USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 586 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 30 ASN : amide:sc= -5.09! K(o=-5.1!,f=-0.41) USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 34:sc= 0.666 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 14:sc= 0.653! USER MOD Single : A 9 ASN : amide:sc= -0.354 K(o=-0.35,f=-2.8!) USER MOD Single : A 12 LYS NZ :NH3+ 155:sc= -0.117 (180deg=-0.545) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0598 K(o=-0.06,f=-1.3) USER MOD Single : A 17 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.34) USER MOD Single : A 19 LYS NZ :NH3+ 153:sc= -0.169 (180deg=-0.785) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 153:sc= 0.0107 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 81:sc= -3.16! USER MOD Single : A 50 MET CE :methyl -124:sc= -1.34 (180deg=-4.38!) USER MOD Single : A 52 SER OG : rot 46:sc= 0.229 USER MOD Single : A 56 MET CE :methyl 164:sc= -0.0162 (180deg=-0.672) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.152 K(o=-0.15,f=-4.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00668 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= -0.268 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.110 -4.603 20.639 1.00 0.00 N ATOM 2 CA GLY A 1 15.898 -5.781 21.459 1.00 0.00 C ATOM 3 C GLY A 1 15.901 -7.061 20.647 1.00 0.00 C ATOM 4 O GLY A 1 16.763 -7.259 19.791 1.00 0.00 O ATOM 0 H1 GLY A 1 16.099 -3.755 21.241 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.030 -4.675 20.159 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.353 -4.533 19.929 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.677 -5.835 22.220 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.947 -5.689 21.983 1.00 0.00 H new ATOM 8 N SER A 2 14.936 -7.934 20.918 1.00 0.00 N ATOM 9 CA SER A 2 14.834 -9.205 20.210 1.00 0.00 C ATOM 10 C SER A 2 13.423 -9.775 20.318 1.00 0.00 C ATOM 11 O SER A 2 12.757 -9.624 21.342 1.00 0.00 O ATOM 12 CB SER A 2 15.845 -10.207 20.769 1.00 0.00 C ATOM 13 OG SER A 2 17.098 -10.086 20.117 1.00 0.00 O ATOM 0 H SER A 2 14.214 -7.785 21.623 1.00 0.00 H new ATOM 0 HA SER A 2 15.055 -9.025 19.158 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.971 -10.042 21.839 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.464 -11.221 20.645 1.00 0.00 H new ATOM 0 HG SER A 2 17.251 -9.149 19.874 1.00 0.00 H new ATOM 19 N SER A 3 12.974 -10.431 19.252 1.00 0.00 N ATOM 20 CA SER A 3 11.641 -11.021 19.224 1.00 0.00 C ATOM 21 C SER A 3 11.721 -12.544 19.190 1.00 0.00 C ATOM 22 O SER A 3 12.500 -13.119 18.430 1.00 0.00 O ATOM 23 CB SER A 3 10.860 -10.513 18.011 1.00 0.00 C ATOM 24 OG SER A 3 9.511 -10.943 18.055 1.00 0.00 O ATOM 0 H SER A 3 13.514 -10.567 18.397 1.00 0.00 H new ATOM 0 HA SER A 3 11.120 -10.722 20.134 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.897 -9.424 17.981 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.330 -10.873 17.096 1.00 0.00 H new ATOM 0 HG SER A 3 9.034 -10.603 17.269 1.00 0.00 H new ATOM 30 N GLY A 4 10.910 -13.193 20.021 1.00 0.00 N ATOM 31 CA GLY A 4 10.905 -14.643 20.071 1.00 0.00 C ATOM 32 C GLY A 4 9.693 -15.242 19.386 1.00 0.00 C ATOM 33 O GLY A 4 8.674 -14.573 19.214 1.00 0.00 O ATOM 0 H GLY A 4 10.257 -12.740 20.660 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.811 -15.023 19.598 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.928 -14.968 21.111 1.00 0.00 H new ATOM 37 N SER A 5 9.802 -16.508 18.993 1.00 0.00 N ATOM 38 CA SER A 5 8.707 -17.195 18.318 1.00 0.00 C ATOM 39 C SER A 5 8.481 -18.579 18.921 1.00 0.00 C ATOM 40 O SER A 5 9.433 -19.294 19.234 1.00 0.00 O ATOM 41 CB SER A 5 9.001 -17.320 16.822 1.00 0.00 C ATOM 42 OG SER A 5 8.791 -16.087 16.156 1.00 0.00 O ATOM 0 H SER A 5 10.637 -17.078 19.130 1.00 0.00 H new ATOM 0 HA SER A 5 7.801 -16.605 18.455 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.031 -17.644 16.677 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.361 -18.086 16.385 1.00 0.00 H new ATOM 0 HG SER A 5 8.987 -16.193 15.202 1.00 0.00 H new ATOM 48 N SER A 6 7.215 -18.948 19.080 1.00 0.00 N ATOM 49 CA SER A 6 6.862 -20.244 19.649 1.00 0.00 C ATOM 50 C SER A 6 5.730 -20.894 18.859 1.00 0.00 C ATOM 51 O SER A 6 4.640 -20.336 18.740 1.00 0.00 O ATOM 52 CB SER A 6 6.451 -20.086 21.114 1.00 0.00 C ATOM 53 OG SER A 6 5.162 -19.509 21.223 1.00 0.00 O ATOM 0 H SER A 6 6.416 -18.368 18.823 1.00 0.00 H new ATOM 0 HA SER A 6 7.739 -20.889 19.592 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.460 -21.059 21.604 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.178 -19.461 21.633 1.00 0.00 H new ATOM 0 HG SER A 6 4.715 -19.540 20.351 1.00 0.00 H new ATOM 59 N GLY A 7 5.999 -22.079 18.319 1.00 0.00 N ATOM 60 CA GLY A 7 4.994 -22.787 17.546 1.00 0.00 C ATOM 61 C GLY A 7 5.572 -23.962 16.783 1.00 0.00 C ATOM 62 O GLY A 7 6.786 -24.170 16.774 1.00 0.00 O ATOM 0 H GLY A 7 6.894 -22.561 18.403 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.209 -23.142 18.214 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.527 -22.096 16.844 1.00 0.00 H new ATOM 66 N LEU A 8 4.702 -24.734 16.142 1.00 0.00 N ATOM 67 CA LEU A 8 5.132 -25.897 15.373 1.00 0.00 C ATOM 68 C LEU A 8 5.761 -25.472 14.050 1.00 0.00 C ATOM 69 O LEU A 8 5.772 -24.291 13.708 1.00 0.00 O ATOM 70 CB LEU A 8 3.946 -26.828 15.112 1.00 0.00 C ATOM 71 CG LEU A 8 3.163 -27.279 16.345 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.726 -27.610 15.973 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.837 -28.479 16.995 1.00 0.00 C ATOM 0 H LEU A 8 3.694 -24.576 16.139 1.00 0.00 H new ATOM 0 HA LEU A 8 5.883 -26.431 15.956 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.257 -26.325 14.433 