -7.331 3.376 1.00 0.29 O ATOM 1407 CB VAL A 130 14.714 -5.467 1.169 1.00 0.24 C ATOM 1408 CG1 VAL A 130 13.922 -4.413 0.418 1.00 0.26 C ATOM 1409 CG2 VAL A 130 14.978 -4.990 2.592 1.00 0.26 C ATOM 0 H VAL A 130 12.057 -6.152 1.484 1.00 0.21 H new ATOM 0 HA VAL A 130 14.462 -7.427 0.332 1.00 0.24 H new ATOM 0 HB VAL A 130 15.680 -5.614 0.686 1.00 0.24 H new ATOM 0 HG11 VAL A 130 14.449 -3.460 0.465 1.00 0.26 H new ATOM 0 HG12 VAL A 130 13.810 -4.715 -0.623 1.00 0.26 H new ATOM 0 HG13 VAL A 130 12.937 -4.306 0.872 1.00 0.26 H new ATOM 0 HG21 VAL A 130 15.487 -4.026 2.564 1.00 0.26 H new ATOM 0 HG22 VAL A 130 14.031 -4.886 3.122 1.00 0.26 H new ATOM 0 HG23 VAL A 130 15.605 -5.716 3.109 1.00 0.26 H new ATOM 1419 N ASP A 131 15.067 -8.500 2.503 1.00 0.36 N ATOM 1420 CA ASP A 131 15.364 -9.225 3.731 1.00 0.44 C ATOM 1421 C ASP A 131 14.122 -9.983 4.217 1.00 0.43 C ATOM 1422 O ASP A 131 13.940 -10.230 5.408 1.00 0.50 O ATOM 1423 CB ASP A 131 15.876 -8.236 4.787 1.00 0.48 C ATOM 1424 CG ASP A 131 16.494 -8.905 5.999 1.00 0.59 C ATOM 1425 OD1 ASP A 131 17.654 -9.361 5.918 1.00 0.74 O ATOM 1426 OD2 ASP A 131 15.811 -8.999 7.038 1.00 0.59 O ATOM 0 H ASP A 131 15.643 -8.773 1.706 1.00 0.36 H new ATOM 0 HA ASP A 131 16.142 -9.966 3.546 1.00 0.44 H new ATOM 0 HB2 ASP A 131 16.616 -7.579 4.329 1.00 0.48 H new ATOM 0 HB3 ASP A 131 15.049 -7.606 5.113 1.00 0.48 H new ATOM 1431 N GLY A 132 13.255 -10.330 3.271 1.00 0.39 N ATOM 1432 CA GLY A 132 12.059 -11.089 3.588 1.00 0.40 C ATOM 1433 C GLY A 132 10.879 -10.211 3.965 1.00 0.40 C ATOM 1434 O GLY A 132 9.767 -10.707 4.149 1.00 0.59 O ATOM 0 H GLY A 132 13.361 -10.097 2.284 1.00 0.39 H new ATOM 0 HA2 GLY A 132 11.788 -11.703 2.729 1.00 0.40 H new ATOM 0 HA3 GLY A 132 12.275 -11.770 4.411 1.00 0.40 H new ATOM 1438 N LYS A 133 11.110 -8.912 4.066 1.00 0.30 N ATOM 1439 CA LYS A 133 10.076 -7.980 4.491 1.00 0.29 C ATOM 1440 C LYS A 133 9.729 -7.001 3.392 1.00 0.26 C ATOM 1441 O LYS A 133 10.539 -6.711 2.521 1.00 0.33 O ATOM 1442 CB LYS A 133 10.534 -7.218 5.730 1.00 0.33 C ATOM 1443 CG LYS A 133 10.482 -8.045 6.993 1.00 0.40 C ATOM 1444 CD LYS A 133 11.282 -7.411 8.116 1.00 0.80 C ATOM 1445 CE LYS A 133 12.772 -7.431 7.816 1.00 0.62 C ATOM 1446 NZ LYS A 133 13.304 -8.815 7.736 1.00 1.15 N ATOM 0 H LYS A 133 12.009 -8.477 3.858 1.00 0.30 H new ATOM 0 HA LYS A 133 9.183 -8.559 4.727 1.00 0.29 H new ATOM 0 HB2 LYS A 133 11.554 -6.867 5.576 1.00 0.33 H new ATOM 0 HB3 LYS A 133 9.908 -6.334 5.857 1.00 0.33 H new ATOM 0 HG2 LYS A 133 9.445 -8.163 7.307 1.00 0.40 H new ATOM 0 HG3 LYS A 133 10.869 -9.043 6.790 1.00 0.40 H new ATOM 0 HD2 LYS A 133 10.953 -6.382 8.263 1.00 0.80 H new ATOM 0 HD3 LYS A 133 11.090 -7.944 9.047 1.00 0.80 H new ATOM 0 HE2 LYS A 133 12.959 -6.915 6.874 1.00 0.62 H new ATOM 0 HE3 LYS A 133 13.306 -6.882 8.592 1.00 0.62 H new ATOM 0 HZ1 LYS A 133 14.330 -8.803 7.904 1.00 1.15 H new ATOM 0 HZ2 LYS A 133 12.843 -9.406 8.456 1.00 1.15 H new ATOM 0 HZ3 LYS A 133 13.112 -9.207 6.792 1.00 1.15 H new ATOM 1460 N TYR A 134 8.521 -6.487 3.453 1.00 0.25 N ATOM 1461 CA TYR A 134 8.046 -5.543 2.459 1.00 0.23 C ATOM 1462 C TYR A 134 8.190 -4.112 2.944 1.00 0.22 C ATOM 1463 O TYR A 134 7.848 -3.787 4.086 1.00 0.26 O ATOM 1464 CB TYR A 134 6.593 -5.816 2.109 1.00 0.28 C ATOM 1465 CG TYR A 134 6.392 -6.367 0.722 1.00 0.46 C ATOM 1466 CD1 TYR A 134 6.235 -5.528 -0.372 1.00 0.64 C ATOM 1467 CD2 TYR A 134 