USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 630 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 Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.02 X(o=-0.02,f=-0.02) USER MOD Single : A 31 THR OG1 : rot -140:sc= -0.175 USER MOD Single : A 36 GLN : amide:sc= 0.0227 X(o=0.023,f=0) USER MOD Single : A 40 SER OG : rot 39:sc= 0.119 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 47 TYR OH : rot 15:sc= -0.232 USER MOD Single : A 49 HIS : no HD1:sc= -2.49 K(o=-2.5,f=-3.8) USER MOD Single : A 50 SER OG : rot -56:sc= 0.499 USER MOD Single : A 51 LYS NZ :NH3+ -128:sc= 1.3 (180deg=-2.13) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= -0.198 (180deg=-0.623) USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= -0.0446 (180deg=-0.451) USER MOD Single : A 61 TYR OH : rot 96:sc= 0.137 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HE2:sc= -0.644 K(o=-0.64,f=-2.4!) USER MOD Single : A 65 ASN : amide:sc= -0.733 K(o=-0.73,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= 0.972 (180deg=0.268) USER MOD Single : A 67 ASN : amide:sc= -0.792 K(o=-0.79,f=-5.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -110:sc= -0.471 (180deg=-1.26) USER MOD Single : A 75 THR OG1 : rot -7:sc= 0.258 USER MOD Single : A 79 LYS NZ :NH3+ -167:sc= -0.0171 (180deg=-0.262) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 109 N ASP A 7 -8.018 2.591 13.824 1.00 1.00 N ATOM 110 CA ASP A 7 -8.063 1.274 13.171 1.00 1.00 C ATOM 111 C ASP A 7 -7.001 1.210 12.064 1.00 1.00 C ATOM 112 O ASP A 7 -5.837 1.533 12.290 1.00 1.00 O ATOM 113 CB ASP A 7 -9.479 1.038 12.601 1.00 1.00 C ATOM 114 CG ASP A 7 -9.826 2.090 11.546 1.00 1.00 C ATOM 115 OD1 ASP A 7 -9.212 3.145 11.554 1.00 1.00 O ATOM 116 OD2 ASP A 7 -10.710 1.825 10.749 1.00 1.00 O ATOM 0 HA ASP A 7 -7.845 0.489 13.895 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -9.537 0.043 12.160 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -10.211 1.072 13.408 1.00 1.00 H new ATOM 121 N GLY A 8 -7.410 0.785 10.873 1.00 1.00 N ATOM 122 CA GLY A 8 -6.511 0.664 9.728 1.00 1.00 C ATOM 123 C GLY A 8 -7.142 -0.257 8.701 1.00 1.00 C ATOM 124 O GLY A 8 -8.335 -0.553 8.786 1.00 1.00 O ATOM 0 H GLY A 8 -8.373 0.515 10.673 1.00 1.00 H new ATOM 0 HA2 GLY A 8 -6.325 1.645 9.290 1.00 1.00 H new ATOM 0 HA3 GLY A 8 -5.547 0.268 10.047 1.00 1.00 H new ATOM 128 N VAL A 9 -6.342 -0.707 7.726 1.00 1.00 N ATOM 129 CA VAL A 9 -6.819 -1.612 6.660 1.00 1.00 C ATOM 130 C VAL A 9 -5.930 -2.849 6.617 1.00 1.00 C ATOM 131 O VAL A 9 -4.709 -2.737 6.620 1.00 1.00 O ATOM 132 CB VAL A 9 -6.770 -0.875 5.297 1.00 1.00 C ATOM 133 CG1 VAL A 9 -5.312 -0.495 4.923 1.00 1.00 C ATOM 134 CG2 VAL A 9 -7.386 -1.753 4.187 1.00 1.00 C ATOM 0 H VAL A 9 -5.355 -0.460 7.649 1.00 1.00 H new ATOM 0 HA VAL A 9 -7.846 -1.915 6.864 1.00 1.00 H new ATOM 0 HB VAL A 9 -7.353 0.041 5.390 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -5.305 0.021 3.963 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -4.899 0.160 5.690 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -4.707 -1.399 4.854 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -7.344 -1.221 3.237 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -6.825 -2.684 4.107 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.425 -1.975 4.433 1.00 1.00 H new ATOM 144 N TYR A 10 -6.545 -4.029 6.605 1.00 1.00 N ATOM 145 CA TYR A 10 -5.800 -5.294 6.589 1.00 1.00 C ATOM 146 C TYR A 10 -5.568 -5.733 5.122 1.00 1.00 C ATOM 147 O TYR A 10 -6.354 -5.403 4.230 1.00 1.00 O ATOM 148 CB TYR A 10 -6.590 -6.393 7.387 1.00 1.00 C ATOM 149 CG TYR A 10 -7.469 -5.774 8.503 1.00 1.00 C ATOM 150 CD1 TYR A 10 -6.975 -4.741 9.310 1.00 1.00 C ATOM 151 CD2 TYR A 10 -8.769 -6.254 8.708 1.00 1.00 C ATOM 152 CE1 TYR A 10 -7.776 -4.191 10.318 1.00 1.00 C ATOM 153 CE2 TYR A 10 -9.570 -5.705 9.717 1.00 1.00 C ATOM 154 CZ TYR A 10 -9.074 -4.672 10.521 1.00 1.00 C ATOM 155 OH TYR A 10 -9.866 -4.132 11.517 1.00 1.00 O ATOM 0 H TYR A 10 -7.559 -4.140 6.606 1.00 1.00 H new ATOM 0 HA TYR A 10 -4.832 -5.158 7.071 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -7.220 -6.959 6.700 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -5.886 -7.098 7.828 1.00 1.00 H new ATOM 0 HD1 TYR A 10 -5.974 -4.368 9.154 1.00 1.00 H new ATOM 0 HD2 TYR A 10 -9.154 -7.049 8.087 1.00 1.00 H new ATOM 0 HE1 TYR A 10 -7.392 -3.395 10.939 1.00 1.00 H new ATOM 0 HE2 TYR A 10 -10.571 -6.079 9.875 1.00 1.00 H new ATOM 0 HH TYR A 10 -10.738 -4.580 11.521 1.00 1.00 H new ATOM 165 N VAL A 11 -4.473 -6.474 4.905 1.00 1.00 N ATOM 166 CA VAL A 11 -4.085 -6.985 3.568 1.00 1.00 C ATOM 167 C VAL A 11 -4.376 -8.490 3.519 1.00 1.00 C ATOM 168 O VAL A 11 -3.928 -9.233 4.393 1.00 1.00 O ATOM 169 CB VAL A 11 -2.578 -6.723 3.335 1.00 1.00 C ATOM 170 CG1 VAL A 11 -2.158 -7.202 1.928 1.00 1.00 C ATOM 171 CG2 VAL A 11 -2.305 -5.215 3.471 1.00 1.00 C ATOM 0 H VAL A 11 -3.826 -6.740 5.647 1.00 1.00 H new ATOM 0 HA VAL A 11 -4.652 -6.478 2.788 1.00 1.00 H new ATOM 0 HB VAL A 11 -2.000 -7.275 4.076 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -1.095 -7.010 1.781 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -2.350 -8.271 1.835 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -2.732 -6.663 1.174 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -1.245 -5.021 3.308 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -2.891 -4.671 2.731 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -2.585 -4.883 4.471 1.00 1.00 H new ATOM 181 N LEU A 12 -5.121 -8.941 2.492 1.00 1.00 N ATOM 182 CA LEU A 12 -5.460 -10.374 2.345 1.00 1.00 C ATOM 183 C LEU A 12 -4.291 -11.157 1.738 1.00 1.00 C ATOM 184 O LEU A 12 -3.892 -12.201 2.248 1.00 1.00 O ATOM 185 CB LEU A 12 -6.698 -10.515 1.428 1.00 1.00 C ATOM 186 CG LEU A 12 -7.211 -11.987 1.341 1.00 1.00 C ATOM 187 CD1 LEU A 12 -7.637 -12.553 2.733 1.00 1.00 C ATOM 188 CD2 LEU A 12 -8.408 -12.027 0.362 1.00 1.00 C ATOM 0 H LEU A 12 -5.498 -8.342 1.757 1.00 1.00 H new ATOM 0 HA LEU A 12 -5.673 -10.781 3.333 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -7.498 -9.876 1.802 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -6.448 -10.161 0.428 1.00 1.00 H new ATOM 0 HG LEU A 12 -6.396 -12.617 0.984 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -7.986 -13.579 2.617 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -6.783 -12.534 3.410 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -8.440 -11.941 3.144 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -8.782 -13.048 0.286 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -9.201 -11.376 0.730 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -8.085 -11.685 -0.621 1.00 1.00 H new ATOM 200 N SER A 13 -3.757 -10.631 0.633 1.00 1.00 N ATOM 201 CA SER A 13 -2.644 -11.277 -0.070 1.00 1.00 C ATOM 202 C SER A 13 -2.016 -10.340 -1.099 1.00 1.00 C ATOM 203 O SER A 13 -2.606 -9.331 -1.488 1.00 1.00 O ATOM 204 CB SER A 13 -3.152 -12.536 -0.784 1.00 1.00 C ATOM 205 OG SER A 13 -4.090 -12.156 -1.781 1.00 1.00 O ATOM 0 H SER A 13 -4.076 -9.761 0.206 1.00 1.00 H new ATOM 0 HA SER A 13 -1.885 -11.538 0.668 1.00 1.00 H new ATOM 0 HB2 SER A 13 -2.319 -13.074 -1.236 1.00 1.00 H new ATOM 0 HB3 SER A 13 -3.617 -13.213 -0.068 1.00 1.00 H new ATOM 0 HG SER A 13 -4.418 -12.955 -2.243 1.00 1.00 H new ATOM 211 N VAL A 14 -0.798 -10.705 -1.528 1.00 1.00 N ATOM 212 CA VAL A 14 -0.016 -9.939 -2.520 1.00 1.00 C ATOM 213 C VAL A 14 0.265 -10.818 -3.746 1.00 1.00 C ATOM 214 O VAL A 14 0.585 -11.993 -3.595 1.00 1.00 O ATOM 215 CB VAL A 14 1.330 -9.472 -1.914 1.00 1.00 C ATOM 216 CG1 VAL A 14 2.080 -8.562 -2.919 1.00 1.00 C ATOM 217 CG2 VAL A 14 1.068 -8.703 -0.609 1.00 1.00 C ATOM 0 H VAL A 14 -0.322 -11.544 -1.197 1.00 1.00 H new ATOM 0 HA VAL A 14 -0.596 -9.064 -2.813 1.00 1.00 H new ATOM 0 HB VAL A 14 1.947 -10.345 -1.702 1.00 1.00 H new ATOM 0 HG11 VAL A 14 3.025 -8.239 -2.482 1.00 1.00 H new ATOM 0 HG12 VAL A 14 2.275 -9.117 -3.837 1.00 1.00 H new ATOM 0 HG13 VAL A 14 1.468 -7.689 -3.146 1.00 1.00 H new ATOM 0 HG21 VAL A 14 2.016 -8.375 -0.183 1.00 1.00 H new ATOM 0 HG22 VAL A 14 0.444 -7.834 -0.818 1.00 1.00 H new ATOM 0 HG23 VAL A 14 0.558 -9.354 0.101 1.00 1.00 H new ATOM 227 N LYS A 15 0.141 -10.219 -4.948 1.00 1.00 N ATOM 228 CA LYS A 15 0.389 -10.925 -6.242 1.00 1.00 C ATOM 229 C LYS A 15 1.609 -11.881 -6.152 1.00 1.00 C ATOM 230 O LYS A 15 1.525 -12.934 -5.518 1.00 1.00 O ATOM 231 CB LYS A 15 0.582 -9.879 -7.376 1.00 1.00 C ATOM 232 CG LYS A 15 0.529 -10.544 -8.798 1.00 1.00 C ATOM 233 CD LYS A 15 -0.925 -10.641 -9.315 1.00 1.00 C ATOM 234 CE LYS A 15 -0.954 -11.353 -10.674 1.00 1.00 C ATOM 235 NZ LYS A 15 -2.354 -11.386 -11.183 1.00 1.00 N ATOM 0 H LYS A 15 -0.131 -9.242 -5.059 1.00 1.00 H new ATOM 0 HA LYS A 15 -0.480 -11.543 -6.469 1.00 1.00 H new ATOM 0 HB2 LYS A 15 -0.193 -9.116 -7.302 1.00 1.00 H new ATOM 0 HB3 LYS A 15 1.539 -9.374 -7.246 1.00 1.00 H new ATOM 0 HG2 LYS A 15 1.129 -9.962 -9.498 1.00 1.00 H new ATOM 0 HG3 LYS A 15 0.969 -11.540 -8.753 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -1.539 -11.185 -8.597 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -1.353 -9.643 -9.409 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -0.309 -10.834 -11.383 1.00 1.00 H new ATOM 0 HE3 LYS A 15 -0.567 -12.367 -10.574 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 -2.377 -11.868 -12.104 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -2.957 -11.899 -10.508 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 -2.707 -10.414 -11.292 1.00 1.00 H new ATOM 249 N GLU A 16 2.739 -11.549 -6.800 1.00 1.00 N ATOM 250 CA GLU A 16 3.923 -12.439 -6.748 1.00 1.00 C ATOM 251 C GLU A 16 5.216 -11.706 -7.094 1.00 1.00 C ATOM 252 O GLU A 16 6.228 -12.322 -7.425 1.00 1.00 O ATOM 253 CB GLU A 16 3.707 -13.677 -7.662 1.00 1.00 C ATOM 254 CG GLU A 16 4.518 -14.908 -7.165 1.00 1.00 C ATOM 255 CD GLU A 16 3.906 -15.498 -5.886 1.00 1.00 C ATOM 256 OE1 GLU A 16 2.829 -15.069 -5.505 1.00 1.00 O ATOM 257 OE2 GLU A 16 4.504 -16.402 -5.327 1.00 1.00 O ATOM 0 H GLU A 16 2.862 -10.699 -7.351 1.00 1.00 H new ATOM 0 HA GLU A 16 4.033 -12.783 -5.719 1.00 1.00 H new ATOM 0 HB2 GLU A 16 2.647 -13.927 -7.691 1.00 1.00 H new ATOM 0 HB3 GLU A 16 4.005 -13.433 -8.682 1.00 1.00 H new ATOM 0 HG2 GLU A 16 4.542 -15.670 -7.944 1.00 1.00 H new ATOM 0 HG3 GLU A 16 5.550 -14.614 -6.975 1.00 1.00 H new ATOM 264 N ASP A 17 5.190 -10.399 -6.982 1.00 1.00 N ATOM 265 CA ASP A 17 6.364 -9.586 -7.240 1.00 1.00 C ATOM 266 C ASP A 17 6.051 -8.183 -6.754 1.00 1.00 C ATOM 267 O ASP A 17 6.693 -7.713 -5.825 1.00 1.00 O ATOM 268 CB ASP A 17 6.741 -9.616 -8.737 1.00 1.00 C ATOM 269 CG ASP A 17 5.510 -9.419 -9.617 1.00 1.00 C ATOM 270 OD1 ASP A 17 4.574 -10.188 -9.469 1.00 1.00 O ATOM 271 OD2 ASP A 17 5.548 -8.545 -10.467 1.00 1.00 O ATOM 0 H ASP A 17 4.362 -9.868 -6.711 1.00 1.00 H new ATOM 0 HA ASP A 17 7.233 -9.975 -6.709 1.00 1.00 H new ATOM 0 HB2 ASP A 17 7.471 -8.834 -8.947 1.00 1.00 H new ATOM 0 HB3 ASP A 17 7.215 -10.568 -8.977 1.00 1.00 H new ATOM 276 N VAL A 18 5.113 -7.539 -7.468 1.00 1.00 N ATOM 277 CA VAL A 18 4.642 -6.126 -7.261 1.00 1.00 C ATOM 278 C VAL A 18 5.419 -5.355 -6.167 1.00 1.00 C ATOM 279 O VAL A 18 5.861 -5.951 -5.195 1.00 1.00 O ATOM 280 CB VAL A 18 3.123 -6.123 -6.950 1.00 1.00 C ATOM 281 CG1 VAL A 18 2.330 -6.612 -8.178 1.00 1.00 C ATOM 282 CG2 VAL A 18 2.846 -7.043 -5.754 1.00 1.00 C ATOM 0 H VAL A 18 4.630 -7.994 -8.243 1.00 1.00 H new ATOM 0 HA VAL A 18 4.841 -5.595 -8.192 1.00 1.00 H new ATOM 0 HB VAL A 18 2.808 -5.107 -6.709 1.00 1.00 H new ATOM 0 HG11 VAL A 18 1.264 -6.606 -7.949 1.00 1.00 H new ATOM 0 HG12 VAL A 18 2.523 -5.951 -9.023 1.00 1.00 H new ATOM 0 HG13 VAL A 18 2.641 -7.625 -8.432 1.00 1.00 H new ATOM 0 HG21 VAL A 18 1.778 -7.042 -5.534 1.00 1.00 H new ATOM 0 HG22 VAL A 18 3.166 -8.057 -5.993 1.00 1.00 H new ATOM 0 HG23 VAL A 18 3.396 -6.684 -4.884 1.00 1.00 H new ATOM 292 N PRO A 19 5.597 -4.043 -6.269 1.00 1.00 N ATOM 293 CA PRO A 19 6.367 -3.297 -5.225 1.00 1.00 C ATOM 294 C PRO A 19 5.794 -3.475 -3.804 1.00 1.00 C ATOM 295 O PRO A 19 6.250 -2.824 -2.876 1.00 1.00 O ATOM 296 CB PRO A 19 6.364 -1.827 -5.710 1.00 1.00 C ATOM 297 CG PRO A 19 5.198 -1.742 -6.644 1.00 1.00 C ATOM 298 CD PRO A 19 5.112 -3.124 -7.327 1.00 1.00 C ATOM 0 HA PRO A 19 7.382 -3.681 -5.122 1.00 1.00 H new ATOM 0 HB2 PRO A 19 6.255 -1.134 -4.876 1.00 1.00 H new ATOM 0 HB3 PRO A 19 7.296 -1.574 -6.215 1.00 1.00 H new ATOM 0 HG2 PRO A 19 4.279 -1.514 -6.104 1.00 1.00 H new ATOM 0 HG3 PRO A 19 5.341 -0.950 -7.379 1.00 1.00 H new ATOM 0 HD2 PRO A 19 4.093 -3.361 -7.633 1.00 1.00 H new ATOM 0 HD3 PRO A 19 5.733 -3.173 -8.221 1.00 1.00 H new ATOM 306 N ALA A 20 4.828 -4.394 -3.629 1.00 1.00 N ATOM 307 CA ALA A 20 4.247 -4.701 -2.316 1.00 1.00 C ATOM 308 C ALA A 20 4.766 -6.068 -1.833 1.00 1.00 C ATOM 309 O ALA A 20 4.801 -6.325 -0.632 1.00 1.00 O ATOM 310 CB ALA A 20 2.709 -4.732 -2.409 1.00 1.00 C ATOM 0 H ALA A 20 4.431 -4.941 -4.393 1.00 1.00 H new ATOM 0 HA ALA A 20 4.541 -3.927 -1.606 1.00 1.00 H new ATOM 0 HB1 ALA A 20 2.290 -4.961 -1.429 1.00 1.00 H new ATOM 0 HB2 ALA A 20 2.345 -3.760 -2.742 1.00 1.00 H new ATOM 0 HB3 ALA A 20 2.403 -5.497 -3.122 1.00 1.00 H new ATOM 316 N ALA A 21 5.190 -6.953 -2.766 1.00 1.00 N ATOM 317 CA ALA A 21 5.714 -8.279 -2.377 1.00 1.00 C ATOM 318 C ALA A 21 7.134 -8.143 -1.806 1.00 1.00 C ATOM 319 O ALA A 21 7.985 -7.453 -2.367 1.00 1.00 O ATOM 320 CB ALA A 21 5.688 -9.260 -3.604 1.00 1.00 C ATOM 0 H ALA A 21 5.180 -6.777 -3.771 1.00 1.00 H new ATOM 0 HA ALA A 21 5.075 -8.697 -1.599 1.00 1.00 H new ATOM 0 HB1 ALA A 21 6.077 -10.232 -3.301 1.00 1.00 H new ATOM 0 HB2 ALA A 21 4.663 -9.373 -3.957 1.00 1.00 H new ATOM 0 HB3 ALA A 21 6.306 -8.856 -4.406 1.00 1.00 H new ATOM 326 N GLY A 22 7.368 -8.826 -0.684 1.00 1.00 N ATOM 327 CA GLY A 22 8.672 -8.822 -0.004 1.00 1.00 C ATOM 328 C GLY A 22 8.754 -7.711 1.032 1.00 1.00 C ATOM 329 O GLY A 22 9.556 -7.782 1.962 1.00 1.00 O ATOM 0 H GLY A 22 6.663 -9.398 -0.219 1.00 1.00 H new ATOM 0 HA2 GLY A 22 8.835 -9.785 0.479 1.00 1.00 H new ATOM 0 HA3 GLY A 22 9.467 -8.696 -0.739 1.00 1.00 H new ATOM 333 N ILE A 23 7.913 -6.683 0.868 1.00 1.00 N ATOM 334 CA ILE A 23 7.873 -5.532 1.793 1.00 1.00 C ATOM 335 C ILE A 23 6.633 -5.621 2.683 1.00 1.00 C ATOM 336 O ILE A 23 6.733 -5.532 3.909 1.00 1.00 O ATOM 337 CB ILE A 23 7.848 -4.224 0.960 1.00 1.00 C ATOM 338 CG1 ILE A 23 9.123 -4.163 0.072 1.00 1.00 C ATOM 339 CG2 ILE A 23 7.797 -2.986 1.887 1.00 1.00 C ATOM 340 CD1 ILE A 23 9.060 -2.973 -0.897 1.00 1.00 C ATOM 0 H ILE A 23 7.245 -6.620 0.100 1.00 1.00 H new ATOM 0 HA ILE A 23 8.755 -5.539 2.434 1.00 1.00 H new ATOM 0 HB ILE A 23 6.957 -4.219 0.333 1.00 1.00 H new ATOM 0 HG12 ILE A 23 10.007 -4.076 0.704 1.00 1.00 H new ATOM 0 HG13 ILE A 23 9.223 -5.091 -0.491 1.00 1.00 H new ATOM 0 HG21 ILE A 23 7.780 -2.079 1.282 1.00 1.00 H new ATOM 0 HG22 ILE A 23 6.898 -3.029 2.502 1.00 1.00 H new ATOM 0 HG23 ILE A 23 8.677 -2.977 2.530 1.00 1.00 H new ATOM 0 HD11 ILE A 23 9.963 -2.952 -1.507 1.00 1.00 H new ATOM 0 HD12 ILE A 23 8.188 -3.076 -1.543 1.00 1.00 H new ATOM 0 HD13 ILE A 23 8.984 -2.045 -0.330 1.00 1.00 H new ATOM 352 N LEU A 24 5.462 -5.803 2.055 1.00 1.00 N ATOM 353 CA LEU A 24 4.179 -5.907 2.779 1.00 1.00 C ATOM 354 C LEU A 24 3.792 -7.383 2.913 1.00 1.00 C ATOM 355 O LEU A 24 3.874 -8.142 1.948 1.00 1.00 O ATOM 356 CB LEU A 24 3.069 -5.144 1.991 1.00 1.00 C ATOM 357 CG LEU A 24 3.155 -3.584 2.188 1.00 1.00 C ATOM 358 CD1 LEU A 24 2.450 -2.865 1.013 1.00 1.00 C ATOM 359 CD2 LEU A 24 2.462 -3.166 3.516 1.00 1.00 C ATOM 0 H LEU A 24 5.373 -5.882 1.042 1.00 1.00 H new ATOM 0 HA LEU A 24 4.283 -5.466 3.770 1.00 1.00 H new ATOM 0 HB2 LEU A 24 3.155 -5.378 0.930 1.00 1.00 H new ATOM 0 HB3 LEU A 24 2.090 -5.495 2.317 1.00 1.00 H new ATOM 0 HG LEU A 24 4.207 -3.301 2.222 1.00 1.00 H new ATOM 0 HD11 LEU A 24 2.513 -1.786 1.156 1.00 1.00 H new ATOM 0 HD12 LEU A 24 2.936 -3.136 0.076 1.00 1.00 H new ATOM 0 HD13 LEU A 24 1.403 -3.165 0.978 1.00 1.00 H new ATOM 0 HD21 LEU A 24 2.530 -2.085 3.637 1.00 1.00 H new ATOM 0 HD22 LEU A 24 1.414 -3.463 3.488 1.00 1.00 H new ATOM 0 HD23 LEU A 24 2.956 -3.657 4.354 1.00 1.00 H new ATOM 371 N HIS A 25 3.367 -7.770 4.125 1.00 1.00 N ATOM 372 CA HIS A 25 2.950 -9.149 4.425 1.00 1.00 C ATOM 373 C HIS A 25 1.484 -9.161 4.852 1.00 1.00 C ATOM 374 O HIS A 25 1.011 -8.234 5.508 1.00 1.00 O ATOM 375 CB HIS A 25 3.825 -9.720 5.563 1.00 1.00 C ATOM 376 CG HIS A 25 3.506 -11.180 5.780 1.00 1.00 C ATOM 377 ND1 HIS A 25 3.816 -12.145 4.837 1.00 1.00 N ATOM 378 CD2 HIS A 25 2.884 -11.848 6.809 1.00 1.00 C ATOM 379 CE1 HIS A 25 3.388 -13.325 5.312 1.00 1.00 C ATOM 380 NE2 HIS A 25 2.811 -13.208 6.510 1.00 1.00 N ATOM 0 H HIS A 25 3.303 -7.138 4.923 1.00 1.00 H new ATOM 0 HA HIS A 25 3.071 -9.764 3.533 1.00 1.00 H new ATOM 0 HB2 HIS A 25 4.880 -9.603 5.315 1.00 1.00 H new ATOM 0 HB3 HIS A 25 3.650 -9.161 6.482 1.00 1.00 H new ATOM 0 HD2 HIS A 25 2.509 -11.389 7.712 1.00 1.00 H new ATOM 0 HE1 HIS A 25 3.498 -14.262 4.785 1.00 1.00 H new ATOM 0 HE2 HIS A 25 2.406 -13.950 7.081 1.00 1.00 H new ATOM 389 N ALA A 26 0.764 -10.215 4.473 1.00 1.00 N ATOM 390 CA ALA A 26 -0.655 -10.335 4.821 1.00 1.00 C ATOM 391 C ALA A 26 -0.861 -10.151 6.332 1.00 1.00 C ATOM 392 O ALA A 26 -0.148 -10.746 7.138 1.00 1.00 O ATOM 393 CB ALA A 26 -1.178 -11.714 4.394 1.00 1.00 C ATOM 0 H ALA A 26 1.134 -10.994 3.929 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.207 -9.555 4.297 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -2.233 -11.800 4.654 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.059 -11.831 3.317 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -0.613 -12.492 4.907 1.00 1.00 H new ATOM 399 N GLY A 27 -1.843 -9.316 6.705 1.00 1.00 N ATOM 400 CA GLY A 27 -2.154 -9.041 8.119 1.00 1.00 C ATOM 401 C GLY A 27 -1.577 -7.697 8.572 1.00 1.00 C ATOM 402 O GLY A 27 -1.826 -7.262 9.698 1.00 1.00 O ATOM 0 H GLY A 27 -2.439 -8.817 6.045 