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.313 -27.715 14.595 1.00 0.00 H new ATOM 0 HG LEU A 8 3.151 -26.460 17.064 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.184 -27.929 16.863 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.246 -26.726 15.553 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.717 -28.413 15.235 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.266 -28.787 17.871 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.880 -29.303 16.282 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.849 -28.208 17.298 1.00 0.00 H new ATOM 85 N ASN A 9 6.283 -26.445 13.310 1.00 0.00 N ATOM 86 CA ASN A 9 6.913 -26.172 12.023 1.00 0.00 C ATOM 87 C ASN A 9 5.957 -25.425 11.097 1.00 0.00 C ATOM 88 O ASN A 9 6.321 -24.413 10.498 1.00 0.00 O ATOM 89 CB ASN A 9 7.362 -27.478 11.364 1.00 0.00 C ATOM 90 CG ASN A 9 8.275 -28.293 12.260 1.00 0.00 C ATOM 91 OD1 ASN A 9 8.553 -27.908 13.396 1.00 0.00 O ATOM 92 ND2 ASN A 9 8.745 -29.426 11.752 1.00 0.00 N ATOM 0 H ASN A 9 6.282 -27.429 13.579 1.00 0.00 H new ATOM 0 HA ASN A 9 7.786 -25.543 12.200 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.485 -28.072 11.106 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.879 -27.252 10.431 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.363 -30.017 12.308 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.488 -29.706 10.805 1.00 0.00 H new ATOM 99 N ASP A 10 4.734 -25.932 10.986 1.00 0.00 N ATOM 100 CA ASP A 10 3.725 -25.312 10.135 1.00 0.00 C ATOM 101 C ASP A 10 2.828 -24.381 10.944 1.00 0.00 C ATOM 102 O ASP A 10 2.406 -24.716 12.052 1.00 0.00 O ATOM 103 CB ASP A 10 2.878 -26.385 9.447 1.00 0.00 C ATOM 104 CG ASP A 10 1.938 -27.084 10.409 1.00 0.00 C ATOM 105 OD1 ASP A 10 2.320 -27.269 11.584 1.00 0.00 O ATOM 106 OD2 ASP A 10 0.820 -27.446 9.987 1.00 0.00 O ATOM 0 H ASP A 10 4.418 -26.770 11.474 1.00 0.00 H new ATOM 0 HA ASP A 10 4.239 -24.723 9.376 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.299 -25.928 8.645 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.535 -27.122 8.985 1.00 0.00 H new ATOM 111 N LEU A 11 2.542 -23.210 10.386 1.00 0.00 N ATOM 112 CA LEU A 11 1.697 -22.228 11.056 1.00 0.00 C ATOM 113 C LEU A 11 0.456 -21.919 10.224 1.00 0.00 C ATOM 114 O LEU A 11 0.477 -22.023 8.997 1.00 0.00 O ATOM 115 CB LEU A 11 2.483 -20.943 11.318 1.00 0.00 C ATOM 116 CG LEU A 11 3.501 -20.999 12.457 1.00 0.00 C ATOM 117 CD1 LEU A 11 4.522 -19.880 12.317 1.00 0.00 C ATOM 118 CD2 LEU A 11 2.800 -20.917 13.805 1.00 0.00 C ATOM 0 H LEU A 11 2.883 -22.917 9.470 1.00 0.00 H new ATOM 0 HA LEU A 11 1.377 -22.651 12.008 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.007 -20.668 10.402 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.773 -20.144 11.531 1.00 0.00 H new ATOM 0 HG LEU A 11 4.027 -21.952 12.401 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.238 -19.936 13.137 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.048 -19.984 11.368 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.012 -18.917 12.346 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.541 -20.958 14.603 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.247 -19.980 13.871 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.109 -21.754 13.907 1.00 0.00 H new ATOM 130 N LYS A 12 -0.622 -21.536 10.898 1.00 0.00 N ATOM 131 CA LYS A 12 -1.871 -21.207 10.222 1.00 0.00 C ATOM 132 C LYS A 12 -2.269 -19.758 10.487 1.00 0.00 C ATOM 133 O LYS A 12 -2.372 -19.335 11.638 1.00 0.00 O ATOM 134 CB LYS A 12 -2.988 -22.146 10.684 1.00 0.00 C ATOM 135 CG LYS A 12 -2.693 -23.614 10.428 1.00 0.00 C ATOM 136 CD LYS A 12 -3.844 -24.500 10.872 1.00 0.00 C ATOM 137 CE LYS A 12 -4.846 -24.717 9.749 1.00 0.00 C ATOM 138 NZ LYS A 12 -4.251 -25.476 8.614 1.00 0.00 N ATOM 0 H LYS A 12 -0.656 -21.446 11.913 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.718 -21.333 9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.157 -21.999 11.751 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.913 -21.876 10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.503 -23.768 9.366 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.786 -23.902 10.959 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.456 -25.462 11.206 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.346 -24.045 11.726 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.711 -25.257 10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.206 -23.752 9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.005 -25.964 8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.756 -24.818 7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.576 -26.177 8.981 1.00 0.00 H new ATOM 152 N GLU A 13 -2.492 -19.005 9.415 1.00 0.00 N ATOM 153 CA GLU A 13 -2.879 -17.604 9.534 1.00 0.00 C ATOM 154 C GLU A 13 -3.931 -17.239 8.491 1.00 0.00 C ATOM 155 O GLU A 13 -3.683 -17.324 7.288 1.00 0.00 O ATOM 156 CB GLU A 13 -1.655 -16.699 9.379 1.00 0.00 C ATOM 157 CG GLU A 13 -1.870 -15.289 9.903 1.00 0.00 C ATOM 158 CD GLU A 13 -2.411 -14.348 8.844 1.00 0.00 C ATOM 159 OE1 GLU A 13 -3.338 -14.751 8.111 1.00 0.00 O ATOM 160 OE2 GLU A 13 -1.907 -13.210 8.748 1.00 0.00 O ATOM 0 H GLU A 13 -2.412 -19.341 8.455 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.309 -17.455 10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.813 -17.148 9.905 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.382 -16.648 8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.563 -15.320 10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.926 -14.899 10.282 1.00 0.00 H new ATOM 167 N SER A 14 -5.107 -16.835 8.960 1.00 0.00 N ATOM 168 CA SER A 14 -6.199 -16.462 8.069 1.00 0.00 C ATOM 169 C SER A 14 -7.022 -15.323 8.665 1.00 0.00 C ATOM 170 O SER A 14 -7.788 -15.524 9.607 1.00 0.00 O ATOM 171 CB SER A 14 -7.099 -17.669 7.797 1.00 0.00 C ATOM 172 OG SER A 14 -6.406 -18.667 7.068 1.00 0.00 O ATOM 0 H SER A 14 -5.328 -16.758 9.953 1.00 0.00 H new ATOM 0 HA SER A 14 -5.767 -16.121 7.128 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.453 -18.083 8.741 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.980 -17.352 7.239 1.00 0.00 H new ATOM 0 HG SER A 14 -7.002 -19.428 6.908 1.00 0.00 H new ATOM 178 N SER A 15 -6.857 -14.128 8.107 1.00 0.00 N ATOM 179 CA SER A 15 -7.581 -12.956 8.585 1.00 0.00 C ATOM 180 C SER A 15 -8.126 -12.140 7.416 1.00 0.00 C ATOM 181 O SER A 15 -7.518 -12.083 6.348 1.00 0.00 O ATOM 182 CB SER A 15 -6.668 -12.083 9.448 1.00 0.00 C ATOM 183 OG SER A 15 -7.402 -11.051 10.085 1.00 0.00 O ATOM 0 H SER A 15 -6.229 -13.946 7.324 1.00 0.00 H new ATOM 0 HA SER A 15 -8.421 -13.300 9.189 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.174 -12.699 10.199 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.884 -11.647 8.828 1.00 0.00 H new ATOM 0 HG SER A 15 -6.796 -10.508 10.632 1.00 0.00 H new ATOM 189 N ASN A 16 -9.278 -11.512 7.627 1.00 0.00 N ATOM 190 CA ASN A 16 -9.906 -10.700 6.592 1.00 0.00 C ATOM 191 C ASN A 16 -9.171 -9.374 6.418 1.00 0.00 C ATOM 192 O ASN A 16 -9.466 -8.395 7.101 1.00 0.00 O ATOM 193 CB ASN A 16 -11.374 -10.439 6.940 1.00 0.00 C ATOM 194 CG ASN A 16 -12.146 -11.721 7.183 1.00 0.00 C ATOM 195 OD1 ASN A 16 -11.679 -12.812 6.856 1.00 0.00 O ATOM 196 ND2 ASN A 16 -13.336 -11.594 7.760 1.00 0.00 N ATOM 0 H ASN A 16 -9.795 -11.550 8.505 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.853 -11.250 5.653 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.428 -9.811 7.829 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.844 -9.883 6.129 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -13.902 -12.421 7.949 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -13.683 -10.669 8.014 1.00 0.00 H new ATOM 203 N ASN A 17 -8.211 -9.353 5.498 1.00 0.00 N ATOM 204 CA ASN A 17 -7.433 -8.148 5.234 1.00 0.00 C ATOM 205 C ASN A 17 -7.478 -7.785 3.753 1.00 0.00 C ATOM 206 O ASN A 17 -7.736 -8.637 2.902 1.00 0.00 O ATOM 207 CB ASN A 17 -5.982 -8.346 5.678 1.00 0.00 C ATOM 208 CG ASN A 17 -5.450 -9.720 5.320 1.00 0.00 C ATOM 209 OD1 ASN A 17 -5.211 -10.553 6.195 1.00 0.00 O ATOM 210 ND2 ASN A 17 -5.261 -9.963 4.028 1.00 0.00 N ATOM 0 H ASN A 17 -7.954 -10.156 4.924 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.872 -7.329 5.804 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.356 -7.585 5.213 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.912 -8.202 6.756 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.904 -10.870 3.726 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.473 -9.243 3.337 1.00 0.00 H new ATOM 217 N ARG A 18 -7.225 -6.516 3.453 1.00 0.00 N ATOM 218 CA ARG A 18 -7.237 -6.040 2.075 1.00 0.00 C ATOM 219 C ARG A 18 -5.823 -5.995 1.502 1.00 0.00 C ATOM 220 O ARG A 18 -4.842 -5.954 2.245 1.00 0.00 O ATOM 221 CB ARG A 18 -7.873 -4.651 1.998 1.00 0.00 C ATOM 222 CG ARG A 18 -9.378 -4.681 1.785 1.00 0.00 C ATOM 223 CD ARG A 18 -9.858 -3.455 1.024 1.00 0.00 C ATOM 224 NE ARG A 18 -11.271 -3.177 1.268 1.00 0.00 N ATOM 225 CZ ARG A 18 -12.260 -3.917 0.781 1.00 0.00 C ATOM 226 NH1 ARG A 18 -11.993 -4.975 0.028 1.00 0.00 N ATOM 227 NH2 ARG A 18 -13.521 -3.600 1.048 1.00 0.00 N ATOM 0 H ARG A 18 -7.009 -5.799 4.145 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.829 -6.737 1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.656 -4.110 2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.410 -4.093 1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.651 -5.582 1.235 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.882 -4.732 2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.263 -2.590 1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.697 -3.605 -0.044 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.511 -2.370 1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.025 -5.223 -0.179 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.755 -5.541 -0.344 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.731 -2.787 1.628 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.280 -4.169 0.673 1.00 0.00 H new ATOM 241 N LYS A 19 -5.726 -6.006 0.177 1.00 0.00 N ATOM 242 CA LYS A 19 -4.434 -5.966 -0.497 1.00 0.00 C ATOM 243 C LYS A 19 -4.396 -4.850 -1.536 1.00 0.00 C ATOM 244 O LYS A 19 -5.375 -4.614 -2.243 1.00 0.00 O ATOM 245 CB LYS A 19 -4.143 -7.311 -1.166 1.00 0.00 C ATOM 246 CG LYS A 19 -3.907 -8.442 -0.181 1.00 0.00 C ATOM 247 CD LYS A 19 -2.439 -8.559 0.192 1.00 0.00 C ATOM 248 CE LYS A 19 -2.062 -9.993 0.533 1.00 0.00 C ATOM 249 NZ LYS A 19 -2.245 -10.906 -0.629 1.00 0.00 N ATOM 0 H LYS A 19 -6.528 -6.042 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.668 -5.766 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.979 -7.573 -1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.266 -7.207 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.499 -8.272 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.249 -9.381 -0.615 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.823 -8.207 -0.636 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.227 -7.914 1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.023 -10.027 0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.672 -10.340 1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.593 -11.711 -0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.225 -11.254 -0.