6.341 -7.727 0.514 1.00 0.63 C ATOM 1468 CE1 TYR A 134 6.026 -6.041 -1.637 1.00 0.88 C ATOM 1469 CE2 TYR A 134 6.128 -8.248 -0.748 1.00 0.86 C ATOM 1470 CZ TYR A 134 5.969 -7.402 -1.814 1.00 0.91 C ATOM 1471 OH TYR A 134 5.732 -7.927 -3.060 1.00 1.22 O ATOM 0 H TYR A 134 7.844 -6.707 4.184 1.00 0.25 H new ATOM 0 HA TYR A 134 8.661 -5.672 1.568 1.00 0.23 H new ATOM 0 HB2 TYR A 134 6.182 -6.520 2.832 1.00 0.28 H new ATOM 0 HB3 TYR A 134 6.026 -4.890 2.207 1.00 0.28 H new ATOM 0 HD1 TYR A 134 6.277 -4.458 -0.232 1.00 0.64 H new ATOM 0 HD2 TYR A 134 6.470 -8.398 1.351 1.00 0.63 H new ATOM 0 HE1 TYR A 134 5.908 -5.377 -2.481 1.00 0.88 H new ATOM 0 HE2 TYR A 134 6.087 -9.317 -0.893 1.00 0.86 H new ATOM 0 HH TYR A 134 5.393 -7.224 -3.652 1.00 1.22 H new ATOM 1481 N TYR A 135 8.698 -3.272 2.064 1.00 0.19 N ATOM 1482 CA TYR A 135 8.880 -1.862 2.339 1.00 0.20 C ATOM 1483 C TYR A 135 8.436 -1.055 1.145 1.00 0.19 C ATOM 1484 O TYR A 135 8.110 -1.603 0.092 1.00 0.21 O ATOM 1485 CB TYR A 135 10.351 -1.529 2.608 1.00 0.19 C ATOM 1486 CG TYR A 135 11.001 -2.326 3.695 1.00 0.21 C ATOM 1487 CD1 TYR A 135 11.543 -3.565 3.424 1.00 0.22 C ATOM 1488 CD2 TYR A 135 11.100 -1.827 4.980 1.00 0.28 C ATOM 1489 CE1 TYR A 135 12.164 -4.292 4.393 1.00 0.26 C ATOM 1490 CE2 TYR A 135 11.720 -2.551 5.969 1.00 0.32 C ATOM 1491 CZ TYR A 135 12.254 -3.789 5.674 1.00 0.31 C ATOM 1492 OH TYR A 135 12.881 -4.516 6.659 1.00 0.37 O ATOM 0 H TYR A 135 8.998 -3.552 1.130 1.00 0.19 H new ATOM 0 HA TYR A 135 8.289 -1.620 3.222 1.00 0.20 H new ATOM 0 HB2 TYR A 135 10.914 -1.677 1.686 1.00 0.19 H new ATOM 0 HB3 TYR A 135 10.426 -0.472 2.861 1.00 0.19 H new ATOM 0 HD1 TYR A 135 11.473 -3.966 2.424 1.00 0.22 H new ATOM 0 HD2 TYR A 135 10.685 -0.857 5.209 1.00 0.28 H new ATOM 0 HE1 TYR A 135 12.585 -5.259 4.160 1.00 0.26 H new ATOM 0 HE2 TYR A 135 11.789 -2.154 6.971 1.00 0.32 H new ATOM 0 HH TYR A 135 12.856 -4.015 7.501 1.00 0.37 H new ATOM 1502 N VAL A 136 8.427 0.243 1.319 1.00 0.21 N ATOM 1503 CA VAL A 136 8.219 1.156 0.228 1.00 0.22 C ATOM 1504 C VAL A 136 9.355 2.159 0.198 1.00 0.23 C ATOM 1505 O VAL A 136 9.488 3.012 1.080 1.00 0.31 O ATOM 1506 CB VAL A 136 6.852 1.855 0.325 1.00 0.25 C ATOM 1507 CG1 VAL A 136 6.727 2.957 -0.718 1.00 0.26 C ATOM 1508 CG2 VAL A 136 5.746 0.823 0.149 1.00 0.26 C ATOM 0 H VAL A 136 8.564 0.695 2.223 1.00 0.21 H new ATOM 0 HA VAL A 136 8.213 0.595 -0.707 1.00 0.22 H new ATOM 0 HB VAL A 136 6.761 2.319 1.307 1.00 0.25 H new ATOM 0 HG11 VAL A 136 5.751 3.435 -0.627 1.00 0.26 H new ATOM 0 HG12 VAL A 136 7.510 3.698 -0.560 1.00 0.26 H new ATOM 0 HG13 VAL A 136 6.830 2.528 -1.715 1.00 0.26 H new ATOM 0 HG21 VAL A 136 4.776 1.315 0.217 1.00 0.26 H new ATOM 0 HG22 VAL A 136 5.844 0.347 -0.827 1.00 0.26 H new ATOM 0 HG23 VAL A 136 5.826 0.067 0.931 1.00 0.26 H new ATOM 1518 N TYR A 137 10.186 2.020 -0.812 1.00 0.20 N ATOM 1519 CA TYR A 137 11.365 2.844 -0.966 1.00 0.24 C ATOM 1520 C TYR A 137 11.001 4.183 -1.526 1.00 0.27 C ATOM 1521 O TYR A 137 10.720 4.316 -2.706 1.00 0.46 O ATOM 1522 CB TYR A 137 12.364 2.162 -1.897 1.00 0.35 C ATOM 1523 CG TYR A 137 13.412 3.109 -2.406 1.00 0.50 C ATOM 1524 CD1 TYR A 137 14.320 3.641 -1.536 1.00 0.59 C ATOM 1525 CD2 TYR A 137 13.474 3.489 -3.739 1.00 0.63 C ATOM 1526 CE1 TYR A 137 15.280 4.527 -1.956 1.00 0.76 C ATOM 1527 CE2 TYR A 137 14.435 4.377 -4.176 1.00 0.78 C ATOM 1528 CZ TYR A 137 15.337 4.894 -3.277 1.00 