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -3.235 -9.040 8.261 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -1.751 -9.839 8.743 1.00 1.00 H new ATOM 406 N ASP A 28 -0.822 -7.022 7.697 1.00 1.00 N ATOM 407 CA ASP A 28 -0.247 -5.714 8.035 1.00 1.00 C ATOM 408 C ASP A 28 -1.351 -4.656 8.047 1.00 1.00 C ATOM 409 O ASP A 28 -2.357 -4.796 7.350 1.00 1.00 O ATOM 410 CB ASP A 28 0.834 -5.337 7.000 1.00 1.00 C ATOM 411 CG ASP A 28 2.048 -6.267 7.113 1.00 1.00 C ATOM 412 OD1 ASP A 28 2.086 -7.054 8.044 1.00 1.00 O ATOM 413 OD2 ASP A 28 2.920 -6.166 6.267 1.00 1.00 O ATOM 0 H ASP A 28 -0.597 -7.355 6.760 1.00 1.00 H new ATOM 0 HA ASP A 28 0.210 -5.764 9.023 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.417 -5.397 5.995 1.00 1.00 H new ATOM 0 HB3 ASP A 28 1.146 -4.304 7.154 1.00 1.00 H new ATOM 418 N LEU A 29 -1.153 -3.597 8.852 1.00 1.00 N ATOM 419 CA LEU A 29 -2.127 -2.498 8.978 1.00 1.00 C ATOM 420 C LEU A 29 -1.461 -1.158 8.663 1.00 1.00 C ATOM 421 O LEU A 29 -0.490 -0.784 9.317 1.00 1.00 O ATOM 422 CB LEU A 29 -2.680 -2.445 10.429 1.00 1.00 C ATOM 423 CG LEU A 29 -3.301 -3.827 10.862 1.00 1.00 C ATOM 424 CD1 LEU A 29 -2.250 -4.747 11.534 1.00 1.00 C ATOM 425 CD2 LEU A 29 -4.460 -3.603 11.859 1.00 1.00 C ATOM 0 H LEU A 29 -0.320 -3.479 9.429 1.00 1.00 H new ATOM 0 HA LEU A 29 -2.939 -2.679 8.274 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -1.878 -2.175 11.115 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -3.438 -1.665 10.502 1.00 1.00 H new ATOM 0 HG LEU A 29 -3.664 -4.310 9.955 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -2.719 -5.689 11.817 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -1.437 -4.942 10.835 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -1.854 -4.257 12.423 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -4.880 -4.566 12.150 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -4.085 -3.088 12.743 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -5.234 -2.997 11.387 1.00 1.00 H new ATOM 437 N ILE A 30 -1.989 -0.428 7.675 1.00 1.00 N ATOM 438 CA ILE A 30 -1.432 0.874 7.311 1.00 1.00 C ATOM 439 C ILE A 30 -1.830 1.910 8.373 1.00 1.00 C ATOM 440 O ILE A 30 -3.016 2.123 8.627 1.00 1.00 O ATOM 441 CB ILE A 30 -1.969 1.321 5.933 1.00 1.00 C ATOM 442 CG1 ILE A 30 -1.814 0.181 4.887 1.00 1.00 C ATOM 443 CG2 ILE A 30 -1.233 2.580 5.457 1.00 1.00 C ATOM 444 CD1 ILE A 30 -0.350 -0.274 4.697 1.00 1.00 C ATOM 0 H ILE A 30 -2.794 -0.715 7.119 1.00 1.00 H new ATOM 0 HA ILE A 30 -0.346 0.793 7.258 1.00 1.00 H new ATOM 0 HB ILE A 30 -3.029 1.552 6.037 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -2.416 -0.673 5.198 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -2.210 0.519 3.929 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -1.622 2.883 4.485 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -1.386 3.385 6.176 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -0.167 2.368 5.371 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -0.310 -1.071 3.955 1.00 1.00 H new ATOM 0 HD12 ILE A 30 0.252 0.569 4.357 1.00 1.00 H new ATOM 0 HD13 ILE A 30 0.043 -0.641 5.645 1.00 1.00 H new ATOM 456 N THR A 31 -0.832 2.550 8.979 1.00 1.00 N ATOM 457 CA THR A 31 -1.059 3.577 10.006 1.00 1.00 C ATOM 458 C THR A 31 -1.178 4.971 9.374 1.00 1.00 C ATOM 459 O THR A 31 -2.044 5.754 9.760 1.00 1.00 O ATOM 460 CB THR A 31 0.113 3.571 11.007 1.00 1.00 C ATOM 461 OG1 THR A 31 1.331 3.746 10.298 1.00 1.00 O ATOM 462 CG2 THR A 31 0.151 2.239 11.768 1.00 1.00 C ATOM 0 H THR A 31 0.153 2.376 8.777 1.00 1.00 H new ATOM 0 HA THR A 31 -1.993 3.348 10.520 1.00 1.00 H new ATOM 0 HB THR A 31 -0.021 4.383 11.722 1.00 1.00 H new ATOM 0 HG1 THR A 31 2.020 3.166 10.684 1.00 1.00 H new ATOM 0 HG21 THR A 31 0.983 2.246 12.472 1.00 1.00 H new ATOM 0 HG22 THR A 31 -0.784 2.104 12.312 1.00 1.00 H new ATOM 0 HG23 THR A 31 0.281 1.420 11.061 1.00 1.00 H new ATOM 470 N GLU A 32 -0.291 5.290 8.413 1.00 1.00 N ATOM 471 CA GLU A 32 -0.303 6.621 7.762 1.00 1.00 C ATOM 472 C GLU A 32 0.313 6.563 6.354 1.00 1.00 C ATOM 473 O GLU A 32 1.180 5.745 6.079 1.00 1.00 O ATOM 474 CB GLU A 32 0.487 7.620 8.644 1.00 1.00 C ATOM 475 CG GLU A 32 0.262 9.068 8.166 1.00 1.00 C ATOM 476 CD GLU A 32 0.976 10.060 9.088 1.00 1.00 C ATOM 477 OE1 GLU A 32 1.359 9.671 10.179 1.00 1.00 O ATOM 478 OE2 GLU A 32 1.110 11.205 8.689 1.00 1.00 O ATOM 0 H GLU A 32 0.434 4.658 8.072 1.00 1.00 H new ATOM 0 HA GLU A 32 -1.337 6.949 7.657 1.00 1.00 H new ATOM 0 HB2 GLU A 32 0.173 7.522 9.683 1.00 1.00 H new ATOM 0 HB3 GLU A 32 1.550 7.382 8.609 1.00 1.00 H new ATOM 0 HG2 GLU A 32 0.631 9.181 7.147 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -0.805 9.287 8.145 1.00 1.00 H new ATOM 485 N ILE A 33 -0.133 7.460 5.463 1.00 1.00 N ATOM 486 CA ILE A 33 0.396 7.526 4.075 1.00 1.00 C ATOM 487 C ILE A 33 0.427 8.981 3.587 1.00 1.00 C ATOM 488 O ILE A 33 -0.550 9.718 3.728 1.00 1.00 O ATOM 489 CB ILE A 33 -0.456 6.585 3.120 1.00 1.00 C ATOM 490 CG1 ILE A 33 0.234 5.188 2.997 1.00 1.00 C ATOM 491 CG2 ILE A 33 -0.665 7.180 1.688 1.00 1.00 C ATOM 492 CD1 ILE A 33 -0.647 4.164 2.274 1.00 1.00 C ATOM 0 H ILE A 33 -0.855 8.151 5.668 1.00 1.00 H new ATOM 0 HA ILE A 33 1.422 7.160 4.058 1.00 1.00 H new ATOM 0 HB ILE A 33 -1.441 6.493 3.578 1.00 1.00 H new ATOM 0 HG12 ILE A 33 1.176 5.297 2.459 1.00 1.00 H new ATOM 0 HG13 ILE A 33 0.476 4.816 3.993 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -1.255 6.487 1.088 1.00 1.00 H new ATOM 0 HG22 ILE A 33 -1.190 8.132 1.763 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.304 7.336 1.214 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -0.122 3.210 2.214 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -1.578 4.032 2.825 1.00 1.00 H new ATOM 0 HD13 ILE A 33 -0.868 4.520 1.268 1.00 1.00 H new ATOM 504 N ASP A 34 1.552 9.367 2.982 1.00 1.00 N ATOM 505 CA ASP A 34 1.712 10.714 2.433 1.00 1.00 C ATOM 506 C ASP A 34 1.429 11.782 3.492 1.00 1.00 C ATOM 507 O ASP A 34 0.896 12.848 3.189 1.00 1.00 O ATOM 508 CB ASP A 34 0.769 10.892 1.227 1.00 1.00 C ATOM 509 CG ASP A 34 1.028 12.227 0.530 1.00 1.00 C ATOM 510 OD1 ASP A 34 2.117 12.406 0.010 1.00 1.00 O ATOM 511 OD2 ASP A 34 0.133 13.057 0.528 1.00 1.00 O ATOM 0 H ASP A 34 2.366 8.765 2.860 1.00 1.00 H new ATOM 0 HA ASP A 34 2.745 10.836 2.108 1.00 1.00 H new ATOM 0 HB2 ASP A 34 0.914 10.074 0.522 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -0.268 10.845 1.560 1.00 1.00 H new ATOM 516 N GLY A 35 1.796 11.483 4.737 1.00 1.00 N ATOM 517 CA GLY A 35 1.589 12.420 5.842 1.00 1.00 C ATOM 518 C GLY A 35 0.119 12.467 6.267 1.00 1.00 C ATOM 519 O GLY A 35 -0.215 13.072 7.287 1.00 1.00 O ATOM 0 H GLY A 35 2.236 10.603 5.006 1.00 1.00 H new ATOM 0 HA2 GLY A 35 2.206 12.125 6.691 1.00 1.00 H new ATOM 0 HA3 GLY A 35 1.915 13.416 5.542 1.00 1.00 H new ATOM 523 N GLN A 36 -0.759 11.827 5.480 1.00 1.00 N ATOM 524 CA GLN A 36 -2.207 11.794 5.775 1.00 1.00 C ATOM 525 C GLN A 36 -2.583 10.466 6.438 1.00 1.00 C ATOM 526 O GLN A 36 -2.232 9.397 5.938 1.00 1.00 O ATOM 527 CB GLN A 36 -3.001 11.947 4.464 1.00 1.00 C ATOM 528 CG GLN A 36 -2.699 13.310 3.827 1.00 1.00 C ATOM 529 CD GLN A 36 -3.504 13.484 2.541 1.00 1.00 C ATOM 530 OE1 GLN A 36 -4.651 13.932 2.577 1.00 1.00 O ATOM 531 NE2 GLN A 36 -2.973 13.170 1.391 1.00 1.00 N ATOM 0 H GLN A 36 -0.495 11.324 4.633 1.00 1.00 H new ATOM 0 HA GLN A 36 -2.447 12.613 6.453 1.00 1.00 H new ATOM 0 HB2 GLN A 36 -2.737 11.146 3.773 1.00 1.00 H new ATOM 0 HB3 GLN A 36 -4.069 11.857 4.663 1.00 1.00 H new ATOM 0 HG2 GLN A 36 -2.943 14.109 4.528 1.00 1.00 H new ATOM 0 HG3 GLN A 36 -1.634 13.390 3.611 1.00 1.00 H new ATOM 0 HE21 GLN A 36 -2.024 12.798 1.352 1.00 1.00 H new ATOM 0 HE22 GLN A 36 -3.507 13.296 0.531 1.00 1.00 H new ATOM 593 N SER A 40 -10.598 5.405 7.490 1.00 1.00 N ATOM 594 CA SER A 40 -11.396 4.356 6.815 1.00 1.00 C ATOM 595 C SER A 40 -10.616 3.775 5.639 1.00 1.00 C ATOM 596 O SER A 40 -9.807 4.467 5.019 1.00 1.00 O ATOM 597 CB SER A 40 -12.709 4.964 6.300 1.00 1.00 C ATOM 598 OG SER A 40 -13.432 5.501 7.399 1.00 1.00 O ATOM 0 HA SER A 40 -11.610 3.561 7.529 1.00 1.00 H new ATOM 0 HB2 SER A 40 -12.501 5.745 5.568 1.00 1.00 H new ATOM 0 HB3 SER A 40 -13.303 4.203 5.794 1.00 1.00 H new ATOM 0 HG SER A 40 -12.809 5.930 8.022 1.00 1.00 H new ATOM 604 N SER A 41 -10.872 2.500 5.327 1.00 1.00 N ATOM 605 CA SER A 41 -10.191 1.846 4.219 1.00 1.00 C ATOM 606 C SER A 41 -10.559 2.510 2.897 1.00 1.00 C ATOM 607 O SER A 41 -9.687 2.878 2.129 1.00 1.00 O ATOM 608 CB SER A 41 -10.575 0.363 4.172 1.00 1.00 C ATOM 609 OG SER A 41 -9.895 -0.266 3.093 1.00 1.00 O ATOM 0 H SER A 41 -11.540 1.911 5.824 1.00 1.00 H new ATOM 0 HA SER A 41 -9.116 1.939 4.372 1.00 1.00 H new ATOM 0 HB2 SER A 41 -10.314 -0.122 5.113 1.00 1.00 H new ATOM 0 HB3 SER A 41 -11.653 0.259 4.048 1.00 1.00 H new ATOM 0 HG SER A 41 -10.138 -1.215 3.062 1.00 1.00 H new ATOM 615 N GLN A 42 -11.857 2.666 2.629 1.00 1.00 N ATOM 616 CA GLN A 42 -12.304 3.278 1.371 1.00 