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.045 -10.391 -1.510 1.00 0.00 H new ATOM 263 N ALA A 20 -3.259 -4.167 -1.623 1.00 0.00 N ATOM 264 CA ALA A 20 -3.093 -3.079 -2.578 1.00 0.00 C ATOM 265 C ALA A 20 -1.648 -2.985 -3.057 1.00 0.00 C ATOM 266 O ALA A 20 -0.722 -3.376 -2.347 1.00 0.00 O ATOM 267 CB ALA A 20 -3.532 -1.761 -1.958 1.00 0.00 C ATOM 0 H ALA A 20 -2.439 -4.348 -1.043 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.722 -3.288 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.402 -0.957 -2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.582 -1.826 -1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.927 -1.555 -1.075 1.00 0.00 H new ATOM 273 N ARG A 21 -1.463 -2.464 -4.266 1.00 0.00 N ATOM 274 CA ARG A 21 -0.131 -2.320 -4.840 1.00 0.00 C ATOM 275 C ARG A 21 0.378 -0.891 -4.682 1.00 0.00 C ATOM 276 O ARG A 21 -0.331 0.069 -4.985 1.00 0.00 O ATOM 277 CB ARG A 21 -0.147 -2.707 -6.321 1.00 0.00 C ATOM 278 CG ARG A 21 1.109 -2.293 -7.071 1.00 0.00 C ATOM 279 CD ARG A 21 0.878 -2.272 -8.574 1.00 0.00 C ATOM 280 NE ARG A 21 0.318 -3.531 -9.059 1.00 0.00 N ATOM 281 CZ ARG A 21 -0.083 -3.723 -10.311 1.00 0.00 C ATOM 282 NH1 ARG A 21 0.014 -2.743 -11.199 1.00 0.00 N ATOM 283 NH2 ARG A 21 -0.582 -4.897 -10.677 1.00 0.00 N ATOM 0 H ARG A 21 -2.219 -2.135 -4.866 1.00 0.00 H new ATOM 0 HA ARG A 21 0.543 -2.988 -4.304 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.271 -3.787 -6.405 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.013 -2.249 -6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.425 -1.305 -6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.919 -2.983 -6.836 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.203 -1.454 -8.826 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.821 -2.075 -9.083 1.00 0.00 H new ATOM 0 HE ARG A 21 0.230 -4.305 -8.400 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.397 -1.839 -10.921 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.295 -2.893 -12.160 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.658 -5.653 -9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.890 -5.043 -11.639 1.00 0.00 H new ATOM 297 N VAL A 22 1.612 -0.757 -4.206 1.00 0.00 N ATOM 298 CA VAL A 22 2.217 0.555 -4.007 1.00 0.00 C ATOM 299 C VAL A 22 2.571 1.204 -5.341 1.00 0.00 C ATOM 300 O VAL A 22 3.074 0.544 -6.251 1.00 0.00 O ATOM 301 CB VAL A 22 3.486 0.462 -3.140 1.00 0.00 C ATOM 302 CG1 VAL A 22 4.185 1.811 -3.071 1.00 0.00 C ATOM 303 CG2 VAL A 22 3.144 -0.043 -1.747 1.00 0.00 C ATOM 0 H VAL A 22 2.212 -1.541 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 22 1.479 1.170 -3.492 1.00 0.00 H new ATOM 0 HB VAL A 22 4.169 -0.251 -3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.080 1.726 -2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.466 2.127 -4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.511 2.548 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.053 -0.102 -1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.442 0.643 -1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.692 -1.032 -1.819 1.00 0.00 H new ATOM 313 N LEU A 23 2.306 2.501 -5.450 1.00 0.00 N ATOM 314 CA LEU A 23 2.597 3.241 -6.673 1.00 0.00 C ATOM 315 C LEU A 23 3.947 3.944 -6.575 1.00 0.00 C ATOM 316 O LEU A 23 4.621 4.159 -7.583 1.00 0.00 O ATOM 317 CB LEU A 23 1.494 4.265 -6.947 1.00 0.00 C ATOM 318 CG LEU A 23 0.059 3.773 -6.758 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.931 4.887 -7.058 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.211 2.564 -7.642 1.00 0.00 C ATOM 0 H LEU A 23 1.890 3.062 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 23 2.637 2.530 -7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.652 5.123 -6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.603 4.621 -7.971 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.068 3.473 -5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.947 4.518 -6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.753 5.724 -6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.804 5.219 -8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.237 2.227 -7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.066 2.838 -8.687 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.476 1.760 -7.379 1.00 0.00 H new ATOM 332 N TYR A 24 4.336 4.299 -5.356 1.00 0.00 N ATOM 333 CA TYR A 24 5.606 4.978 -5.126 1.00 0.00 C ATOM 334 C TYR A 24 6.162 4.642 -3.746 1.00 0.00 C ATOM 335 O TYR A 24 5.416 4.542 -2.771 1.00 0.00 O ATOM 336 CB TYR A 24 5.431 6.491 -5.263 1.00 0.00 C ATOM 337 CG TYR A 24 4.416 6.891 -6.310 1.00 0.00 C ATOM 338 CD1 TYR A 24 3.062 6.960 -6.003 1.00 0.00 C ATOM 339 CD2 TYR A 24 4.811 7.201 -7.605 1.00 0.00 C ATOM 340 CE1 TYR A 24 2.132 7.324 -6.957 1.00 0.00 C ATOM 341 CE2 TYR A 24 3.887 7.568 -8.565 1.00 0.00 C ATOM 342 CZ TYR A 24 2.549 7.627 -8.236 1.00 0.00 C ATOM 343 OH TYR A 24 1.625 7.992 -9.188 1.00 0.00 O ATOM 0 H TYR A 24 3.790 4.128 -4.511 1.00 0.00 H new ATOM 0 HA TYR A 24 6.315 4.631 -5.877 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.128 6.902 -4.300 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.393 6.938 -5.512 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.732 6.725 -5.002 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.858 7.154 -7.866 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.083 7.371 -6.703 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.211 7.807 -9.567 1.00 0.00 H new ATOM 0 HH TYR A 24 2.083 8.174 -10.035 1.00 0.00 H new ATOM 353 N ASP A 25 7.477 4.468 -3.671 1.00 0.00 N ATOM 354 CA ASP A 25 8.135 4.145 -2.410 1.00 0.00 C ATOM 355 C ASP A 25 7.997 5.293 -1.415 1.00 0.00 C ATOM 356 O ASP A 25 8.455 6.407 -1.671 1.00 0.00 O ATOM 357 CB ASP A 25 9.614 3.833 -2.648 1.00 0.00 C ATOM 358 CG ASP A 25 10.243 4.759 -3.670 1.00 0.00 C ATOM 359 OD1 ASP A 25 10.190 4.436 -4.875 1.00 0.00 O ATOM 360 OD2 ASP A 25 10.790 5.806 -3.265 