0.77 C ATOM 1529 OH TYR A 137 16.304 5.777 -3.702 1.00 1.01 O ATOM 0 H TYR A 137 10.062 1.329 -1.552 1.00 0.20 H new ATOM 0 HA TYR A 137 11.817 2.980 0.016 1.00 0.24 H new ATOM 0 HB2 TYR A 137 12.847 1.340 -1.368 1.00 0.35 H new ATOM 0 HB3 TYR A 137 11.830 1.727 -2.742 1.00 0.35 H new ATOM 0 HD1 TYR A 137 14.282 3.358 -0.494 1.00 0.59 H new ATOM 0 HD2 TYR A 137 12.761 3.085 -4.443 1.00 0.63 H new ATOM 0 HE1 TYR A 137 15.988 4.934 -1.249 1.00 0.76 H new ATOM 0 HE2 TYR A 137 14.478 4.664 -5.216 1.00 0.78 H new ATOM 0 HH TYR A 137 16.206 5.931 -4.665 1.00 1.01 H new ATOM 1539 N LEU A 138 11.023 5.178 -0.680 1.00 0.29 N ATOM 1540 CA LEU A 138 10.659 6.491 -1.107 1.00 0.38 C ATOM 1541 C LEU A 138 11.882 7.285 -1.496 1.00 0.44 C ATOM 1542 O LEU A 138 12.835 7.402 -0.728 1.00 0.50 O ATOM 1543 CB LEU A 138 9.902 7.194 -0.010 1.00 0.48 C ATOM 1544 CG LEU A 138 8.884 8.199 -0.521 1.00 0.64 C ATOM 1545 CD1 LEU A 138 7.831 7.494 -1.365 1.00 0.72 C ATOM 1546 CD2 LEU A 138 8.248 8.945 0.632 1.00 0.72 C ATOM 0 H LEU A 138 11.288 5.100 0.302 1.00 0.29 H new ATOM 0 HA LEU A 138 10.017 6.408 -1.984 1.00 0.38 H new ATOM 0 HB2 LEU A 138 9.391 6.450 0.601 1.00 0.48 H new ATOM 0 HB3 LEU A 138 10.612 7.707 0.639 1.00 0.48 H new ATOM 0 HG LEU A 138 9.394 8.929 -1.149 1.00 0.64 H new ATOM 0 HD11 LEU A 138 7.106 8.223 -1.726 1.00 0.72 H new ATOM 0 HD12 LEU A 138 8.311 7.008 -2.214 1.00 0.72 H new ATOM 0 HD13 LEU A 138 7.321 6.745 -0.759 1.00 0.72 H new ATOM 0 HD21 LEU A 138 7.522 9.660 0.246 1.00 0.72 H new ATOM 0 HD22 LEU A 138 7.745 8.237 1.290 1.00 0.72 H new ATOM 0 HD23 LEU A 138 9.018 9.476 1.191 1.00 0.72 H new ATOM 1558 N LYS A 139 11.850 7.815 -2.700 1.00 0.46 N ATOM 1559 CA LYS A 139 12.940 8.624 -3.200 1.00 0.54 C ATOM 1560 C LYS A 139 12.836 10.048 -2.658 1.00 0.64 C ATOM 1561 O LYS A 139 13.814 10.795 -2.650 1.00 0.74 O ATOM 1562 CB LYS A 139 12.939 8.612 -4.725 1.00 0.56 C ATOM 1563 CG LYS A 139 13.128 7.220 -5.305 1.00 0.50 C ATOM 1564 CD LYS A 139 13.110 7.237 -6.826 1.00 0.59 C ATOM 1565 CE LYS A 139 11.740 7.625 -7.365 1.00 1.51 C ATOM 1566 NZ LYS A 139 11.732 7.712 -8.848 1.00 2.31 N ATOM 0 H LYS A 139 11.076 7.699 -3.354 1.00 0.46 H new ATOM 0 HA LYS A 139 13.885 8.204 -2.856 1.00 0.54 H new ATOM 0 HB2 LYS A 139 11.998 9.026 -5.086 1.00 0.56 H new ATOM 0 HB3 LYS A 139 13.734 9.263 -5.089 1.00 0.56 H new ATOM 0 HG2 LYS A 139 14.074 6.806 -4.957 1.00 0.50 H new ATOM 0 HG3 LYS A 139 12.339 6.563 -4.939 1.00 0.50 H new ATOM 0 HD2 LYS A 139 13.858 7.940 -7.192 1.00 0.59 H new ATOM 0 HD3 LYS A 139 13.386 6.253 -7.205 1.00 0.59 H new ATOM 0 HE2 LYS A 139 11.001 6.892 -7.040 1.00 1.51 H new ATOM 0 HE3 LYS A 139 11.443 8.585 -6.943 1.00 1.51 H new ATOM 0 HZ1 LYS A 139 10.781 7.979 -9.175 1.00 2.31 H new ATOM 0 HZ2 LYS A 139 12.418 8.429 -9.157 1.00 2.31 H new ATOM 0 HZ3 LYS A 139 11.991 6.789 -9.251 1.00 2.31 H new ATOM 1580 N ASP A 140 11.645 10.413 -2.185 1.00 0.66 N ATOM 1581 CA ASP A 140 11.438 11.706 -1.540 1.00 0.78 C ATOM 1582 C ASP A 140 10.716 11.501 -0.215 1.00 0.77 C ATOM 1583 O ASP A 140 9.498 11.669 -0.118 1.00 0.88 O ATOM 1584 CB ASP A 140 10.625 12.647 -2.432 1.00 1.00 C ATOM 1585 CG ASP A 140 10.676 14.095 -1.965 1.00 1.24 C ATOM 1586 OD1 ASP A 140 10.493 14.358 -0.758 1.00 1.58 O ATOM 1587 OD2 ASP A 140 10.906 14.981 -2.814 1.00 1.57 O ATOM 0 H ASP A 140 10.809 9.830 -2.237 1.00 0.66 H new ATOM 0 HA ASP A 140 12.412 12.163 -1.366 