1.00 C ATOM 617 C GLN A 42 -11.651 4.642 1.157 1.00 1.00 C ATOM 618 O GLN A 42 -11.351 5.017 0.026 1.00 1.00 O ATOM 619 CB GLN A 42 -13.835 3.426 1.386 1.00 1.00 C ATOM 620 CG GLN A 42 -14.495 2.037 1.402 1.00 1.00 C ATOM 621 CD GLN A 42 -16.018 2.176 1.473 1.00 1.00 C ATOM 622 OE1 GLN A 42 -16.546 3.287 1.426 1.00 1.00 O ATOM 623 NE2 GLN A 42 -16.767 1.114 1.593 1.00 1.00 N ATOM 0 H GLN A 42 -12.610 2.382 3.255 1.00 1.00 H new ATOM 0 HA GLN A 42 -12.005 2.629 0.548 1.00 1.00 H new ATOM 0 HB2 GLN A 42 -14.145 3.996 2.262 1.00 1.00 H new ATOM 0 HB3 GLN A 42 -14.164 3.984 0.509 1.00 1.00 H new ATOM 0 HG2 GLN A 42 -14.215 1.483 0.506 1.00 1.00 H new ATOM 0 HG3 GLN A 42 -14.135 1.465 2.257 1.00 1.00 H new ATOM 0 HE21 GLN A 42 -16.338 0.189 1.633 1.00 1.00 H new ATOM 0 HE22 GLN A 42 -17.781 1.209 1.647 1.00 1.00 H new ATOM 632 N GLU A 43 -11.420 5.375 2.243 1.00 1.00 N ATOM 633 CA GLU A 43 -10.782 6.685 2.139 1.00 1.00 C ATOM 634 C GLU A 43 -9.352 6.512 1.612 1.00 1.00 C ATOM 635 O GLU A 43 -8.878 7.328 0.826 1.00 1.00 O ATOM 636 CB GLU A 43 -10.791 7.375 3.516 1.00 1.00 C ATOM 637 CG GLU A 43 -10.262 8.829 3.425 1.00 1.00 C ATOM 638 CD GLU A 43 -11.225 9.721 2.642 1.00 1.00 C ATOM 639 OE1 GLU A 43 -12.401 9.396 2.580 1.00 1.00 O ATOM 640 OE2 GLU A 43 -10.774 10.719 2.106 1.00 1.00 O ATOM 0 H GLU A 43 -11.661 5.090 3.192 1.00 1.00 H new ATOM 0 HA GLU A 43 -11.332 7.316 1.441 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -11.805 7.380 3.915 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -10.176 6.806 4.214 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -10.124 9.232 4.428 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -9.285 8.833 2.942 1.00 1.00 H new ATOM 647 N PHE A 44 -8.667 5.436 2.026 1.00 1.00 N ATOM 648 CA PHE A 44 -7.303 5.187 1.539 1.00 1.00 C ATOM 649 C PHE A 44 -7.343 4.877 0.056 1.00 1.00 C ATOM 650 O PHE A 44 -6.579 5.419 -0.729 1.00 1.00 O ATOM 651 CB PHE A 44 -6.654 3.989 2.289 1.00 1.00 C ATOM 652 CG PHE A 44 -5.301 3.527 1.669 1.00 1.00 C ATOM 653 CD1 PHE A 44 -4.428 4.460 1.096 1.00 1.00 C ATOM 654 CD2 PHE A 44 -4.959 2.170 1.678 1.00 1.00 C ATOM 655 CE1 PHE A 44 -3.216 4.039 0.537 1.00 1.00 C ATOM 656 CE2 PHE A 44 -3.747 1.745 1.120 1.00 1.00 C ATOM 657 CZ PHE A 44 -2.876 2.680 0.549 1.00 1.00 C ATOM 0 H PHE A 44 -9.024 4.740 2.681 1.00 1.00 H new ATOM 0 HA PHE A 44 -6.707 6.081 1.722 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -6.491 4.268 3.330 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -7.350 3.150 2.289 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -4.691 5.507 1.085 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -5.632 1.448 2.117 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -2.544 4.761 0.097 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -3.485 0.697 1.130 1.00 1.00 H new ATOM 0 HZ PHE A 44 -1.941 2.354 0.117 1.00 1.00 H new ATOM 667 N ILE A 45 -8.243 3.976 -0.316 1.00 1.00 N ATOM 668 CA ILE A 45 -8.364 3.560 -1.718 1.00 1.00 C ATOM 669 C ILE A 45 -8.544 4.782 -2.621 1.00 1.00 C ATOM 670 O ILE A 45 -8.163 4.762 -3.790 1.00 1.00 O ATOM 671 CB ILE A 45 -9.538 2.559 -1.924 1.00 1.00 C ATOM 672 CG1 ILE A 45 -9.473 1.382 -0.902 1.00 1.00 C ATOM 673 CG2 ILE A 45 -9.495 1.999 -3.360 1.00 1.00 C ATOM 674 CD1 ILE A 45 -8.098 0.689 -0.874 1.00 1.00 C ATOM 0 H ILE A 45 -8.896 3.520 0.321 1.00 1.00 H new ATOM 0 HA ILE A 45 -7.442 3.047 -1.990 1.00 1.00 H new ATOM 0 HB ILE A 45 -10.472 3.097 -1.761 1.00 1.00 H new ATOM 0 HG12 ILE A 45 -9.705 1.759 0.094 1.00 1.00 H new ATOM 0 HG13 ILE A 45 -10.239 0.648 -1.151 1.00 1.00 H new ATOM 0 HG21 ILE A 45 -10.318 1.298 -3.502 1.00 1.00 H new ATOM 0 HG22 ILE A 45 -9.589 2.818 -4.073 1.00 1.00 H new ATOM 0 HG23 ILE A 45 -8.548 1.484 -3.522 1.00 1.00 H new ATOM 0 HD11 ILE A 45 -8.114 -0.121 -0.145 1.00 1.00 H new ATOM 0 HD12 ILE A 45 -7.874 0.284 -1.861 1.00 1.00 H new ATOM 0 HD13 ILE A 45 -7.332 1.413 -0.596 1.00 1.00 H new ATOM 686 N ASP A 46 -9.121 5.845 -2.068 1.00 1.00 N ATOM 687 CA ASP A 46 -9.338 7.074 -2.846 1.00 1.00 C ATOM 688 C ASP A 46 -8.003 7.768 -3.116 1.00 1.00 C ATOM 689 O ASP A 46 -7.801 8.347 -4.182 1.00 1.00 O ATOM 690 CB ASP A 46 -10.290 8.028 -2.106 1.00 1.00 C ATOM 691 CG ASP A 46 -11.650 7.359 -1.916 1.00 1.00 C ATOM 692 OD1 ASP A 46 -12.055 6.636 -2.813 1.00 1.00 O ATOM 693 OD2 ASP A 46 -12.258 7.575 -0.882 1.00 1.00 O ATOM 0 H ASP A 46 -9.444 5.888 -1.101 1.00 1.00 H new ATOM 0 HA ASP A 46 -9.796 6.802 -3.797 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -9.869 8.298 -1.137 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -10.405 8.952 -2.672 1.00 1.00 H new ATOM 698 N TYR A 47 -7.083 7.692 -2.151 1.00 1.00 N ATOM 699 CA TYR A 47 -5.758 8.300 -2.309 1.00 1.00 C ATOM 700 C TYR A 47 -4.954 7.585 -3.390 1.00 1.00 C ATOM 701 O TYR A 47 -4.281 8.222 -4.201 1.00 1.00 O ATOM 702 CB TYR A 47 -4.973 8.241 -0.970 1.00 1.00 C ATOM 703 CG TYR A 47 -3.481 8.526 -1.215 1.00 1.00 C ATOM 704 CD1 TYR A 47 -2.992 9.837 -1.197 1.00 1.00 C ATOM 705 CD2 TYR A 47 -2.619 7.464 -1.517 1.00 1.00 C ATOM 706 CE1 TYR A 47 -1.645 10.089 -1.482 1.00 1.00 C ATOM 707 CE2 TYR A 47 -1.272 7.712 -1.802 1.00 1.00 C ATOM 708 CZ TYR A 47 -0.787 9.025 -1.784 1.00 1.00 C ATOM 709 OH TYR A 47 0.547 9.263 -2.051 1.00 1.00 O ATOM 0 H TYR A 47 -7.228 7.220 -1.259 1.00 1.00 H new ATOM 0 HA TYR A 47 -5.903 9.339 -2.603 1.00 1.00 H new ATOM 0 HB2 TYR A 47 -5.380 8.970 -0.269 1.00 1.00 H new ATOM 0 HB3 TYR A 47 -5.093 7.259 -0.513 1.00 1.00 H new ATOM 0 HD1 TYR A 47 -3.655 10.656 -0.963 1.00 1.00 H new ATOM 0 HD2 TYR A 47 -2.995 6.452 -1.530 1.00 1.00 H new ATOM 0 HE1 TYR A 47 -1.269 11.101 -1.469 1.00 1.00 H new ATOM 0 HE2 TYR A 47 -0.608 6.893 -2.035 1.00 1.00 H new ATOM 0 HH TYR A 47 0.782 10.169 -1.761 1.00 1.00 H new ATOM 719 N ILE A 48 -4.963 6.258 -3.339 1.00 1.00 N ATOM 720 CA ILE A 48 -4.153 5.467 -4.271 1.00 1.00 C ATOM 721 C ILE A 48 -4.463 5.878 -5.709 1.00 1.00 C ATOM 722 O ILE A 48 -3.567 5.953 -6.551 1.00 1.00 O ATOM 723 CB ILE A 48 -4.374 3.937 -4.099 1.00 1.00 C ATOM 724 CG1 ILE A 48 -4.293 3.549 -2.602 1.00 1.00 C ATOM 725 CG2 ILE A 48 -3.277 3.173 -4.884 1.00 1.00 C ATOM 726 CD1 ILE A 48 -4.607 2.057 -2.404 1.00 1.00 C ATOM 0 H ILE A 48 -5.511 5.710 -2.676 1.00 1.00 H new ATOM 0 HA ILE A 48 -3.107 5.671 -4.043 1.00 1.00 H new ATOM 0 HB ILE A 48 -5.360 3.674 -4.481 1.00 1.00 H new ATOM 0 HG12 ILE A 48 -3.297 3.769 -2.219 1.00 1.00 H new ATOM 0 HG13 ILE A 48 -4.996 4.152 -2.027 1.00 1.00 H new ATOM 0 HG21 ILE A 48 -3.427 2.100 -4.767 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -3.336 3.435 -5.940 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -2.295 3.447 -4.497 1.00 1.00 H new ATOM 0 HD11 ILE A 48 -4.544 1.809 -1.344 1.00 1.00 H new ATOM 0 HD12 ILE A 48 -5.613 1.846 -2.766 1.00 1.00 H new ATOM 0 HD13 ILE A 48 -3.887 1.457 -2.961 1.00 1.00 H new ATOM 738 N HIS A 49 -5.740 6.149 -5.978 1.00 1.00 N ATOM 739 CA HIS A 49 -6.164 6.557 -7.315 1.00 1.00 C ATOM 740 C HIS A 49 -5.894 8.051 -7.545 1.00 1.00 C ATOM 741 O HIS A 49 -5.837 8.502 -8.688 1.00 1.00 O ATOM 742 CB HIS A 49 -7.665 6.290 -7.464 1.00 1.00 C ATOM 743 CG HIS A 49 -7.968 4.847 -7.160 1.00 1.00 C ATOM 744 ND1 HIS A 49 -7.252 3.802 -7.721 1.00 1.00 N ATOM 745 CD2 HIS A 49 -8.958 4.261 -6.407 1.00 1.00 C ATOM 746 CE1 HIS A 49 -7.814 2.659 -7.302 1.00 1.00 C ATOM 747 NE2 HIS A 49 -8.859 2.874 -6.498 1.00 1.00 N ATOM 0 H HIS A 49 -6.493 6.094 -5.293 1.00 1.00 H new ATOM 0 HA HIS A 49 -5.598 5.985 -8.051 1.00 1.00 H new ATOM 0 HB2 HIS A 49 -8.226 6.937 -6.789 1.00 1.00 H new ATOM 0 HB3 HIS A 49 -7.986 6.531 -8.477 1.00 1.00 H new ATOM 0 HD2 HIS A 49 -9.700 4.795 -5.832 1.00 1.00 H new ATOM 0 HE1 HIS A 49 -7.462 1.677 -7.582 1.00 1.00 H new ATOM 0 HE2 HIS A 49 -9.453 2.177 -6.050 1.00 1.00 H new ATOM 756 N SER A 50 -5.751 8.823 -6.457 1.00 1.00 N ATOM 757 CA SER A 50 -5.513 10.276 -6.563 1.00 1.00 C ATOM 758 C SER A 50 -4.055 10.581 -6.917 1.00 1.00 C ATOM 759 O SER A 50 -3.482 11.564 -6.439 1.00 1.00 O ATOM 760 CB SER A 50 -5.867 10.954 -5.231 1.00 1.00 C ATOM 761 OG SER A 50 -5.893 12.362 -5.418 1.00 1.00 O ATOM 0 H SER A 50 -5.795 8.472 -5.500 1.00 1.00 H new ATOM 0 HA SER A 50 -6.145 10.664 -7.362 1.00 1.00 H new ATOM 0 HB2 SER A 50 -6.837 10.604 -4.877 1.00 1.00 H new ATOM 0 HB3 SER A 50 -5.135 10.690 -4.468 1.00 1.00 H new ATOM 0 HG SER A 50 -5.030 12.661 -5.775 1.00 1.00 H new ATOM 767 N LYS A 51 -3.462 9.743 -7.769 1.00 1.00 N ATOM 768 CA LYS A 51 -2.061 9.917 -8.208 1.00 1.00 C ATOM 769 C LYS A 51 -1.928 9.435 -9.650 1.00 1.00 C ATOM 770 O LYS A 51 -2.932 9.207 -10.323 1.00 1.00 O ATOM 771 CB LYS A 51 -1.089 9.134 -7.281 1.00 1.00 C ATOM 772 CG LYS A 51 -1.031 9.720 -5.840 1.00 1.00 C ATOM 773 CD LYS A 51 -0.386 11.129 -5.817 1.00 1.00 C ATOM 774 CE LYS A 51 -0.290 11.640 -4.375 1.00 1.00 C ATOM 775 NZ LYS A 51 -1.666 11.801 -3.831 1.00 1.00 N ATOM 0 H LYS A 51 -3.926 8.931 -8.175 1.00 1.00 H new ATOM 0 HA LYS A 51 -1.796 10.973 -8.150 1.00 1.00 H new