1.00 0.00 O ATOM 0 H ASP A 25 8.108 4.545 -4.468 1.00 0.00 H new ATOM 0 HA ASP A 25 7.649 3.265 -1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.156 3.915 -1.706 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.715 2.802 -2.986 1.00 0.00 H new ATOM 365 N TYR A 26 7.364 5.013 -0.282 1.00 0.00 N ATOM 366 CA TYR A 26 7.163 6.024 0.750 1.00 0.00 C ATOM 367 C TYR A 26 8.124 5.810 1.916 1.00 0.00 C ATOM 368 O TYR A 26 8.373 4.678 2.331 1.00 0.00 O ATOM 369 CB TYR A 26 5.719 5.989 1.253 1.00 0.00 C ATOM 370 CG TYR A 26 5.436 6.988 2.352 1.00 0.00 C ATOM 371 CD1 TYR A 26 5.462 8.354 2.101 1.00 0.00 C ATOM 372 CD2 TYR A 26 5.141 6.565 3.643 1.00 0.00 C ATOM 373 CE1 TYR A 26 5.205 9.270 3.102 1.00 0.00 C ATOM 374 CE2 TYR A 26 4.882 7.474 4.650 1.00 0.00 C ATOM 375 CZ TYR A 26 4.915 8.825 4.375 1.00 0.00 C ATOM 376 OH TYR A 26 4.657 9.734 5.376 1.00 0.00 O ATOM 0 H TYR A 26 6.981 4.095 -0.054 1.00 0.00 H new ATOM 0 HA TYR A 26 7.364 7.001 0.310 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.047 6.182 0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.494 4.987 1.618 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.687 8.706 1.105 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.114 5.508 3.862 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.231 10.329 2.889 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.655 7.129 5.648 1.00 0.00 H new ATOM 0 HH TYR A 26 4.074 9.323 6.048 1.00 0.00 H new ATOM 386 N ASP A 27 8.660 6.907 2.440 1.00 0.00 N ATOM 387 CA ASP A 27 9.593 6.842 3.559 1.00 0.00 C ATOM 388 C ASP A 27 8.912 7.261 4.859 1.00 0.00 C ATOM 389 O ASP A 27 8.696 8.447 5.104 1.00 0.00 O ATOM 390 CB ASP A 27 10.805 7.736 3.293 1.00 0.00 C ATOM 391 CG ASP A 27 10.410 9.117 2.808 1.00 0.00 C ATOM 392 OD1 ASP A 27 10.237 9.289 1.583 1.00 0.00 O ATOM 393 OD2 ASP A 27 10.274 10.026 3.654 1.00 0.00 O ATOM 0 H ASP A 27 8.465 7.851 2.108 1.00 0.00 H new ATOM 0 HA ASP A 27 9.928 5.810 3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.392 7.829 4.207 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.446 7.262 2.549 1.00 0.00 H new ATOM 398 N ALA A 28 8.576 6.278 5.688 1.00 0.00 N ATOM 399 CA ALA A 28 7.920 6.544 6.962 1.00 0.00 C ATOM 400 C ALA A 28 8.624 7.667 7.717 1.00 0.00 C ATOM 401 O ALA A 28 9.841 7.638 7.899 1.00 0.00 O ATOM 402 CB ALA A 28 7.880 5.281 7.809 1.00 0.00 C ATOM 0 H ALA A 28 8.747 5.290 5.500 1.00 0.00 H new ATOM 0 HA ALA A 28 6.898 6.863 6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.387 5.495 8.758 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.327 4.505 7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.897 4.937 7.998 1.00 0.00 H new ATOM 408 N ALA A 29 7.850 8.655 8.155 1.00 0.00 N ATOM 409 CA ALA A 29 8.400 9.787 8.891 1.00 0.00 C ATOM 410 C ALA A 29 8.555 9.455 10.371 1.00 0.00 C ATOM 411 O ALA A 29 9.401 10.024 11.059 1.00 0.00 O ATOM 412 CB ALA A 29 7.515 11.012 8.713 1.00 0.00 C ATOM 0 H ALA A 29 6.841 8.694 8.013 1.00 0.00 H new ATOM 0 HA ALA A 29 9.389 10.005 8.488 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.937 11.850 9.268 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.458 11.269 7.655 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.515 10.796 9.088 1.00 0.00 H new ATOM 418 N ASN A 30 7.732 8.531 10.856 1.00 0.00 N ATOM 419 CA ASN A 30 7.777 8.124 12.255 1.00 0.00 C ATOM 420 C ASN A 30 7.385 6.658 12.409 1.00 0.00 C ATOM 421 O ASN A 30 6.824 6.055 11.494 1.00 0.00 O ATOM 422 CB ASN A 30 6.847 9.003 13.094 1.00 0.00 C ATOM 423 CG ASN A 30 5.653 9.501 12.303 1.00 0.00 C ATOM 424 OD1 ASN A 30 5.330 10.689 12.327 1.00 0.00 O ATOM 425 ND2 ASN A 30 4.991 8.592 11.596 1.00 0.00 N ATOM 0 H ASN A 30 7.025 8.050 10.300 1.00 0.00 H new ATOM 0 HA ASN A 30 8.800 8.247 12.610 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.497 8.437 13.957 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.406 9.856 13.478 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.179 8.868 11.043 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.294 7.618 11.606 1.00 0.00 H new ATOM 432 N SER A 31 7.683 6.090 13.574 1.00 0.00 N ATOM 433 CA SER A 31 7.364 4.694 13.847 1.00 0.00 C ATOM 434 C SER A 31 5.940 4.366 13.408 1.00 0.00 C ATOM 435 O SER A 31 5.722 3.493 12.568 1.00 0.00 O ATOM 436 CB SER A 31 7.533 4.392 15.337 1.00 0.00 C ATOM 437 OG SER A 31 8.850 4.685 15.771 1.00 0.00 O ATOM 0 H SER A 31 8.145 6.575 14.343 1.00 0.00 H new ATOM 0 HA SER A 31 8.054 4.071 13.277 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.818 4.979 15.914 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.310 3.342 15.526 1.00 0.00 H new ATOM 0 HG SER A 31 8.932 4.485 16.727 1.00 0.00 H new ATOM 443 N THR A 32 4.972 5.072 13.985 1.00 0.00 N ATOM 444 CA THR A 32 3.569 4.857 13.656 1.00 0.00 C ATOM 445 C THR A 32 3.385 4.620 12.161 1.00 0.00 C ATOM 446 O THR A 32 2.506 3.865 11.747 1.00 0.00 O ATOM 447 CB THR A 32 2.701 6.054 14.085 1.00 0.00 C ATOM 448 OG1 THR A 32 3.334 7.280 13.702 1.00 0.00 O ATOM 449 CG2 THR A 32 2.472 6.045 15.589 1.00 0.00 C ATOM 0 H THR A 32 5.135 5.798 14.683 1.00 0.00 H new ATOM 0 HA THR A 32 3.248 3.971 14.204 1.00 0.00 H new ATOM 0 HB THR A 32 1.736 5.972 13.586 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.775 8.037 13.977 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.856 6.900 15.868 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.964 5.124 15.874 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.431 6.105 16.103 1.00 0.00 H new ATOM 457 N GLU A 33 4.220 5.270 11.356 1.00 0.00 N ATOM 458 CA GLU A 33 4.147 5.129 9.907 1.00 0.00 C ATOM 459 C GLU A 33 5.082 4.026 9.420 1.00 0.00 C ATOM 460 O GLU A 33 6.092 3.725 10.058 1.00 0.00 O ATOM 461 CB GLU A 33 4.503 6.452 