1.00 0.78 H new ATOM 0 HB2 ASP A 140 11.001 12.586 -3.453 1.00 1.00 H new ATOM 0 HB3 ASP A 140 9.588 12.313 -2.453 1.00 1.00 H new ATOM 1592 N ALA A 141 11.475 11.123 0.801 1.00 0.73 N ATOM 1593 CA ALA A 141 10.918 10.851 2.119 1.00 0.79 C ATOM 1594 C ALA A 141 10.629 12.144 2.872 1.00 0.97 C ATOM 1595 O ALA A 141 10.053 12.127 3.962 1.00 1.12 O ATOM 1596 CB ALA A 141 11.871 9.981 2.921 1.00 0.86 C ATOM 0 H ALA A 141 12.485 10.997 0.738 1.00 0.73 H new ATOM 0 HA ALA A 141 9.976 10.320 1.985 1.00 0.79 H new ATOM 0 HB1 ALA A 141 11.444 9.784 3.904 1.00 0.86 H new ATOM 0 HB2 ALA A 141 12.029 9.037 2.399 1.00 0.86 H new ATOM 0 HB3 ALA A 141 12.825 10.496 3.036 1.00 0.86 H new ATOM 1602 N ALA A 142 11.034 13.260 2.284 1.00 1.02 N ATOM 1603 CA ALA A 142 10.962 14.545 2.953 1.00 1.26 C ATOM 1604 C ALA A 142 9.645 15.269 2.687 1.00 1.37 C ATOM 1605 O ALA A 142 9.037 15.812 3.607 1.00 1.60 O ATOM 1606 CB ALA A 142 12.126 15.420 2.524 1.00 1.38 C ATOM 0 H ALA A 142 11.418 13.298 1.340 1.00 1.02 H new ATOM 0 HA ALA A 142 11.016 14.353 4.025 1.00 1.26 H new ATOM 0 HB1 ALA A 142 12.064 16.383 3.031 1.00 1.38 H new ATOM 0 HB2 ALA A 142 13.064 14.932 2.786 1.00 1.38 H new ATOM 0 HB3 ALA A 142 12.087 15.575 1.446 1.00 1.38 H new ATOM 1612 N HIS A 143 9.200 15.290 1.438 1.00 1.30 N ATOM 1613 CA HIS A 143 8.039 16.098 1.085 1.00 1.50 C ATOM 1614 C HIS A 143 6.839 15.247 0.695 1.00 1.25 C ATOM 1615 O HIS A 143 5.902 15.746 0.069 1.00 1.33 O ATOM 1616 CB HIS A 143 8.386 17.057 -0.050 1.00 1.74 C ATOM 1617 CG HIS A 143 7.889 18.445 0.188 1.00 2.20 C ATOM 1618 ND1 HIS A 143 6.839 19.005 -0.504 1.00 2.83 N ATOM 1619 CD2 HIS A 143 8.312 19.389 1.057 1.00 2.47 C ATOM 1620 CE1 HIS A 143 6.637 20.235 -0.070 1.00 3.41 C ATOM 1621 NE2 HIS A 143 7.518 20.491 0.877 1.00 3.11 N ATOM 0 H HIS A 143 9.615 14.769 0.666 1.00 1.30 H new ATOM 0 HA HIS A 143 7.763 16.666 1.973 1.00 1.50 H new ATOM 0 HB2 HIS A 143 9.468 17.081 -0.180 1.00 1.74 H new ATOM 0 HB3 HIS A 143 7.962 16.679 -0.980 1.00 1.74 H new ATOM 0 HD2 HIS A 143 9.124 19.293 1.762 1.00 2.47 H new ATOM 0 HE1 HIS A 143 5.879 20.916 -0.429 1.00 3.41 H new ATOM 0 HE2 HIS A 143 7.596 21.368 1.392 1.00 3.11 H new ATOM 1630 N ALA A 144 6.874 13.973 1.085 1.00 0.99 N ATOM 1631 CA ALA A 144 5.784 13.029 0.830 1.00 0.77 C ATOM 1632 C ALA A 144 5.596 12.736 -0.645 1.00 0.76 C ATOM 1633 O ALA A 144 5.366 13.624 -1.463 1.00 1.13 O ATOM 1634 CB ALA A 144 4.486 13.522 1.433 1.00 0.88 C ATOM 0 H ALA A 144 7.661 13.564 1.588 1.00 0.99 H new ATOM 0 HA ALA A 144 6.069 12.094 1.312 1.00 0.77 H new ATOM 0 HB1 ALA A 144 3.693 12.802 1.229 1.00 0.88 H new ATOM 0 HB2 ALA A 144 4.605 13.635 2.511 1.00 0.88 H new ATOM 0 HB3 ALA A 144 4.224 14.485 0.994 1.00 0.88 H new ATOM 1640 N ASP A 145 5.700 11.470 -0.968 1.00 0.59 N ATOM 1641 CA ASP A 145 5.452 11.002 -2.311 1.00 0.87 C ATOM 1642 C ASP A 145 4.443 9.869 -2.257 1.00 0.66 C ATOM 1643 O ASP A 145 4.799 8.732 -2.508 1.00 0.75 O ATOM 1644 CB ASP A 145 6.747 10.535 -2.976 1.00 1.23 C ATOM 1645 CG ASP A 145 6.743 10.774 -4.473 1.00 1.79 C ATOM 1646 OD1 ASP A 145 5.763 10.396 -5.146 1.00 1.99 O ATOM 1647 OD2 ASP A 145 7.728 11.346 -4.988 1.00 2.20 O ATOM 0 H ASP A 145 5.958 10.736 -0.309 1.00 0.59 H new ATOM 0 HA ASP A 145 5.053 11.821 -2.909 1.00 0.87 H new ATOM 0 HB2 ASP A 145 7.592 11.059 -2.529 1.00 1.23 H new ATOM 0 HB3 ASP A 145 6.891 9.472 -2.780 1.00 1.23 H new ATOM 1652 N