ATOM 0 HB2 LYS A 51 -1.401 8.091 -7.232 1.00 1.00 H new ATOM 0 HB3 LYS A 51 -0.089 9.148 -7.715 1.00 1.00 H new ATOM 0 HG2 LYS A 51 -2.039 9.775 -5.429 1.00 1.00 H new ATOM 0 HG3 LYS A 51 -0.461 9.049 -5.197 1.00 1.00 H new ATOM 0 HD2 LYS A 51 0.607 11.090 -6.264 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -0.979 11.819 -6.417 1.00 1.00 H new ATOM 0 HE2 LYS A 51 0.278 10.939 -3.763 1.00 1.00 H new ATOM 0 HE3 LYS A 51 0.241 12.591 -4.346 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 -1.774 12.757 -3.437 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 -2.359 11.661 -4.593 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 -1.828 11.097 -3.082 1.00 1.00 H new ATOM 789 N LYS A 52 -0.677 9.322 -10.132 1.00 1.00 N ATOM 790 CA LYS A 52 -0.385 8.894 -11.512 1.00 1.00 C ATOM 791 C LYS A 52 0.686 7.801 -11.499 1.00 1.00 C ATOM 792 O LYS A 52 1.327 7.551 -10.478 1.00 1.00 O ATOM 793 CB LYS A 52 0.093 10.108 -12.337 1.00 1.00 C ATOM 794 CG LYS A 52 -0.957 11.256 -12.332 1.00 1.00 C ATOM 795 CD LYS A 52 -2.242 10.867 -13.097 1.00 1.00 C ATOM 796 CE LYS A 52 -3.211 12.056 -13.122 1.00 1.00 C ATOM 797 NZ LYS A 52 -4.449 11.656 -13.849 1.00 1.00 N ATOM 0 H LYS A 52 0.156 9.524 -9.579 1.00 1.00 H new ATOM 0 HA LYS A 52 -1.289 8.490 -11.969 1.00 1.00 H new ATOM 0 HB2 LYS A 52 1.036 10.475 -11.931 1.00 1.00 H new ATOM 0 HB3 LYS A 52 0.287 9.797 -13.363 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -1.211 11.511 -11.303 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -0.522 12.148 -12.784 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -1.994 10.567 -14.115 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -2.716 10.010 -12.619 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -3.454 12.365 -12.105 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -2.746 12.911 -13.612 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -5.113 12.456 -13.871 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -4.206 11.380 -14.822 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -4.893 10.852 -13.362 1.00 1.00 H new ATOM 811 N VAL A 53 0.847 7.129 -12.638 1.00 1.00 N ATOM 812 CA VAL A 53 1.814 6.036 -12.768 1.00 1.00 C ATOM 813 C VAL A 53 3.252 6.565 -12.697 1.00 1.00 C ATOM 814 O VAL A 53 3.571 7.591 -13.296 1.00 1.00 O ATOM 815 CB VAL A 53 1.582 5.297 -14.108 1.00 1.00 C ATOM 816 CG1 VAL A 53 2.461 4.033 -14.188 1.00 1.00 C ATOM 817 CG2 VAL A 53 0.098 4.896 -14.221 1.00 1.00 C ATOM 0 H VAL A 53 0.318 7.322 -13.489 1.00 1.00 H new ATOM 0 HA VAL A 53 1.670 5.341 -11.941 1.00 1.00 H new ATOM 0 HB VAL A 53 1.851 5.964 -14.927 1.00 1.00 H new ATOM 0 HG11 VAL A 53 2.284 3.526 -15.137 1.00 1.00 H new ATOM 0 HG12 VAL A 53 3.511 4.315 -14.117 1.00 1.00 H new ATOM 0 HG13 VAL A 53 2.209 3.362 -13.366 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.067 4.375 -15.164 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -0.165 4.238 -13.393 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -0.524 5.790 -14.186 1.00 1.00 H new ATOM 827 N GLY A 54 4.124 5.849 -11.969 1.00 1.00 N ATOM 828 CA GLY A 54 5.542 6.246 -11.839 1.00 1.00 C ATOM 829 C GLY A 54 5.740 7.212 -10.677 1.00 1.00 C ATOM 830 O GLY A 54 6.862 7.629 -10.387 1.00 1.00 O ATOM 0 H GLY A 54 3.878 4.998 -11.464 1.00 1.00 H new ATOM 0 HA2 GLY A 54 6.158 5.360 -11.687 1.00 1.00 H new ATOM 0 HA3 GLY A 54 5.878 6.713 -12.765 1.00 1.00 H new ATOM 834 N ASP A 55 4.641 7.569 -10.025 1.00 1.00 N ATOM 835 CA ASP A 55 4.683 8.496 -8.893 1.00 1.00 C ATOM 836 C ASP A 55 5.520 7.897 -7.763 1.00 1.00 C ATOM 837 O ASP A 55 6.205 6.896 -7.956 1.00 1.00 O ATOM 838 CB ASP A 55 3.236 8.793 -8.412 1.00 1.00 C ATOM 839 CG ASP A 55 2.526 9.749 -9.373 1.00 1.00 C ATOM 840 OD1 ASP A 55 2.936 9.832 -10.519 1.00 1.00 O ATOM 841 OD2 ASP A 55 1.586 10.392 -8.935 1.00 1.00 O ATOM 0 H ASP A 55 3.707 7.232 -10.258 1.00 1.00 H new ATOM 0 HA ASP A 55 5.146 9.433 -9.203 1.00 1.00 H new ATOM 0 HB2 ASP A 55 2.675 7.862 -8.339 1.00 1.00 H new ATOM 0 HB3 ASP A 55 3.263 9.229 -7.413 1.00 1.00 H new ATOM 846 N THR A 56 5.458 8.525 -6.585 1.00 1.00 N ATOM 847 CA THR A 56 6.196 8.069 -5.403 1.00 1.00 C ATOM 848 C THR A 56 5.370 8.374 -4.153 1.00 1.00 C ATOM 849 O THR A 56 4.750 9.431 -4.057 1.00 1.00 O ATOM 850 CB THR A 56 7.552 8.791 -5.328 1.00 1.00 C ATOM 851 OG1 THR A 56 8.206 8.678 -6.582 1.00 1.00 O ATOM 852 CG2 THR A 56 8.436 8.173 -4.236 1.00 1.00 C ATOM 0 H THR A 56 4.897 9.361 -6.424 1.00 1.00 H new ATOM 0 HA THR A 56 6.373 6.996 -5.469 1.00 1.00 H new ATOM 0 HB THR A 56 7.381 9.840 -5.084 1.00 1.00 H new ATOM 0 HG1 THR A 56 9.071 9.137 -6.542 1.00 1.00 H new ATOM 0 HG21 THR A 56 9.390 8.698 -4.200 1.00 1.00 H new ATOM 0 HG22 THR A 56 7.937 8.260 -3.271 1.00 1.00 H new ATOM 0 HG23 THR A 56 8.610 7.121 -4.461 1.00 1.00 H new ATOM 860 N VAL A 57 5.369 7.439 -3.203 1.00 1.00 N ATOM 861 CA VAL A 57 4.622 7.593 -1.938 1.00 1.00 C ATOM 862 C VAL A 57 5.431 7.022 -0.776 1.00 1.00 C ATOM 863 O VAL A 57 6.324 6.196 -0.972 1.00 1.00 O ATOM 864 CB VAL A 57 3.252 6.870 -2.041 1.00 1.00 C ATOM 865 CG1 VAL A 57 3.453 5.396 -2.438 1.00 1.00 C ATOM 866 CG2 VAL A 57 2.467 6.968 -0.703 1.00 1.00 C ATOM 0 H VAL A 57 5.878 6.559 -3.279 1.00 1.00 H new ATOM 0 HA VAL A 57 4.450 8.654 -1.756 1.00 1.00 H new ATOM 0 HB VAL A 57 2.665 7.365 -2.814 1.00 1.00 H new ATOM 0 HG11 VAL A 57 2.484 4.902 -2.506 1.00 1.00 H new ATOM 0 HG12 VAL A 57 3.955 5.345 -3.404 1.00 1.00 H new ATOM 0 HG13 VAL A 57 4.063 4.896 -1.685 1.00 1.00 H new ATOM 0 HG21 VAL A 57 1.511 6.453 -0.803 1.00 1.00 H new ATOM 0 HG22 VAL A 57 3.047 6.504 0.094 1.00 1.00 H new ATOM 0 HG23 VAL A 57 2.291 8.016 -0.460 1.00 1.00 H new ATOM 876 N LYS A 58 5.066 7.447 0.436 1.00 1.00 N ATOM 877 CA LYS A 58 5.686 6.976 1.682 1.00 1.00 C ATOM 878 C LYS A 58 4.638 6.164 2.460 1.00 1.00 C ATOM 879 O LYS A 58 3.553 6.673 2.743 1.00 1.00 O ATOM 880 CB LYS A 58 6.129 8.196 2.507 1.00 1.00 C ATOM 881 CG LYS A 58 6.882 7.743 3.775 1.00 1.00 C ATOM 882 CD LYS A 58 7.469 8.960 4.526 1.00 1.00 C ATOM 883 CE LYS A 58 6.356 9.891 5.073 1.00 1.00 C ATOM 884 NZ LYS A 58 5.268 9.089 5.701 1.00 1.00 N ATOM 0 H LYS A 58 4.326 8.133 0.584 1.00 1.00 H new ATOM 0 HA LYS A 58 6.555 6.352 1.475 1.00 1.00 H new ATOM 0 HB2 LYS A 58 6.772 8.837 1.904 1.00 1.00 H new ATOM 0 HB3 LYS A 58 5.259 8.790 2.786 1.00 1.00 H new ATOM 0 HG2 LYS A 58 6.204 7.197 4.431 1.00 1.00 H new ATOM 0 HG3 LYS A 58 7.684 7.056 3.502 1.00 1.00 H new ATOM 0 HD2 LYS A 58 8.090 8.613 5.351 1.00 1.00 H new ATOM 0 HD3 LYS A 58 8.117 9.524 3.855 1.00 1.00 H new ATOM 0 HE2 LYS A 58 6.777 10.580 5.805 1.00 1.00 H new ATOM 0 HE3 LYS A 58 5.949 10.496 4.263 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 4.687 9.705 6.305 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 4.672 8.671 4.958 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 5.685 8.331 6.278 1.00 1.00 H new ATOM 898 N ILE A 59 4.961 4.898 2.782 1.00 1.00 N ATOM 899 CA ILE A 59 4.034 3.991 3.505 1.00 1.00 C ATOM 900 C ILE A 59 4.399 3.902 4.986 1.00 1.00 C ATOM 901 O ILE A 59 5.578 3.857 5.328 1.00 1.00 O ATOM 902 CB ILE A 59 4.079 2.560 2.863 1.00 1.00 C ATOM 903 CG1 ILE A 59 2.767 1.789 3.185 1.00 1.00 C ATOM 904 CG2 ILE A 59 5.307 1.746 3.380 1.00 1.00 C ATOM 905 CD1 ILE A 59 2.718 0.482 2.404 1.00 1.00 C ATOM 0 H ILE A 59 5.860 4.473 2.554 1.00 1.00 H new ATOM 0 HA ILE A 59 3.026 4.397 3.422 1.00 1.00 H new ATOM 0 HB ILE A 59 4.177 2.680 1.784 1.00 1.00 H new ATOM 0 HG12 ILE A 59 2.710 1.584 4.254 1.00 1.00 H new ATOM 0 HG13 ILE A 59 1.904 2.405 2.932 1.00 1.00 H new ATOM 0 HG21 ILE A 59 5.310 0.759 2.917 1.00 1.00 H new ATOM 0 HG22 ILE A 59 6.227 2.271 3.122 1.00 1.00 H new ATOM 0 HG23 ILE A 59 5.243 1.639 4.463 1.00 1.00 H new ATOM 0 HD11 ILE A 59 1.795 -0.048 2.639 1.00 1.00 H new ATOM 0 HD12 ILE A 59 2.753 0.695 1.336 1.00 1.00 H new ATOM 0 HD13 ILE A 59 3.572 -0.138 2.678 1.00 1.00 H new ATOM 917 N LYS A 60 3.383 3.819 5.852 1.00 1.00 N ATOM 918 CA LYS A 60 3.590 3.676 7.299 1.00 1.00 C ATOM 919 C LYS A 60 2.658 2.568 7.794 1.00 1.00 C ATOM 920 O LYS A 60 1.440 2.725 7.757 1.00 1.00 O ATOM 921 CB LYS A 60 3.256 5.014 8.015 1.00 1.00 C ATOM 922 CG LYS A 60 3.875 5.082 9.450 1.00 1.00 C ATOM 923 CD LYS A 60 5.327 5.604 9.411 1.00 1.00 C ATOM 924 CE LYS A 60 5.888 5.679 10.836 1.00 1.00 C ATOM 925 NZ LYS A 60 5.978 4.301 11.396 1.00 1.00 N ATOM 0 H LYS A 60 2.402 3.849 5.574 1.00 1.00 H new ATOM 0 HA LYS A 60 4.628 3.424 7.515 1.00 1.00 H new ATOM 0 HB2 LYS A 60 3.630 5.847 7.419 1.00 1.00 H new ATOM 0 HB3 LYS A 60 2.174 5.129 8.081 1.00 1.00 H new ATOM 0 HG2 LYS A 60 3.269 5.734 10.079 1.00 1.00 H new ATOM 0 HG3 LYS A 60 3.855 4.091 9.904 1.00 1.00 H new ATOM 0 HD2 LYS A 60 5.944 4.945 8.801 1.00 1.00 H new ATOM 0 HD3 LYS A 60 5.357 6.589 8.946 1.00 1.00 H new ATOM 0 HE2 LYS A 60 6.872 6.147 10.829 1.00 1.00 H new ATOM 0 HE3 LYS A 60 5.245 6.298 11.462 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 6.648 4.293 12.192 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 