ASN A 146 3.215 10.198 -1.823 1.00 0.48 N ATOM 1653 CA ASN A 146 2.090 9.239 -1.684 1.00 0.32 C ATOM 1654 C ASN A 146 2.184 8.509 -0.357 1.00 0.25 C ATOM 1655 O ASN A 146 1.392 7.629 -0.054 1.00 0.37 O ATOM 1656 CB ASN A 146 1.976 8.253 -2.881 1.00 0.38 C ATOM 1657 CG ASN A 146 2.616 6.870 -2.693 1.00 0.76 C ATOM 1658 OD1 ASN A 146 2.127 6.035 -1.941 1.00 1.69 O ATOM 1659 ND2 ASN A 146 3.676 6.591 -3.431 1.00 0.65 N ATOM 0 H ASN A 146 2.965 11.149 -1.553 1.00 0.48 H new ATOM 0 HA ASN A 146 1.167 9.819 -1.698 1.00 0.32 H new ATOM 0 HB2 ASN A 146 0.919 8.112 -3.107 1.00 0.38 H new ATOM 0 HB3 ASN A 146 2.429 8.723 -3.754 1.00 0.38 H new ATOM 0 HD21 ASN A 146 4.103 5.666 -3.381 1.00 0.65 H new ATOM 0 HD22 ASN A 146 4.067 7.301 -4.050 1.00 0.65 H new ATOM 1666 N ILE A 147 3.109 8.935 0.475 1.00 0.30 N ATOM 1667 CA ILE A 147 3.237 8.354 1.791 1.00 0.34 C ATOM 1668 C ILE A 147 2.480 9.173 2.818 1.00 0.38 C ATOM 1669 O ILE A 147 2.772 10.348 3.038 1.00 0.46 O ATOM 1670 CB ILE A 147 4.699 8.224 2.227 1.00 0.42 C ATOM 1671 CG1 ILE A 147 5.478 7.412 1.193 1.00 0.46 C ATOM 1672 CG2 ILE A 147 4.777 7.576 3.601 1.00 0.49 C ATOM 1673 CD1 ILE A 147 4.903 6.040 0.923 1.00 0.50 C ATOM 0 H ILE A 147 3.778 9.676 0.265 1.00 0.30 H new ATOM 0 HA ILE A 147 2.809 7.353 1.732 1.00 0.34 H new ATOM 0 HB ILE A 147 5.147 9.216 2.293 1.00 0.42 H new ATOM 0 HG12 ILE A 147 5.510 7.971 0.258 1.00 0.46 H new ATOM 0 HG13 ILE A 147 6.507 7.302 1.534 1.00 0.46 H new ATOM 0 HG21 ILE A 147 5.821 7.488 3.903 1.00 0.49 H new ATOM 0 HG22 ILE A 147 4.241 8.191 4.324 1.00 0.49 H new ATOM 0 HG23 ILE A 147 4.325 6.585 3.562 1.00 0.49 H new ATOM 0 HD11 ILE A 147 5.514 5.530 0.178 1.00 0.50 H new ATOM 0 HD12 ILE A 147 4.896 5.460 1.846 1.00 0.50 H new ATOM 0 HD13 ILE A 147 3.884 6.140 0.550 1.00 0.50 H new ATOM 1685 N ARG A 148 1.492 8.542 3.417 1.00 0.36 N ATOM 1686 CA ARG A 148 0.714 9.145 4.481 1.00 0.38 C ATOM 1687 C ARG A 148 1.246 8.663 5.819 1.00 0.36 C ATOM 1688 O ARG A 148 1.317 7.459 6.070 1.00 0.39 O ATOM 1689 CB ARG A 148 -0.762 8.758 4.334 1.00 0.45 C ATOM 1690 CG ARG A 148 -1.580 9.658 3.410 1.00 0.62 C ATOM 1691 CD ARG A 148 -0.852 10.009 2.121 1.00 0.83 C ATOM 1692 NE ARG A 148 -1.745 10.603 1.121 1.00 0.98 N ATOM 1693 CZ ARG A 148 -1.882 11.916 0.923 1.00 1.03 C ATOM 1694 NH1 ARG A 148 -1.288 12.779 1.731 1.00 1.40 N ATOM 1695 NH2 ARG A 148 -2.647 12.366 -0.062 1.00 1.78 N ATOM 0 H ARG A 148 1.204 7.593 3.179 1.00 0.36 H new ATOM 0 HA ARG A 148 0.797 10.230 4.425 1.00 0.38 H new ATOM 0 HB2 ARG A 148 -0.818 7.735 3.962 1.00 0.45 H new ATOM 0 HB3 ARG A 148 -1.223 8.763 5.322 1.00 0.45 H new ATOM 0 HG2 ARG A 148 -2.519 9.161 3.166 1.00 0.62 H new ATOM 0 HG3 ARG A 148 -1.834 10.577 3.939 1.00 0.62 H new ATOM 0 HD2 ARG A 148 -0.043 10.705 2.341 1.00 0.83 H new ATOM 0 HD3 ARG A 148 -0.395 9.110 1.708 1.00 0.83 H new ATOM 0 HE ARG A 148 -2.297 9.972 0.539 1.00 0.98 H new ATOM 0 HH11 ARG A 148 -0.722 12.442 2.510 1.00 1.40 H new ATOM 0 HH12 ARG A 148 -1.396 13.781 1.575 1.00 1.40 H new ATOM 0 HH21 ARG A 148 -3.133 11.708 -0.671 1.00 1.78 H new ATOM 0 HH22 ARG A 148 -2.749 13.370 -0.210 1.00 1.78 H new ATOM 1709 N THR A 149 1.649 9.596 6.660 1.00 0.33 N ATOM 1710 CA THR A 149 2.081 9.263 8.003 1.00 0.31 C ATOM 1711 C THR A 149 0.904 8.758 8.808 1.00 0.28 C ATOM 1712 O THR A 149 -0.231 9.026 8.448 1.00 0.29 O ATOM 1713 CB THR A 149 2.687 10.484 8.710 1.00 0.34 C ATOM 1714 OG1 THR A 149 1.834 11.625 8.537 1.00 0.37 O ATOM 1715 CG2 THR A 149 4.066 10.780 8.154 1.00 0.40 C ATOM 0 H THR A 149 1.686 10.591 6.437 1.00 0.33 H new ATOM 0 HA THR A 149 2.845 8.489 7.929 1.00 0.31 H new ATOM 0 HB THR A 149 2.776 10.265 9.774 1.00 0.34 H new ATOM 0 HG1 THR A 149 2.227 12.399 8.992 1.00 0.37 H new ATOM 0 HG21 THR A 149 4.485 11.648 8.663 1.00 0.40 H new ATOM 0 HG22 THR A 149 4.715 9.918 8.312 1.00 0.40 H new ATOM 0 HG23 THR A 149 3.991 10.987 7.086 1.00 0.40 H new ATOM 1723 N LYS A 150 1.152 8.056 9.897 1.00 0.31 N ATOM 1724 CA LYS A 150 0.059 7.589 10.740 1.00 0.34 C ATOM 1725 C LYS A 150 -0.716 8.771 11.293 1.00 0.31 C ATOM 1726 O LYS A 150 -1.904 8.667 11.611 1.00 0.39 O ATOM 1727 CB LYS A 150 0.568 6.705 11.860 1.00 0.41 C ATOM 1728 CG LYS A 150 0.846 5.304 11.386 1.00 0.63 C ATOM 1729 CD LYS A 150 0.761 4.309 12.516 1.00 1.48 C ATOM 1730 CE LYS A 150 -0.622 4.275 13.143 1.00 2.24 C ATOM 1731 NZ LYS A 150 -0.727 3.230 14.192 1.00 3.02 N ATOM 0 H LYS A 150 2.085 7.797 10.219 1.00 0.31 H new ATOM 0 HA LYS A 150 -0.612 6.987 10.127 1.00 0.34 H new ATOM 0 HB2 LYS A 150 1.479 7.135 12.277 1.00 0.41 H new ATOM 0 HB3 LYS A 150 -0.168 6.677 12.664 1.00 0.41 H new ATOM 0 HG2 LYS A 150 0.132 5.034 10.608 1.00 0.63 H new ATOM 0 HG3 LYS A 150 1.838 5.261 10.937 1.00 0.63 H new ATOM 0 HD2 LYS A 150 1.015 3.316 12.144 1.00 1.48 H new ATOM 0 HD3 LYS A 150 1.498 4.562 13.278 1.00 1.48 H new ATOM 0 HE2 LYS A 150 -0.848 5.249 13.577 1.00 2.24 H new ATOM 0 HE3 LYS A 150 -1.367 4.089 12.369 1.00 2.24 H new ATOM 0 HZ1 LYS A 150 -1.685 3.238 14.596 1.00 3.02 H new ATOM 0 HZ2 LYS A 150 -0.536 2.297 13.773 1.00 3.02 H new ATOM 0 HZ3 LYS A 150 -0.033 3.421 14.943 1.00 3.02 H new ATOM 1745 N GLU A 151 -0.034 9.905 11.379 1.00 0.29 N ATOM 1746 CA GLU A 151 -0.664 11.142 11.780 1.00 0.34 C ATOM 1747 C GLU A 151 -1.551 11.669 10.660 1.00 0.36 C ATOM 1748 O GLU A 151 -2.672 12.120 10.903 1.00 0.48 O ATOM 1749 CB GLU A 151 0.388 12.185 12.160 1.00 0.44 C ATOM 1750 CG GLU A 151 1.271 11.765 13.319 1.00 0.56 C ATOM 1751 CD GLU A 151 2.292 12.822 13.685 1.00 1.01 C ATOM 1752 OE1 GLU A 151 1.910 13.819 14.332 1.00 1.19 O ATOM 1753 OE2 GLU A 151 3.477 12.666 13.321 1.00 1.36 O ATOM 0 H GLU A 151 0.962 9.987 11.174 1.00 0.29 H new ATOM 0 HA GLU A 151 -1.284 10.945 12.655 1.00 0.34 H new ATOM 0 HB2 GLU A 151 1.015 12.389 11.292 1.00 0.44 H new ATOM 0 HB3 GLU A 151 -0.114 13.118 12.417 1.00 0.44 H new ATOM 0 HG2 GLU A 151 0.648 11.551 14.187 1.00 0.56 H new ATOM 0 HG3 GLU A 151 1.787 10.840 13.061 1.00 0.56 H new ATOM 1760 N GLU A 152 -1.057 11.588 9.432 1.00 0.34 N ATOM 1761 CA GLU A 152 -1.815 12.046 8.278 1.00 0.40 C ATOM 1762 C GLU A 152 -2.915 11.068 7.933 1.00 0.40 C ATOM 1763 O GLU A 152 -3.971 11.467 7.472 1.00 0.50 O ATOM 1764 CB GLU A 152 -0.918 12.226 7.064 1.00 0.44 C ATOM 1765 CG GLU A 152 -1.640 12.836 5.877 1.00 0.54 C ATOM 1766 CD GLU A 152 -0.694 13.343 4.812 1.00 0.67 C ATOM 1767 OE1 GLU A 152 -0.032 12.515 4.154 1.00 0.83 O ATOM 1768 OE2 GLU A 152 -0.602 14.575 4.630 1.00 0.76 O ATOM 0 H GLU A 152 -0.136 11.210 9.210 1.00 0.34 H new ATOM 0 HA GLU A 152 -2.253 13.008 8.544 1.00 0.40 H new ATOM 0 HB2 GLU A 152 -0.074 12.861 7.334 1.00 0.44 H new ATOM 0 HB3 GLU A 152 -0.509 11.258 6.775 1.00 0.44 H new ATOM 0 HG2 GLU A 152 -2.305 12.091 5.440 1.00 0.54 H new ATOM 0 HG3 GLU A 152 -2.266 13.659 6.222 1.00 0.54 H new ATOM 1775 N