5.040 4.000 11.730 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 6.309 3.647 10.658 1.00 1.00 H new ATOM 939 N TYR A 61 3.232 1.449 8.249 1.00 1.00 N ATOM 940 CA TYR A 61 2.438 0.316 8.744 1.00 1.00 C ATOM 941 C TYR A 61 3.170 -0.339 9.907 1.00 1.00 C ATOM 942 O TYR A 61 4.386 -0.185 10.025 1.00 1.00 O ATOM 943 CB TYR A 61 2.212 -0.698 7.598 1.00 1.00 C ATOM 944 CG TYR A 61 3.526 -1.392 7.182 1.00 1.00 C ATOM 945 CD1 TYR A 61 4.039 -2.451 7.940 1.00 1.00 C ATOM 946 CD2 TYR A 61 4.223 -0.958 6.049 1.00 1.00 C ATOM 947 CE1 TYR A 61 5.238 -3.072 7.572 1.00 1.00 C ATOM 948 CE2 TYR A 61 5.422 -1.576 5.675 1.00 1.00 C ATOM 949 CZ TYR A 61 5.931 -2.634 6.437 1.00 1.00 C ATOM 950 OH TYR A 61 7.114 -3.247 6.069 1.00 1.00 O ATOM 0 H TYR A 61 4.241 1.302 8.285 1.00 1.00 H new ATOM 0 HA TYR A 61 1.466 0.666 9.092 1.00 1.00 H new ATOM 0 HB2 TYR A 61 1.488 -1.449 7.914 1.00 1.00 H new ATOM 0 HB3 TYR A 61 1.783 -0.185 6.737 1.00 1.00 H new ATOM 0 HD1 TYR A 61 3.506 -2.791 8.815 1.00 1.00 H new ATOM 0 HD2 TYR A 61 3.834 -0.141 5.459 1.00 1.00 H new ATOM 0 HE1 TYR A 61 5.628 -3.888 8.163 1.00 1.00 H new ATOM 0 HE2 TYR A 61 5.954 -1.237 4.799 1.00 1.00 H new ATOM 0 HH TYR A 61 6.931 -3.930 5.391 1.00 1.00 H new ATOM 960 N LYS A 62 2.445 -1.075 10.776 1.00 1.00 N ATOM 961 CA LYS A 62 3.052 -1.750 11.937 1.00 1.00 C ATOM 962 C LYS A 62 2.905 -3.272 11.802 1.00 1.00 C ATOM 963 O LYS A 62 1.790 -3.794 11.844 1.00 1.00 O ATOM 964 CB LYS A 62 2.310 -1.287 13.209 1.00 1.00 C ATOM 965 CG LYS A 62 2.951 -1.891 14.474 1.00 1.00 C ATOM 966 CD LYS A 62 2.209 -1.401 15.727 1.00 1.00 C ATOM 967 CE LYS A 62 2.866 -1.998 16.981 1.00 1.00 C ATOM 968 NZ LYS A 62 2.144 -1.528 18.197 1.00 1.00 N ATOM 0 H LYS A 62 1.438 -1.215 10.693 1.00 1.00 H new ATOM 0 HA LYS A 62 4.111 -1.500 11.992 1.00 1.00 H new ATOM 0 HB2 LYS A 62 2.331 -0.199 13.271 1.00 1.00 H new ATOM 0 HB3 LYS A 62 1.263 -1.583 13.151 1.00 1.00 H new ATOM 0 HG2 LYS A 62 2.917 -2.979 14.424 1.00 1.00 H new ATOM 0 HG3 LYS A 62 4.002 -1.607 14.530 1.00 1.00 H new ATOM 0 HD2 LYS A 62 2.234 -0.312 15.774 1.00 1.00 H new ATOM 0 HD3 LYS A 62 1.160 -1.694 15.679 1.00 1.00 H new ATOM 0 HE2 LYS A 62 2.845 -3.087 16.931 1.00 1.00 H new ATOM 0 HE3 LYS A 62 3.914 -1.702 17.031 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 2.591 -1.933 19.044 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 2.186 -0.490 18.246 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 1.151 -1.832 18.150 1.00 1.00 H new ATOM 982 N HIS A 63 4.041 -3.974 11.684 1.00 1.00 N ATOM 983 CA HIS A 63 4.076 -5.445 11.593 1.00 1.00 C ATOM 984 C HIS A 63 4.868 -5.977 12.790 1.00 1.00 C ATOM 985 O HIS A 63 6.058 -5.695 12.923 1.00 1.00 O ATOM 986 CB HIS A 63 4.755 -5.880 10.275 1.00 1.00 C ATOM 987 CG HIS A 63 4.702 -7.382 10.139 1.00 1.00 C ATOM 988 ND1 HIS A 63 3.500 -8.063 10.037 1.00 1.00 N ATOM 989 CD2 HIS A 63 5.684 -8.346 10.127 1.00 1.00 C ATOM 990 CE1 HIS A 63 3.785 -9.374 9.969 1.00 1.00 C ATOM 991 NE2 HIS A 63 5.098 -9.607 10.019 1.00 1.00 N ATOM 0 H HIS A 63 4.963 -3.540 11.649 1.00 1.00 H new ATOM 0 HA HIS A 63 3.062 -5.846 11.603 1.00 1.00 H new ATOM 0 HB2 HIS A 63 4.255 -5.412 9.427 1.00 1.00 H new ATOM 0 HB3 HIS A 63 5.791 -5.542 10.261 1.00 1.00 H new ATOM 0 HD1 HIS A 63 2.569 -7.646 10.017 1.00 1.00 H new ATOM 0 HD2 HIS A 63 6.745 -8.155 10.191 1.00 1.00 H new ATOM 0 HE1 HIS A 63 3.038 -10.149 9.884 1.00 1.00 H new ATOM 1000 N GLY A 64 4.201 -6.728 13.669 1.00 1.00 N ATOM 1001 CA GLY A 64 4.847 -7.268 14.867 1.00 1.00 C ATOM 1002 C GLY A 64 5.090 -6.163 15.895 1.00 1.00 C ATOM 1003 O GLY A 64 4.197 -5.367 16.175 1.00 1.00 O ATOM 0 H GLY A 64 3.216 -6.976 13.574 1.00 1.00 H new ATOM 0 HA2 GLY A 64 4.222 -8.047 15.304 1.00 1.00 H new ATOM 0 HA3 GLY A 64 5.794 -7.734 14.596 1.00 1.00 H new ATOM 1007 N ASN A 65 6.306 -6.126 16.463 1.00 1.00 N ATOM 1008 CA ASN A 65 6.685 -5.123 17.477 1.00 1.00 C ATOM 1009 C ASN A 65 7.649 -4.087 16.893 1.00 1.00 C ATOM 1010 O ASN A 65 8.108 -3.196 17.610 1.00 1.00 O ATOM 1011 CB ASN A 65 7.361 -5.838 18.657 1.00 1.00 C ATOM 1012 CG ASN A 65 6.398 -6.850 19.278 1.00 1.00 C ATOM 1013 OD1 ASN A 65 6.820 -7.882 19.798 1.00 1.00 O ATOM 1014 ND2 ASN A 65 5.113 -6.623 19.255 1.00 1.00 N ATOM 0 H ASN A 65 7.051 -6.785 16.236 1.00 1.00 H new ATOM 0 HA ASN A 65 5.786 -4.605 17.810 1.00 1.00 H new ATOM 0 HB2 ASN A 65 8.264 -6.345 18.316 1.00 1.00 H new ATOM 0 HB3 ASN A 65 7.668 -5.109 19.407 1.00 1.00 H new ATOM 0 HD21 ASN A 65 4.468 -7.298 19.666 1.00 1.00 H new ATOM 0 HD22 ASN A 65 4.753 -5.770 18.826 1.00 1.00 H new ATOM 1021 N LYS A 66 7.958 -4.212 15.590 1.00 1.00 N ATOM 1022 CA LYS A 66 8.886 -3.290 14.895 1.00 1.00 C ATOM 1023 C LYS A 66 8.200 -2.615 13.687 1.00 1.00 C ATOM 1024 O LYS A 66 7.745 -3.273 12.755 1.00 1.00 O ATOM 1025 CB LYS A 66 10.155 -4.066 14.449 1.00 1.00 C ATOM 1026 CG LYS A 66 9.782 -5.336 13.657 1.00 1.00 C ATOM 1027 CD LYS A 66 11.062 -6.096 13.265 1.00 1.00 C ATOM 1028 CE LYS A 66 10.694 -7.372 12.503 1.00 1.00 C ATOM 1029 NZ LYS A 66 9.917 -7.014 11.283 1.00 1.00 N ATOM 0 H LYS A 66 7.578 -4.945 14.991 1.00 1.00 H new ATOM 0 HA LYS A 66 9.178 -2.500 15.587 1.00 1.00 H new ATOM 0 HB2 LYS A 66 10.781 -3.421 13.833 1.00 1.00 H new ATOM 0 HB3 LYS A 66 10.744 -4.340 15.325 1.00 1.00 H new ATOM 0 HG2 LYS A 66 9.137 -5.976 14.259 1.00 1.00 H new ATOM 0 HG3 LYS A 66 9.219 -5.067 12.763 1.00 1.00 H new ATOM 0 HD2 LYS A 66 11.697 -5.462 12.646 1.00 1.00 H new ATOM 0 HD3 LYS A 66 11.635 -6.347 14.158 1.00 1.00 H new ATOM 0 HE2 LYS A 66 11.597 -7.916 12.226 1.00 1.00 H new ATOM 0 HE3 LYS A 66 10.107 -8.033 13.141 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 10.052 -7.747 10.558 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 8.907 -6.946 11.522 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 10.248 -6.099 10.916 1.00 1.00 H new ATOM 1043 N ASN A 67 8.121 -1.278 13.724 1.00 1.00 N ATOM 1044 CA ASN A 67 7.504 -0.507 12.644 1.00 1.00 C ATOM 1045 C ASN A 67 8.524 -0.296 11.524 1.00 1.00 C ATOM 1046 O ASN A 67 9.610 0.230 11.759 1.00 1.00 O ATOM 1047 CB ASN A 67 7.041 0.859 13.173 1.00 1.00 C ATOM 1048 CG ASN A 67 6.001 0.672 14.272 1.00 1.00 C ATOM 1049 OD1 ASN A 67 6.029 -0.317 15.005 1.00 1.00 O ATOM 1050 ND2 ASN A 67 5.065 1.566 14.440 1.00 1.00 N ATOM 0 H ASN A 67 8.478 -0.710 14.492 1.00 1.00 H new ATOM 0 HA ASN A 67 6.643 -1.054 12.261 1.00 1.00 H new ATOM 0 HB2 ASN A 67 7.894 1.416 13.560 1.00 1.00 H new ATOM 0 HB3 ASN A 67 6.619 1.449 12.359 1.00 1.00 H new ATOM 0 HD21 ASN A 67 4.366 1.441 15.173 1.00 1.00 H new ATOM 0 HD22 ASN A 67 5.032 2.389 13.839 1.00 1.00 H new ATOM 1057 N GLU A 68 8.160 -0.719 10.309 1.00 1.00 N ATOM 1058 CA GLU A 68 9.024 -0.590 9.119 1.00 1.00 C ATOM 1059 C GLU A 68 8.387 0.368 8.114 1.00 1.00 C ATOM 1060 O GLU A 68 7.169 0.370 7.938 1.00 1.00 O ATOM 1061 CB GLU A 68 9.199 -1.968 8.462 1.00 1.00 C ATOM 1062 CG GLU A 68 9.884 -2.926 9.446 1.00 1.00 C ATOM 1063 CD GLU A 68 10.072 -4.307 8.812 1.00 1.00 C ATOM 1064 OE1 GLU A 68 9.865 -4.433 7.617 1.00 1.00 O ATOM 1065 OE2 GLU A 68 10.427 -5.225 9.535 1.00 1.00 O ATOM 0 H GLU A 68 7.261 -1.160 10.117 1.00 1.00 H new ATOM 0 HA GLU A 68 9.995 -0.200 9.424 1.00 1.00 H new ATOM 0 HB2 GLU A 68 8.229 -2.367 8.167 1.00 1.00 H new ATOM 0 HB3 GLU A 68 9.795 -1.876 7.554 1.00 1.00 H new ATOM 0 HG2 GLU A 68 10.852 -2.521 9.742 1.00 1.00 H new ATOM 0 HG3 GLU A 68 9.285 -3.015 10.352 1.00 1.00 H new ATOM 1072 N GLU A 69 9.227 1.182 7.453 1.00 1.00 N ATOM 1073 CA GLU A 69 8.780 2.165 6.447 1.00 1.00 C ATOM 1074 C GLU A 69 9.532 1.920 5.138 1.00 1.00 C ATOM 1075 O GLU A 69 10.739 1.675 5.143 1.00 1.00 O ATOM 1076 CB GLU A 69 9.058 3.601 6.965 1.00 1.00 C ATOM 1077 CG GLU A 69 8.792 4.687 5.864 1.00 1.00 C ATOM 1078 CD GLU A 69 10.018 4.888 4.965 1.00 1.00 C ATOM 1079 OE1 GLU A 69 11.058 5.254 5.485 1.00 1.00 O ATOM 1080 OE2 GLU A 69 9.898 4.708 3.765 1.00 1.00 O ATOM 0 H GLU A 69 10.236 1.178 7.600 1.00 1.00 H new ATOM 0 HA GLU A 69 7.710 2.056 6.272 1.00 1.00 H new ATOM 0 HB2 GLU A 69 8.428 3.802 7.831 1.00 1.00 H new ATOM 0 HB3 GLU A 69 10.093 3.671 7.300 1.00 1.00 H new ATOM 0 HG2 GLU A 69 7.938 4.388 5.256 1.00 1.00 H new ATOM 0 HG3 GLU A 69 8.529 5.632 6.340 1.00 1.00 H new ATOM 1087 N ALA A 70 8.801 1.972 4.021 1.00 1.00 N ATOM 1088 CA ALA A 70 9.386 1.739 2.695 1.00 1.00 C ATOM 1089 C ALA A 70 8.662 2.554 1.612 1.00 1.00 C ATOM 1090 O ALA A 70 7.446 2.485 1.469 1.00 1.00 O ATOM 1091 CB ALA A 70 9.258 0.248 2.374 1.00 1.00 C ATOM 0 H ALA A 70 7.801 2.174 4.007 1.00 1.00 H new ATOM 0 HA ALA A 70 10.430 2.051 2.707 1.00 1.00 H new ATOM 0 HB1 ALA A 70 9.686 0.049 1.392 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.791 -0.333 3.127 1.00 1.00 H new ATOM 0 HB3 ALA A 70 8.205 -0.035 2.375 1.00 1.00 H new ATOM 1097 N SER A 71 9.435 3.296 0.819 1.00 1.00 N ATOM 1098 CA SER A 71 8.863 4.094 -0.277 1.00 1.00 C ATOM 1099 C SER A 71 8.755 3.224 -1.526 1.00 1.00 C ATOM 1100 O SER A 71 9.649 2.426 -1.815 1.00 1.00 O ATOM 1101 CB SER A 71 9.721 5.340 -0.562 1.00 1.00 C ATOM 1102 OG SER A 71 9.986 6.014 0.662 1.00 1.00 O ATOM 0 H SER A 71 10.449 3.364 0.909 1.00 1.00 H new ATOM 0 HA SER A 71 7.871 4.437 0.016 1.00 1.00 H new ATOM 0 HB2 SER A 71 10.656 5.051 -1.042 1.00 1.00 H new ATOM 0 HB3 SER A 71 9.201 6.005 -1.252 1.00 1.00 H new ATOM 0 HG SER A 71 10.534 6.808 0.487 1.00 1.00 H new ATOM 1108 N ILE A 72 7.644 3.375 -2.253 1.00 1.00 N ATOM 1109 CA ILE A 72 7.376 2.598 -3.468 1.00 1.00 C ATOM 1110 C ILE A 72 6.741 3.477 -4.534 1.00 1.00 C ATOM 1111 O ILE A 72 6.018 4.422 -4.226 1.00 1.00 O ATOM 1112 CB ILE A 72 6.427 1.419 -3.143 1.00 1.00 C ATOM 1113 CG1 ILE A 72 5.255 1.911 -2.252 1.00 1.00 C ATOM 1114 CG2 ILE A 72 7.214 0.303 -2.442 1.00 1.00 C ATOM 1115 CD1 ILE A 72 4.201 0.803 -2.082 1.00 1.00 C ATOM 0 H ILE A 72 6.906 4.038 -2.017 1.00 1.00 H new ATOM 0 HA ILE A 72 8.323 2.211 -3.845 1.00 1.00 H new ATOM 0 HB ILE A 72 6.009 1.023 -4.068 1.00 1.00 H new ATOM 0 HG12 ILE A 72 5.635 2.212 -1.276 1.00 1.00 H new ATOM 0 HG13 ILE A 72 4.795 2.792 -2.700 1.00 1.00 H new ATOM 0 HG21 ILE A 72 6.544 -0.526 -2.214 1.00 1.00 H new ATOM 0 HG22 ILE A 72 8.013 -0.045 -3.097 1.00 1.00 H new ATOM 0 HG23 ILE A 72 7.644 0.687 -1.517 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.388 1.168 -1.454 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.807 0.522 -3.059 1.00 1.00 H new ATOM 0 HD13 ILE A 72 4.660 -0.067 -1.612 1.00 1.00 H new ATOM 1127 N LYS A 73 7.010 3.135 -5.799 1.00 1.00 N ATOM 1128 CA LYS A 73 6.456 3.861 -6.942 1.00 1.00 C ATOM 1129 C LYS A 73 5.158 3.180 -7.392 1.00 1.00 C ATOM 1130 O LYS A 73 5.091 1.953 -7.438 1.00 1.00 O ATOM 1131 CB LYS A 73 7.507 3.903 -8.091 1.00 1.00 C ATOM 1132 CG LYS A 73 7.570 2.553 -8.855 1.00 1.00 C ATOM 1133 CD LYS A 73 8.768 2.537 -9.817 1.00 1.00 C ATOM 1134 CE LYS A 73 8.838 1.179 -10.529 1.00 1.00 C ATOM 1135 NZ LYS A 73 7.566 0.939 -11.271 1.00 1.00 N ATOM 0 H LYS A 73 7.613 2.353 -6.056 1.00 1.00 H new ATOM 0 HA LYS A 73 6.223 4.888 -6.661 1.00 1.00 H new ATOM 0 HB2 LYS A 73 7.256 4.704 -8.786 1.00 1.00 H new ATOM 0 HB3 LYS A 73 8.489 4.135 -7.679 1.00 1.00 H new ATOM 0 HG2 LYS A 73 7.654 1.730 -8.145 1.00 1.00 H new ATOM 0 HG3 LYS A 73 6.646 2.400 -9.412 1.00 1.00 H new ATOM 0 HD2 LYS A 73 8.670 3.338 -10.549 1.00 1.00 H new ATOM 0 HD3 LYS A 73 9.691 2.719 -9.267 1.00 1.00 H new ATOM 0 HE2 LYS A 73 9.682 1.161 -11.218 1.00 1.00 H new ATOM 0 HE3 LYS A 73 9.003 0.384 -9.802 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 7.030 0.179 -10.805 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 6.998 1.810 -11.276 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 7.782 0.661 -12.249 1.00 1.00 H new ATOM 1149 N LEU A 74 4.138 3.961 -7.737 1.00 1.00 N ATOM 1150 CA LEU A 74 2.870 3.385 -8.189 1.00 1.00 C ATOM 1151 C LEU A 74 3.090 2.616 -9.505 1.00 1.00 C ATOM 1152 O LEU A 74 3.982 2.947 -10.294 1.00 1.00 O ATOM 1153 CB LEU A 74 1.842 4.505 -8.415 1.00 1.00 C ATOM 1154 CG LEU A 74 1.238 5.045 -7.080 1.00 1.00 C ATOM 1155 CD1 LEU A 74 0.322 3.988 -6.385 1.00 1.00 C ATOM 1156 CD2 LEU A 74 2.365 5.510 -6.120 1.00 1.00 C ATOM 0 H LEU A 74 4.160 4.980 -7.714 1.00 1.00 H new ATOM 0 HA LEU A 74 2.496 2.701 -7.427 1.00 1.00 H new ATOM 0 HB2 LEU A 74 2.317 5.326 -8.953 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.037 4.132 -9.049 1.00 1.00 H new ATOM 0 HG LEU A 74 0.613 5.903 -7.328 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -0.077 4.404 -5.460 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.501 3.726 -7.050 1.00 1.00 H new ATOM 0 HD13 LEU A 74 0.904 3.095 -6.159 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.924 5.883 -5.195 1.00 1.00 H new ATOM 0 HD22 LEU A 74 3.022 4.669 -5.896 1.00 1.00 H new ATOM 0 HD23 LEU A 74 2.941 6.305 -6.594 1.00 1.00 H new ATOM 1168 N THR A 75 2.264 1.580 -9.724 1.00 1.00 N ATOM 1169 CA THR A 75 2.341 0.737 -10.932 1.00 1.00 C ATOM 1170 C THR A 75 0.934 0.447 -11.465 1.00 1.00 C ATOM 1171 O THR A 75 -0.049 0.535 -10.729 1.00 1.00 O ATOM 1172 CB THR A 75 3.033 -0.592 -10.583 1.00 1.00 C ATOM 1173 OG1 THR A 75 2.237 -1.297 -9.642 1.00 1.00 O ATOM 1174 CG2 THR A 75 4.415 -0.326 -9.977 1.00 1.00 C ATOM 0 H THR A 75 1.528 1.303 -9.074 1.00 1.00 H new ATOM 0 HA THR A 75 2.911 1.265 -11.697 1.00 1.00 H new ATOM 0 HB THR A 75 3.152 -1.183 -11.491 1.00 1.00 H new ATOM 0 HG1 THR A 75 1.492 -0.730 -9.354 1.00 1.00 H new ATOM 0 HG21 THR A 75 4.895 -1.274 -9.734 1.00 1.00 H new ATOM 0 HG22 THR A 75 5.029 0.218 -10.695 1.00 1.00 H new ATOM 0 HG23 THR A 75 4.306 0.268 -9.070 1.00 1.00 H new ATOM 1182 N ALA A 76 0.851 0.076 -12.749 1.00 1.00 N ATOM 1183 CA ALA A 76 -0.437 -0.263 -13.385 1.00 1.00 C ATOM 1184 C ALA A 76 -0.811 -1.707 -13.034 1.00 1.00 C ATOM 1185 O ALA A 76 0.042 -2.590 -13.090 1.00 1.00 O ATOM 1186 CB ALA A 76 -0.322 -0.124 -14.910 1.00 1.00 C ATOM 0 H ALA A 76 1.657 0.002 -13.370 1.00 1.00 H new ATOM 0 HA ALA A 76 -1.207 0.418 -13.021 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -1.277 -0.376 -15.371 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -0.057 0.903 -15.163 1.00 1.00 H new ATOM 0 HB3 ALA A 76 0.449 -0.800 -15.280 1.00 1.00 H new ATOM 1192 N ILE A 77 -2.087 -1.941 -12.662 1.00 1.00 N ATOM 1193 CA ILE A 77 -2.572 -3.292 -12.284 1.00 1.00 C ATOM 1194 C ILE A 77 -3.920 -3.606 -12.946 1.00 1.00 C ATOM 1195 O ILE A 77 -4.406 -4.737 -12.878 1.00 1.00 O ATOM 1196 CB ILE A 77 -2.694 -3.400 -10.734 1.00 1.00 C ATOM 1197 CG1 ILE A 77 -3.909 -2.587 -10.167 1.00 1.00 C ATOM 1198 CG2 ILE A 77 -1.397 -2.894 -10.086 1.00 1.00 C ATOM 1199 CD1 ILE A 77 -3.900 -1.116 -10.625 1.00 1.00 C ATOM 0 H ILE A 77 -2.802 -1.215 -12.614 1.00 1.00 H new ATOM 0 HA ILE A 77 -1.847 -4.024 -12.639 1.00 1.00 H new ATOM 0 HB ILE A 77 -2.863 -4.449 -10.493 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -4.838 -3.058 -10.487 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -3.891 -2.625 -9.078 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -1.479 -2.968 -9.002 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -0.558 -3.500 -10.429 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -1.232 -1.854 -10.367 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -4.762 -0.599 -10.204 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -2.985 -0.634 -10.282 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -3.947 -1.073 -11.713 1.00 1.00 H new ATOM 1211 N ASP A 78 -4.515 -2.590 -13.586 1.00 1.00 N ATOM 1212 CA ASP A 78 -5.812 -2.725 -14.272 1.00 1.00 C ATOM 1213 C ASP A 78 -5.703 -2.219 -15.709 1.00 1.00 C ATOM 1214 O ASP A 78 -4.920 -1.315 -15.998 1.00 1.00 O ATOM 1215 CB ASP A 78 -6.872 -1.918 -13.506 1.00 1.00 C ATOM 1216 CG ASP A 78 -7.053 -2.482 -12.100 1.00 1.00 C ATOM 1217 OD1 ASP A 78 -6.809 -3.662 -11.905 1.00 1.00 O ATOM 1218 OD2 ASP A 78 -7.448 -1.735 -11.221 1.00 1.00 O ATOM 0 H ASP A 78 -4.114 -1.654 -13.644 1.00 1.00 H new ATOM 0 HA ASP A 78 -6.102 -3.775 -14.298 1.00 1.00 H new ATOM 0 HB2 ASP A 78 -6.572 -0.872 -13.450 1.00 1.00 H new ATOM 0 HB3 ASP A 78 -7.820 -1.949 -14.042 1.00 1.00 H new ATOM 1223 N LYS A 79 -6.479 -2.823 -16.606 1.00 1.00 N ATOM 1224 CA LYS A 79 -6.476 -2.458 -18.026 1.00 1.00 C ATOM 1225 C LYS A 79 -6.595 -0.940 -18.225 1.00 1.00 C ATOM 1226 O LYS A 79 -6.046 -0.385 -19.176 1.00 1.00 O ATOM 1227 CB LYS A 79 -7.656 -3.160 -18.739 1.00 1.00 C ATOM 1228 CG LYS A 79 -7.694 -4.684 -18.456 1.00 1.00 C ATOM 1229 CD LYS A 79 -6.444 -5.398 -19.012 1.00 1.00 C ATOM 1230 CE LYS A 79 -6.594 -6.921 -18.858 1.00 1.00 C ATOM 1231 NZ LYS A 79 -6.665 -7.269 -17.411 1.00 1.00 N ATOM 0 H LYS A 79 -7.126 -3.576 -16.373 1.00 1.00 H new ATOM 0 HA LYS A 79 -5.526 -2.780 -18.452 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -8.594 -2.709 -18.414 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -7.578 -2.994 -19.814 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -7.762 -4.853 -17.381 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -8.589 -5.115 -18.904 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -6.307 -5.143 -20.063 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -5.555 -5.057 -18.482 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -7.494 -7.262 -19.370 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -5.750 -7.429 -19.324 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -6.545 -8.295 -17.294 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -5.910 -6.771 -16.897 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -7.590 -6.983 -17.030 1.00 1.00 H new ATOM 1245 N LYS A 80 -7.326 -0.276 -17.329 1.00 1.00 N ATOM 1246 CA LYS A 80 -7.525 1.181 -17.422 1.00 1.00 C ATOM 1247 C LYS A 80 -6.300 1.932 -16.899 1.00 1.00 C ATOM 1248 O LYS A 80 -6.315 3.157 -16.783 1.00 1.00 O ATOM 1249 CB LYS A 80 -8.786 1.593 -16.626 1.00 1.00 C ATOM 1250 CG LYS A 80 -8.656 1.154 -15.158 1.00 1.00 C ATOM 1251 CD LYS A 80 -9.950 1.463 -14.367 1.00 1.00 C ATOM 1252 CE LYS A 80 -10.224 2.983 -14.284 