ILE A 153 -2.660 9.789 8.144 1.00 0.34 N ATOM 1776 CA ILE A 153 -3.634 8.760 7.836 1.00 0.35 C ATOM 1777 C ILE A 153 -4.967 9.061 8.511 1.00 0.39 C ATOM 1778 O ILE A 153 -6.026 8.892 7.914 1.00 0.43 O ATOM 1779 CB ILE A 153 -3.152 7.348 8.251 1.00 0.35 C ATOM 1780 CG1 ILE A 153 -1.962 6.918 7.391 1.00 0.39 C ATOM 1781 CG2 ILE A 153 -4.284 6.331 8.137 1.00 0.43 C ATOM 1782 CD1 ILE A 153 -1.414 5.551 7.746 1.00 0.47 C ATOM 0 H ILE A 153 -1.783 9.438 8.529 1.00 0.34 H new ATOM 0 HA ILE A 153 -3.761 8.765 6.753 1.00 0.35 H new ATOM 0 HB ILE A 153 -2.835 7.389 9.293 1.00 0.35 H new ATOM 0 HG12 ILE A 153 -2.264 6.917 6.344 1.00 0.39 H new ATOM 0 HG13 ILE A 153 -1.166 7.656 7.493 1.00 0.39 H new ATOM 0 HG21 ILE A 153 -3.921 5.347 8.434 1.00 0.43 H new ATOM 0 HG22 ILE A 153 -5.106 6.626 8.790 1.00 0.43 H new ATOM 0 HG23 ILE A 153 -4.636 6.292 7.106 1.00 0.43 H new ATOM 0 HD11 ILE A 153 -0.573 5.316 7.094 1.00 0.47 H new ATOM 0 HD12 ILE A 153 -1.080 5.551 8.784 1.00 0.47 H new ATOM 0 HD13 ILE A 153 -2.194 4.801 7.616 1.00 0.47 H new ATOM 1794 N LYS A 154 -4.910 9.532 9.749 1.00 0.42 N ATOM 1795 CA LYS A 154 -6.125 9.909 10.461 1.00 0.50 C ATOM 1796 C LYS A 154 -6.765 11.144 9.820 1.00 0.56 C ATOM 1797 O LYS A 154 -7.988 11.283 9.801 1.00 0.64 O ATOM 1798 CB LYS A 154 -5.824 10.165 11.937 1.00 0.57 C ATOM 1799 CG LYS A 154 -5.254 8.953 12.657 1.00 1.42 C ATOM 1800 CD LYS A 154 -4.990 9.247 14.125 1.00 1.77 C ATOM 1801 CE LYS A 154 -4.420 8.035 14.845 1.00 2.57 C ATOM 1802 NZ LYS A 154 -3.105 7.617 14.290 1.00 3.43 N ATOM 0 H LYS A 154 -4.047 9.661 10.277 1.00 0.42 H new ATOM 0 HA LYS A 154 -6.833 9.083 10.393 1.00 0.50 H new ATOM 0 HB2 LYS A 154 -5.118 10.991 12.018 1.00 0.57 H new ATOM 0 HB3 LYS A 154 -6.740 10.478 12.438 1.00 0.57 H new ATOM 0 HG2 LYS A 154 -5.950 8.118 12.572 1.00 1.42 H new ATOM 0 HG3 LYS A 154 -4.326 8.645 12.174 1.00 1.42 H new ATOM 0 HD2 LYS A 154 -4.294 10.082 14.210 1.00 1.77 H new ATOM 0 HD3 LYS A 154 -5.918 9.555 14.608 1.00 1.77 H new ATOM 0 HE2 LYS A 154 -4.309 8.264 15.905 1.00 2.57 H new ATOM 0 HE3 LYS A 154 -5.124 7.206 14.770 1.00 2.57 H new ATOM 0 HZ1 LYS A 154 -3.197 6.681 13.845 1.00 3.43 H new ATOM 0 HZ2 LYS A 154 -2.792 8.309 13.579 1.00 3.43 H new ATOM 0 HZ3 LYS A 154 -2.404 7.568 15.057 1.00 3.43 H new ATOM 1816 N ARG A 155 -5.931 12.021 9.274 1.00 0.54 N ATOM 1817 CA ARG A 155 -6.406 13.205 8.559 1.00 0.63 C ATOM 1818 C ARG A 155 -7.016 12.801 7.224 1.00 0.66 C ATOM 1819 O ARG A 155 -7.926 13.448 6.711 1.00 0.80 O ATOM 1820 CB ARG A 155 -5.260 14.167 8.290 1.00 0.65 C ATOM 1821 CG ARG A 155 -4.420 14.498 9.506 1.00 1.21 C ATOM 1822 CD ARG A 155 -3.280 15.420 9.126 1.00 1.31 C ATOM 1823 NE ARG A 155 -2.248 15.479 10.156 1.00 2.28 N ATOM 1824 CZ ARG A 155 -0.957 15.692 9.897 1.00 2.71 C ATOM 1825 NH1 ARG A 155 -0.553 15.898 8.648 1.00 2.34 N ATOM 1826 NH2 ARG A 155 -0.074 15.705 10.885 1.00 3.70 N ATOM 0 H ARG A 155 -4.915 11.935 9.312 1.00 0.54 H new ATOM 0 HA ARG A 155 -7.155 13.693 9.183 1.00 0.63 H new ATOM 0 HB2 ARG A 155 -4.614 13.738 7.524 1.00 0.65 H new ATOM 0 HB3 ARG A 155 -5.667 15.092 7.882 1.00 0.65 H new ATOM 0 HG2 ARG A 155 -5.041 14.971 10.267 1.00 1.21 H new ATOM 0 HG3 ARG A 155 -4.024 13.581 9.943 1.00 1.21 H new ATOM 0 HD2 ARG A 155 -2.837 15.080 8.190 1.00 1.31 H new ATOM 0 HD3 ARG A 155 -3.670 16.422 8.948 1.00 1.31 H new ATOM 0 HE ARG A 155 -2.529 15.350 11.128 1.00 2.28 H new ATOM 