1.00 1.00 C ATOM 1253 NZ LYS A 80 -11.198 3.240 -13.182 1.00 1.00 N ATOM 0 H LYS A 80 -7.790 -0.715 -16.534 1.00 1.00 H new ATOM 0 HA LYS A 80 -7.663 1.445 -18.471 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -8.921 2.673 -16.679 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -9.671 1.138 -17.072 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -8.444 0.086 -15.112 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -7.812 1.666 -14.695 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -10.795 0.967 -14.845 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -9.867 1.053 -13.360 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -9.296 3.524 -14.100 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -10.622 3.346 -15.231 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -11.389 4.260 -13.118 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -12.085 2.733 -13.378 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -10.800 2.905 -12.281 1.00 1.00 H new ATOM 1267 N GLY A 81 -5.236 1.189 -16.606 1.00 1.00 N ATOM 1268 CA GLY A 81 -3.997 1.790 -16.122 1.00 1.00 C ATOM 1269 C GLY A 81 -4.203 2.612 -14.849 1.00 1.00 C ATOM 1270 O GLY A 81 -3.700 3.733 -14.745 1.00 1.00 O ATOM 0 H GLY A 81 -5.207 0.173 -16.695 1.00 1.00 H new ATOM 0 HA2 GLY A 81 -3.267 1.004 -15.929 1.00 1.00 H new ATOM 0 HA3 GLY A 81 -3.579 2.429 -16.900 1.00 1.00 H new ATOM 1274 N THR A 82 -4.935 2.057 -13.873 1.00 1.00 N ATOM 1275 CA THR A 82 -5.174 2.774 -12.607 1.00 1.00 C ATOM 1276 C THR A 82 -3.931 2.646 -11.689 1.00 1.00 C ATOM 1277 O THR A 82 -3.599 1.532 -11.292 1.00 1.00 O ATOM 1278 CB THR A 82 -6.399 2.172 -11.873 1.00 1.00 C ATOM 1279 OG1 THR A 82 -7.576 2.611 -12.528 1.00 1.00 O ATOM 1280 CG2 THR A 82 -6.464 2.635 -10.387 1.00 1.00 C ATOM 0 H THR A 82 -5.365 1.134 -13.930 1.00 1.00 H new ATOM 0 HA THR A 82 -5.364 3.823 -12.834 1.00 1.00 H new ATOM 0 HB THR A 82 -6.309 1.086 -11.893 1.00 1.00 H new ATOM 0 HG1 THR A 82 -8.361 2.237 -12.076 1.00 1.00 H new ATOM 0 HG21 THR A 82 -7.336 2.192 -9.906 1.00 1.00 H new ATOM 0 HG22 THR A 82 -5.561 2.316 -9.867 1.00 1.00 H new ATOM 0 HG23 THR A 82 -6.540 3.722 -10.347 1.00 1.00 H new ATOM 1288 N PRO A 83 -3.264 3.726 -11.298 1.00 1.00 N ATOM 1289 CA PRO A 83 -2.089 3.623 -10.365 1.00 1.00 C ATOM 1290 C PRO A 83 -2.459 2.832 -9.091 1.00 1.00 C ATOM 1291 O PRO A 83 -3.430 3.166 -8.414 1.00 1.00 O ATOM 1292 CB PRO A 83 -1.757 5.107 -10.027 1.00 1.00 C ATOM 1293 CG PRO A 83 -2.311 5.902 -11.172 1.00 1.00 C ATOM 1294 CD PRO A 83 -3.529 5.128 -11.692 1.00 1.00 C ATOM 0 HA PRO A 83 -1.245 3.091 -10.805 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -2.211 5.407 -9.083 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -0.682 5.257 -9.926 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -2.597 6.902 -10.847 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -1.565 6.023 -11.957 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -4.454 5.498 -11.250 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -3.631 5.225 -12.773 1.00 1.00 H new ATOM 1302 N GLY A 84 -1.688 1.792 -8.777 1.00 1.00 N ATOM 1303 CA GLY A 84 -1.966 0.983 -7.583 1.00 1.00 C ATOM 1304 C GLY A 84 -1.062 -0.242 -7.492 1.00 1.00 C ATOM 1305 O GLY A 84 -0.333 -0.566 -8.430 1.00 1.00 O ATOM 0 H GLY A 84 -0.879 1.490 -9.320 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -1.834 1.597 -6.692 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.008 0.663 -7.598 1.00 1.00 H new ATOM 1309 N ILE A 85 -1.156 -0.940 -6.348 1.00 1.00 N ATOM 1310 CA ILE A 85 -0.397 -2.179 -6.087 1.00 1.00 C ATOM 1311 C ILE A 85 -1.348 -3.354 -6.362 1.00 1.00 C ATOM 1312 O ILE A 85 -2.532 -3.140 -6.626 1.00 1.00 O ATOM 1313 CB ILE A 85 0.156 -2.208 -4.605 1.00 1.00 C ATOM 1314 CG1 ILE A 85 -0.799 -1.397 -3.638 1.00 1.00 C ATOM 1315 CG2 ILE A 85 1.612 -1.649 -4.554 1.00 1.00 C ATOM 1316 CD1 ILE A 85 -0.444 0.104 -3.568 1.00 1.00 C ATOM 0 H ILE A 85 -1.761 -0.662 -5.575 1.00 1.00 H new ATOM 0 HA ILE A 85 0.477 -2.242 -6.735 1.00 1.00 H new ATOM 0 HB ILE A 85 0.179 -3.243 -4.264 1.00 1.00 H new ATOM 0 HG12 ILE A 85 -1.829 -1.507 -3.976 1.00 1.00 H new ATOM 0 HG13 ILE A 85 -0.745 -1.826 -2.637 1.00 1.00 H new ATOM 0 HG21 ILE A 85 1.976 -1.676 -3.527 1.00 1.00 H new ATOM 0 HG22 ILE A 85 2.258 -2.259 -5.185 1.00 1.00 H new ATOM 0 HG23 ILE A 85 1.620 -0.620 -4.914 1.00 1.00 H new ATOM 0 HD11 ILE A 85 -1.132 0.609 -2.890 1.00 1.00 H new ATOM 0 HD12 ILE A 85 0.576 0.220 -3.202 1.00 1.00 H new ATOM 0 HD13 ILE A 85 -0.525 0.544 -4.562 1.00 1.00 H new ATOM 1328 N GLY A 86 -0.828 -4.585 -6.319 1.00 1.00 N ATOM 1329 CA GLY A 86 -1.623 -5.799 -6.583 1.00 1.00 C ATOM 1330 C GLY A 86 -1.934 -6.525 -5.286 1.00 1.00 C ATOM 1331 O GLY A 86 -1.242 -7.471 -4.904 1.00 1.00 O ATOM 0 H GLY A 86 0.151 -4.773 -6.102 1.00 1.00 H new ATOM 0 HA2 GLY A 86 -2.551 -5.530 -7.087 1.00 1.00 H new ATOM 0 HA3 GLY A 86 -1.075 -6.460 -7.254 1.00 1.00 H new ATOM 1335 N ILE A 87 -2.990 -6.071 -4.615 1.00 1.00 N ATOM 1336 CA ILE A 87 -3.434 -6.666 -3.345 1.00 1.00 C ATOM 1337 C ILE A 87 -4.957 -6.659 -3.248 1.00 1.00 C ATOM 1338 O ILE A 87 -5.647 -6.007 -4.034 1.00 1.00 O ATOM 1339 CB ILE A 87 -2.787 -5.929 -2.124 1.00 1.00 C ATOM 1340 CG1 ILE A 87 -3.471 -4.550 -1.825 1.00 1.00 C ATOM 1341 CG2 ILE A 87 -1.278 -5.711 -2.369 1.00 1.00 C ATOM 1342 CD1 ILE A 87 -3.577 -3.676 -3.081 1.00 1.00 C ATOM 0 H ILE A 87 -3.562 -5.287 -4.928 1.00 1.00 H new ATOM 0 HA ILE A 87 -3.100 -7.703 -3.321 1.00 1.00 H new ATOM 0 HB ILE A 87 -2.936 -6.569 -1.254 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -4.467 -4.721 -1.417 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -2.901 -4.020 -1.062 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.841 -5.198 -1.513 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -0.788 -6.675 -2.503 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -1.139 -5.106 -3.265 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -4.057 -2.731 -2.827 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.579 -3.482 -3.475 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -4.170 -4.193 -3.835 1.00 1.00 H new ATOM 1354 N THR A 88 -5.464 -7.393 -2.257 1.00 1.00 N ATOM 1355 CA THR A 88 -6.909 -7.495 -1.980 1.00 1.00 C ATOM 1356 C THR A 88 -7.167 -7.182 -0.494 1.00 1.00 C ATOM 1357 O THR A 88 -6.480 -7.701 0.392 1.00 1.00 O ATOM 1358 CB THR A 88 -7.418 -8.911 -2.340 1.00 1.00 C ATOM 1359 OG1 THR A 88 -7.358 -9.073 -3.755 1.00 1.00 O ATOM 1360 CG2 THR A 88 -8.872 -9.123 -1.850 1.00 1.00 C ATOM 0 H THR A 88 -4.886 -7.938 -1.617 1.00 1.00 H new ATOM 0 HA THR A 88 -7.451 -6.773 -2.591 1.00 1.00 H new ATOM 0 HB THR A 88 -6.787 -9.650 -1.847 1.00 1.00 H new ATOM 0 HG1 THR A 88 -7.677 -9.968 -3.996 1.00 1.00 H new ATOM 0 HG21 THR A 88 -9.203 -10.127 -2.117 1.00 1.00 H new ATOM 0 HG22 THR A 88 -8.912 -9.004 -0.767 1.00 1.00 H new ATOM 0 HG23 THR A 88 -9.525 -8.388 -2.321 1.00 1.00 H new ATOM 1368 N LEU A 89 -8.164 -6.324 -0.238 1.00 1.00 N ATOM 1369 CA LEU A 89 -8.544 -5.916 1.119 1.00 1.00 C ATOM 1370 C LEU A 89 -9.770 -6.723 1.570 1.00 1.00 C ATOM 1371 O LEU A 89 -10.487 -7.297 0.740 1.00 1.00 O ATOM 1372 CB LEU A 89 -8.852 -4.401 1.145 1.00 1.00 C ATOM 1373 CG LEU A 89 -7.705 -3.554 0.484 1.00 1.00 C ATOM 1374 CD1 LEU A 89 -6.315 -3.924 1.064 1.00 1.00 C ATOM 1375 CD2 LEU A 89 -7.703 -3.679 -1.082 1.00 1.00 C ATOM 0 H LEU A 89 -8.730 -5.893 -0.969 1.00 1.00 H new ATOM 0 HA LEU A 89 -7.720 -6.113 1.805 1.00 1.00 H new ATOM 0 HB2 LEU A 89 -9.789 -4.213 0.621 1.00 1.00 H new ATOM 0 HB3 LEU A 89 -8.993 -4.078 2.176 1.00 1.00 H new ATOM 0 HG LEU A 89 -7.909 -2.512 0.730 1.00 1.00 H new ATOM 0 HD11 LEU A 89 -5.547 -3.318 0.583 1.00 1.00 H new ATOM 0 HD12 LEU A 89 -6.307 -3.735 2.137 1.00 1.00 H new ATOM 0 HD13 LEU A 89 -6.113 -4.979 0.880 1.00 1.00 H new ATOM 0 HD21 LEU A 89 -6.893 -3.077 -1.494 1.00 1.00 H new ATOM 0 HD22 LEU A 89 -7.559 -4.722 -1.364 1.00 1.00 H new ATOM 0 HD23 LEU A 89 -8.655 -3.325 -1.476 1.00 1.00 H new ATOM 1387 N VAL A 90 -9.972 -6.782 2.897 1.00 1.00 N ATOM 1388 CA VAL A 90 -11.092 -7.551 3.503 1.00 1.00 C ATOM 1389 C VAL A 90 -12.171 -6.590 4.017 1.00 1.00 C ATOM 1390 O VAL A 90 -11.879 -5.466 4.423 1.00 1.00 O ATOM 1391 CB VAL A 90 -10.563 -8.510 4.668 1.00 1.00 C ATOM 1392 CG1 VAL A 90 -9.031 -8.685 4.582 1.00 1.00 C ATOM 1393 CG2 VAL A 90 -10.927 -8.007 6.098 1.00 1.00 C ATOM 0 H VAL A 90 -9.378 -6.309 3.578 1.00 1.00 H new ATOM 0 HA VAL A 90 -11.536 -8.186 2.736 1.00 1.00 H new ATOM 0 HB VAL A 90 -11.067 -9.464 4.511 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -8.694 -9.341 5.384 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -8.768 -9.124 3.620 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -8.548 -7.713 4.681 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -10.538 -8.705 6.839 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -10.488 -7.023 6.260 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -12.011 -7.941 6.196 1.00 1.00 H new