0 HH11 ARG A 155 -1.231 15.893 7.886 1.00 2.34 H new ATOM 0 HH12 ARG A 155 0.435 16.061 8.452 1.00 2.34 H new ATOM 0 HH21 ARG A 155 -0.381 15.552 11.846 1.00 3.70 H new ATOM 0 HH22 ARG A 155 0.913 15.868 10.685 1.00 3.70 H new ATOM 1840 N GLN A 156 -6.479 11.736 6.658 1.00 0.58 N ATOM 1841 CA GLN A 156 -6.922 11.234 5.373 1.00 0.70 C ATOM 1842 C GLN A 156 -8.170 10.373 5.528 1.00 0.67 C ATOM 1843 O GLN A 156 -8.993 10.282 4.616 1.00 0.80 O ATOM 1844 CB GLN A 156 -5.789 10.440 4.730 1.00 0.77 C ATOM 1845 CG GLN A 156 -4.547 11.288 4.510 1.00 0.85 C ATOM 1846 CD GLN A 156 -4.734 12.338 3.434 1.00 1.05 C ATOM 1847 OE1 GLN A 156 -4.145 13.416 3.496 1.00 1.88 O ATOM 1848 NE2 GLN A 156 -5.546 12.031 2.435 1.00 0.92 N ATOM 0 H GLN A 156 -5.723 11.195 7.078 1.00 0.58 H new ATOM 0 HA GLN A 156 -7.183 12.074 4.729 1.00 0.70 H new ATOM 0 HB2 GLN A 156 -5.539 9.589 5.364 1.00 0.77 H new ATOM 0 HB3 GLN A 156 -6.126 10.038 3.775 1.00 0.77 H new ATOM 0 HG2 GLN A 156 -4.277 11.778 5.446 1.00 0.85 H new ATOM 0 HG3 GLN A 156 -3.714 10.640 4.237 1.00 0.85 H new ATOM 0 HE21 GLN A 156 -6.016 11.126 2.420 1.00 0.92 H new ATOM 0 HE22 GLN A 156 -5.701 12.699 1.680 1.00 0.92 H new ATOM 1857 N LYS A 157 -8.320 9.766 6.702 1.00 0.55 N ATOM 1858 CA LYS A 157 -9.434 8.865 6.955 1.00 0.54 C ATOM 1859 C LYS A 157 -10.681 9.620 7.419 1.00 0.62 C ATOM 1860 O LYS A 157 -11.746 9.029 7.584 1.00 0.67 O ATOM 1861 CB LYS A 157 -9.049 7.788 7.972 1.00 0.50 C ATOM 1862 CG LYS A 157 -9.094 8.244 9.412 1.00 0.81 C ATOM 1863 CD LYS A 157 -8.922 7.073 10.363 1.00 1.02 C ATOM 1864 CE LYS A 157 -7.652 6.297 10.070 1.00 0.68 C ATOM 1865 NZ LYS A 157 -7.461 5.172 11.026 1.00 0.90 N ATOM 0 H LYS A 157 -7.684 9.883 7.491 1.00 0.55 H new ATOM 0 HA LYS A 157 -9.675 8.378 6.010 1.00 0.54 H new ATOM 0 HB2 LYS A 157 -9.719 6.937 7.852 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -8.042 7.436 7.746 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -8.308 8.978 9.589 1.00 0.81 H new ATOM 0 HG3 LYS A 157 -10.044 8.740 9.610 1.00 0.81 H new ATOM 0 HD2 LYS A 157 -8.897 7.438 11.390 1.00 1.02 H new ATOM 0 HD3 LYS A 157 -9.782 6.408 10.282 1.00 1.02 H new ATOM 0 HE2 LYS A 157 -7.690 5.908 9.053 1.00 0.68 H new ATOM 0 HE3 LYS A 157 -6.795 6.968 10.122 1.00 0.68 H new ATOM 0 HZ1 LYS A 157 -6.583 4.665 10.794 1.00 0.90 H new ATOM 0 HZ2 LYS A 157 -7.400 5.546 11.994 1.00 0.90 H new ATOM 0 HZ3 LYS A 157 -8.267 4.518 10.958 1.00 0.90 H new ATOM 1879 N GLN A 158 -10.559 10.921 7.642 1.00 0.74 N ATOM 1880 CA GLN A 158 -11.715 11.724 7.975 1.00 0.91 C ATOM 1881 C GLN A 158 -12.302 12.346 6.708 1.00 1.15 C ATOM 1882 O GLN A 158 -13.290 11.794 6.185 1.00 1.78 O ATOM 1883 CB GLN A 158 -11.364 12.783 9.016 1.00 1.18 C ATOM 1884 CG GLN A 158 -10.177 13.620 8.634 1.00 1.48 C ATOM 1885 CD GLN A 158 -10.004 14.848 9.506 1.00 1.88 C ATOM 1886 OE1 GLN A 158 -9.315 14.814 10.526 1.00 2.12 O ATOM 1887 NE2 GLN A 158 -10.636 15.943 9.111 1.00 2.52 N ATOM 0 H GLN A 158 -9.678 11.434 7.598 1.00 0.74 H new ATOM 0 HA GLN A 158 -12.475 11.081 8.419 1.00 0.91 H new ATOM 0 HB2 GLN A 158 -12.225 13.434 9.167 1.00 1.18 H new ATOM 0 HB3 GLN A 158 -11.163 12.293 9.969 1.00 1.18 H new ATOM 0 HG2 GLN A 158 -9.276 13.010 8.695 1.00 1.48 H new ATOM 0 HG3 GLN A 158 -10.281 13.932 7.595 1.00 1.48 H new ATOM 0 HE21 GLN A 158 -11.197 15.929 8.259 1.00 2.52 H new ATOM 0 HE22 GLN A 158 -10.562 16.800 9.659 1.00 2.52 H new