9.225 1.00 0.00 C ATOM 462 CG GLU A 33 3.392 7.486 9.285 1.00 0.00 C ATOM 463 CD GLU A 33 3.834 8.847 8.785 1.00 0.00 C ATOM 464 OE1 GLU A 33 4.995 9.227 9.047 1.00 0.00 O ATOM 465 OE2 GLU A 33 3.020 9.533 8.132 1.00 0.00 O ATOM 0 H GLU A 33 4.954 5.899 11.683 1.00 0.00 H new ATOM 0 HA GLU A 33 3.124 4.857 9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.397 6.864 9.694 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.751 6.258 8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.547 7.141 8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.041 7.577 10.313 1.00 0.00 H new ATOM 472 N LEU A 34 4.739 3.425 8.286 1.00 0.00 N ATOM 473 CA LEU A 34 5.546 2.354 7.712 1.00 0.00 C ATOM 474 C LEU A 34 6.082 2.751 6.341 1.00 0.00 C ATOM 475 O LEU A 34 5.435 3.493 5.601 1.00 0.00 O ATOM 476 CB LEU A 34 4.720 1.071 7.598 1.00 0.00 C ATOM 477 CG LEU A 34 4.806 0.110 8.784 1.00 0.00 C ATOM 478 CD1 LEU A 34 3.957 -1.126 8.532 1.00 0.00 C ATOM 479 CD2 LEU A 34 6.252 -0.280 9.052 1.00 0.00 C ATOM 0 H LEU A 34 3.907 3.661 7.745 1.00 0.00 H new ATOM 0 HA LEU A 34 6.393 2.176 8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.675 1.347 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.035 0.538 6.701 1.00 0.00 H new ATOM 0 HG LEU A 34 4.419 0.618 9.667 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.031 -1.798 9.387 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.917 -0.831 8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.314 -1.636 7.637 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.293 -0.964 9.899 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.666 -0.769 8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.834 0.613 9.278 1.00 0.00 H new ATOM 491 N SER A 35 7.267 2.250 6.006 1.00 0.00 N ATOM 492 CA SER A 35 7.891 2.554 4.724 1.00 0.00 C ATOM 493 C SER A 35 7.303 1.687 3.615 1.00 0.00 C ATOM 494 O SER A 35 7.064 0.494 3.804 1.00 0.00 O ATOM 495 CB SER A 35 9.404 2.340 4.806 1.00 0.00 C ATOM 496 OG SER A 35 9.729 0.962 4.729 1.00 0.00 O ATOM 0 H SER A 35 7.814 1.632 6.605 1.00 0.00 H new ATOM 0 HA SER A 35 7.691 3.599 4.489 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.895 2.879 3.996 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.783 2.755 5.740 1.00 0.00 H new ATOM 0 HG SER A 35 10.701 0.852 4.782 1.00 0.00 H new ATOM 502 N LEU A 36 7.071 2.296 2.457 1.00 0.00 N ATOM 503 CA LEU A 36 6.510 1.582 1.316 1.00 0.00 C ATOM 504 C LEU A 36 7.483 1.583 0.141 1.00 0.00 C ATOM 505 O LEU A 36 8.266 2.519 -0.030 1.00 0.00 O ATOM 506 CB LEU A 36 5.183 2.216 0.894 1.00 0.00 C ATOM 507 CG LEU A 36 4.152 2.418 2.006 1.00 0.00 C ATOM 508 CD1 LEU A 36 2.807 2.817 1.421 1.00 0.00 C ATOM 509 CD2 LEU A 36 4.018 1.155 2.844 1.00 0.00 C ATOM 0 H LEU A 36 7.263 3.283 2.284 1.00 0.00 H new ATOM 0 HA LEU A 36 6.333 0.549 1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.394 3.185 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.735 1.593 0.120 1.00 0.00 H new ATOM 0 HG LEU A 36 4.497 3.225 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.087 2.956 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.914 3.748 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.455 2.033 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.281 1.317 3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.697 0.329 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.981 0.913 3.294 1.00 0.00 H new ATOM 521 N LEU A 37 7.427 0.531 -0.668 1.00 0.00 N ATOM 522 CA LEU A 37 8.302 0.411 -1.829 1.00 0.00 C ATOM 523 C LEU A 37 7.494 0.423 -3.123 1.00 0.00 C ATOM 524 O LEU A 37 6.321 0.051 -3.137 1.00 0.00 O ATOM 525 CB LEU A 37 9.126 -0.874 -1.741 1.00 0.00 C ATOM 526 CG LEU A 37 10.346 -0.828 -0.820 1.00 0.00 C ATOM 527 CD1 LEU A 37 10.854 -2.233 -0.536 1.00 0.00 C ATOM 528 CD2 LEU A 37 11.446 0.025 -1.434 1.00 0.00 C ATOM 0 H LEU A 37 6.785 -0.251 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 37 8.976 1.267 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.472 -1.679 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.463 -1.135 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 37 10.047 -0.374 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.722 -2.180 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.068 -2.813 -0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.136 -2.714 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.306 0.046 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.743 -0.399 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.078 1.040 -1.585 1.00 0.00 H new ATOM 540 N ALA A 38 8.131 0.851 -4.208 1.00 0.00 N ATOM 541 CA ALA A 38 7.473 0.907 -5.507 1.00 0.00 C ATOM 542 C ALA A 38 7.313 -0.488 -6.102 1.00 0.00 C ATOM 543 O ALA A 38 8.272 -1.256 -6.175 1.00 0.00 O ATOM 544 CB ALA A 38 8.256 1.801 -6.457 1.00 0.00 C ATOM 0 H ALA A 38 9.102 1.164 -4.213 1.00 0.00 H new ATOM 0 HA ALA A 38 6.478 1.329 -5.365 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.753 1.834 -7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.314 2.808 -6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.262 1.403 -6.585 1.00 0.00 H new ATOM 550 N ASP A 39 6.095 -0.809 -6.526 1.00 0.00 N ATOM 551 CA ASP A 39 5.809 -2.112 -7.115 1.00 0.00 C ATOM 552 C ASP A 39 5.753 -3.194 -6.040 1.00 0.00 C ATOM 553 O ASP A 39 6.210 -4.316 -6.252 1.00 0.00 O ATOM 554 CB ASP A 39 6.870 -2.467 -8.158 1.00 0.00 C ATOM 555 CG ASP A 39 7.271 -1.275 -9.005 1.00 0.00 C ATOM 556 OD1 ASP A 39 6.383 -0.681 -9.650 1.00 0.00 O ATOM 557 OD2 ASP A 39 8.474 -0.938 -9.022 1.00 0.00 O ATOM 0 H ASP A 39 5.290 -0.185 -6.473 1.00 0.00 H new ATOM 0 HA ASP A 39 4.835 -2.058 -7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.751 -2.864 -7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.489 -3.257 -8.805 1.00 0.00 H new ATOM 562 N GLU A 40 5.191 -2.846 -4.887 1.00 0.00 N ATOM 563 CA GLU A 40 5.077 -3.787 -3.779 1.00 0.00 C ATOM 564 C GLU A 40 3.652 -3.817 -3.234 1.00 0.00 C ATOM 565 O GLU A 40 3.035 -2.773 -3.019 1.00 0.00 O ATOM 566 CB GLU A 40 6.054 -3.415 -2.662 1.00 0.00 C ATOM 567 CG GLU A 40 5.447 -2.516 -1.597 1.00 0.00 C ATOM 568 CD GLU A 40 6.334 -2.380 -0.374 1.00 0.00 C ATOM 569 OE1 GLU A 40 7.314 -3.147 -0.265 1.00 0.00 O ATOM 570 OE2 GLU A 40 6.047 -1.509 0.473 1.00 0.00 O ATOM 0 H GLU A 40 4.808 -1.920 -4.696 1.00 0.00 H new ATOM 0 HA GLU A 40 5.325 -4.780 -4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.418 -4.328 -2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.918 -2.915 -3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.265 -1.528 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.479 -2.917 -1.297 1.00 0.00 H new ATOM 577 N VAL A 41 3.134 -5.021 -3.014 1.00 0.00 N ATOM 578 CA VAL A 41 1.782 -5.188 -2.494 1.00 0.00 C ATOM 579 C VAL A 41 1.804 -5.724 -1.067 1.00 0.00 C ATOM 580 O VAL A 41 2.271 -6.836 -0.818 1.00 0.00 O ATOM 581 CB VAL A 41 0.955 -6.143 -3.376 1.00 0.00 C ATOM 582 CG1 VAL A 41 -0.318 -6.565 -2.659 1.00 0.00 C ATOM 583 CG2 VAL A 41 0.633 -5.489 -4.711 1.00 0.00 C ATOM 0 H VAL A 41 3.630 -5.895 -3.188 1.00 0.00 H new ATOM 0 HA VAL A 41 1.316 -4.203 -2.502 1.00 0.00 H new ATOM 0 HB VAL A 41 1.548 -7.037 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.889 -7.239 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.061 -7.075 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.918 -5.683 -2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.049 -6.177 -5.322 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.059 -4.578 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.560 -5.243 -5.228 1.00 0.00 H new ATOM 593 N ILE A 42 1.297 -4.926 -0.133 1.00 0.00 N ATOM 594 CA ILE A 42 1.257 -5.321 1.269 1.00 0.00 C ATOM 595 C ILE A 42 -0.180 -5.439 1.767 1.00 0.00 C ATOM 596 O ILE A 42 -1.128 -5.150 1.036 1.00 0.00 O ATOM 597 CB ILE A 42 2.016 -4.318 2.158 1.00 0.00 C ATOM 598 CG1 ILE A 42 1.414 -2.919 2.015 1.00 0.00 C ATOM 599 CG2 ILE A 42 3.494 -4.304 1.798 1.00 0.00 C ATOM 600 CD1 ILE A 42 1.727 -2.004 3.178 1.00 0.00 C ATOM 0 H ILE A 42 0.908 -4.002 -0.322 1.00 0.00 H new ATOM 0 HA ILE A 42 1.743 -6.294 1.336 1.00 0.00 H new ATOM 0 HB ILE A 42 1.918 -4.630 3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.785 -2.465 1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.332 -3.007 1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.017 -3.590 2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.914 -5.299 1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.612 -4.013 0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.268 -1.030 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.332 -2.436 4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.807 -1.886 3.268 1.00 0.00 H new ATOM 612 N THR A 43 -0.334 -5.863 3.017 1.00 0.00 N ATOM 613 CA THR A 43 -1.655 -6.018 3.614 1.00 0.00 C ATOM 614 C THR A 43 -2.140 -4.707 4.223 1.00 0.00 C ATOM 615 O THR A 43 -1.499 -4.151 5.115 1.00 0.00 O ATOM 616 CB THR A 43 -1.655 -7.108 4.702 1.00 0.00 C ATOM 617 OG1 THR A 43 -1.452 -8.394 4.106 1.00 0.00 O ATOM 618 CG2 THR A 43 -2.967 -7.102 5.473 1.00 0.00 C ATOM 0 H THR A 43 0.440 -6.105 3.636 1.00 0.00 H new ATOM 0 HA THR A 43 -2.332 -6.315 2.813 1.00 0.00 H new ATOM 0 HB THR A 43 -0.842 -6.898 5.397 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.451 -9.082 4.804 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.944 -7.880 6.236 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.105 -6.131 5.949 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.793 -7.291 4.787 1.00 0.00 H new ATOM 626 N VAL A 44 -3.277 -4.219 3.738 1.00 0.00 N ATOM 627 CA VAL A 44 -3.850 -2.975 4.237 1.00 0.00 C ATOM 628 C VAL A 44 -5.229 -3.208 4.844 1.00 0.00 C ATOM 629 O VAL A 44 -5.991 -4.052 4.372 1.00 0.00 O ATOM 630 CB VAL A 44 -3.965 -1.922 3.118 1.00 0.00 C ATOM 631 CG1 VAL A 44 -2.588 -1.556 2.586 1.00 0.00 C ATOM 632 CG2 VAL A 44 -4.861 -2.431 1.999 1.00 0.00 C ATOM 0 H VAL A 44 -3.820 -4.667 3.000 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.176 -2.603 5.009 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.418 -1.022 3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.689 -0.811 1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.982 -1.147 3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.104 -2.447 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.931 -1.675 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.439 -3.346 1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.855 -2.637 2.395 1.00 0.00 H new ATOM 642 N PHE A 45 -5.543 -2.455 5.892 1.00 0.00 N ATOM 643 CA PHE A 45 -6.831 -2.580 6.565 1.00 0.00 C ATOM 644 C PHE A 45 -7.146 -1.325 7.373 1.00 0.00 C ATOM 645 O PHE A 45 -6.267 -0.750 8.015 1.00 0.00 O ATOM 646 CB PHE A 45 -6.834 -3.805 7.481 1.00 0.00 C ATOM 647 CG PHE A 45 -5.612 -3.909 8.347 1.00 0.00 C ATOM 648 CD1 PHE A 45 -4.367 -4.146 7.786 1.00 0.00 C ATOM 649 CD2 PHE A 45 -5.707 -3.771 9.723 1.00 0.00 C ATOM 650 CE1 PHE A 45 -3.240 -4.243 8.580 1.00 0.00 C ATOM 651 CE2 PHE A 45 -4.583 -3.866 10.521 1.00 0.00 C ATOM 652 CZ PHE A 45 -3.348 -4.103 9.949 1.00 0.00 C ATOM 0 H PHE A 45 -4.924 -1.751 6.294 1.00 0.00 H new ATOM 0 HA PHE A 45 -7.601 -2.703 5.803 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.718 -3.771 8.117 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.915 -4.705 6.871 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.276 -4.256 6.715 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.670 -3.587 10.176 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.276 -4.428 8.130 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.670 -3.755 11.592 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.469 -4.179 10.572 1.00 0.00 H new ATOM 662 N SER A 46 -8.407 -0.905 7.336 1.00 0.00 N ATOM 663 CA SER A 46 -8.839 0.284 8.061 1.00 0.00 C ATOM 664 C SER A 46 -9.098 -0.039 9.529 1.00 0.00 C ATOM 665 O SER A 46 -9.580 -1.122 9.863 1.00 0.00 O ATOM 666 CB SER A 46 -10.102 0.865 7.424 1.00 0.00 C ATOM 667 OG SER A 46 -9.880 1.201 6.065 1.00 0.00 O ATOM 0 H SER A 46 -9.147 -1.371 6.811 1.00 0.00 H new ATOM 0 HA SER A 46 -8.040 1.023 8.005 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.914 0.142 7.495 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.416 1.752 7.975 1.00 0.00 H new ATOM 0 HG SER A 46 -9.950 0.394 5.513 1.00 0.00 H new ATOM 673 N VAL A 47 -8.776 0.909 10.404 1.00 0.00 N ATOM 674 CA VAL A 47 -8.974 0.727 11.836 1.00 0.00 C ATOM 675 C VAL A 47 -9.818 1.854 12.422 1.00 0.00 C ATOM 676 O VAL A 47 -9.674 3.015 12.038 1.00 0.00 O ATOM 677 CB VAL A 47 -7.630 0.664 12.586 1.00 0.00 C ATOM 678 CG1 VAL A 47 -7.851 0.315 14.050 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.698 -0.340 11.924 1.00 0.00 C ATOM 0 H VAL A 47 -8.377 1.811 10.145 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.498 -0.220 11.965 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.161 1.647 12.539 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.890 0.275 14.564 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.479 1.075 14.514 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.342 -0.656 14.123 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.753 -0.372 12.466 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.158 -1.328 11.938 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.514 -0.040 10.892 1.00 0.00 H new ATOM 689 N VAL A 48 -10.699 1.504 13.354 1.00 0.00 N ATOM 690 CA VAL A 48 -11.565 2.486 13.994 1.00 0.00 C ATOM 691 C VAL A 48 -10.828 3.800 14.227 1.00 0.00 C ATOM 692 O VAL A 48 -9.717 3.815 14.754 1.00 0.00 O ATOM 693 CB VAL A 48 -12.104 1.966 15.340 1.00 0.00 C ATOM 694 CG1 VAL A 48 -12.634 3.116 16.183 1.00 0.00 C ATOM 695 CG2 VAL A 48 -13.184 0.919 15.113 1.00 0.00 C ATOM 0 H VAL A 48 -10.831 0.547 13.682 1.00 0.00 H new ATOM 0 HA VAL A 48 -12.402 2.658 13.318 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.284 1.497 15.883 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.011 2.730 17.130 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.830 3.827 16.375 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -13.441 3.617 15.649 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.553 0.563 16.075 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -14.006 1.360 14.550 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.768 0.082 14.552 1.00 0.00 H new ATOM 705 N GLY A 49 -11.456 4.903 13.831 1.00 0.00 N ATOM 706 CA GLY A 49 -10.845 6.208 14.006 1.00 0.00 C ATOM 707 C GLY A 49 -9.874 6.547 12.893 1.00 0.00 C ATOM 708 O GLY A 49 -9.824 7.686 12.429 1.00 0.00 O ATOM 0 H GLY A 49 -12.377 4.916 13.392 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.625 6.968 14.048 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.322 6.236 14.962 1.00 0.00 H new ATOM 712 N MET A 50 -9.098 5.556 12.464 1.00 0.00 N ATOM 713 CA MET A 50 -8.123 5.756 11.399 1.00 0.00 C ATOM 714 C MET A 50 -8.657 6.724 10.348 1.00 0.00 C ATOM 715 O MET A 50 -9.859 6.773 10.089 1.00 0.00 O ATOM 716 CB MET A 50 -7.769 4.419 10.744 1.00 0.00 C ATOM 717 CG MET A 50 -6.672 4.526 9.697 1.00 0.00 C ATOM 718 SD MET A 50 -5.043 4.789 10.423 1.00 0.00 S ATOM 719 CE MET A 50 -4.213 3.275 9.949 1.00 0.00 C ATOM 0 H MET A 50 -9.126 4.607 12.838 1.00 0.00 H new ATOM 0 HA MET A 50 -7.224 6.186 11.840 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.455 3.717 11.517 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.663 4.003 10.280 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.656 3.615 9.099 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.901 5.349 9.019 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.829 2.777 10.839 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.918 2.617 9.441 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.386 3.508 9.278 1.00 0.00 H new ATOM 729 N ASP A 51 -7.756 7.493 9.746 1.00 0.00 N ATOM 730 CA ASP A 51 -8.137 8.459 8.722 1.00 0.00 C ATOM 731 C ASP A 51 -8.380 7.767 7.385 1.00 0.00 C ATOM 732 O ASP A 51 -7.783 6.731 7.093 1.00 0.00 O ATOM 733 CB ASP A 51 -7.051 9.525 8.568 1.00 0.00 C ATOM 734 CG ASP A 51 -6.270 9.745 9.848 1.00 0.00 C ATOM 735 OD1 ASP A 51 -5.369 8.931 10.142 1.00 0.00 O ATOM 736 OD2 ASP A 51 -6.558 10.733 10.556 1.00 0.00 O ATOM 0 H ASP A 51 -6.757 7.466 9.949 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.064 8.938 9.036 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.365 9.229 7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.509 10.465 8.260 1.00 0.00 H new ATOM 741 N SER A 52 -9.263 8.345 6.577 1.00 0.00 N ATOM 742 CA SER A 52 -9.589 7.781 5.272 1.00 0.00 C ATOM 743 C SER A 52 -8.391 7.857 4.332 1.00 0.00 C ATOM 744 O SER A 52 -8.329 7.147 3.328 1.00 0.00 O ATOM 745 CB SER A 52 -10.781 8.519 4.658 1.00 0.00 C ATOM 746 OG SER A 52 -10.660 9.919 4.835 1.00 0.00 O ATOM 0 H SER A 52 -9.765 9.203 6.803 1.00 0.00 H new ATOM 0 HA SER A 52 -9.852 6.733 5.412 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.847 8.288 3.595 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.705 8.170 5.118 1.00 0.00 H new ATOM 0 HG SER A 52 -9.751 10.201 4.600 1.00 0.00 H new ATOM 752 N ASP A 53 -7.440 8.723 4.665 1.00 0.00 N ATOM 753 CA ASP A 53 -6.241 8.892 3.851 1.00 0.00 C ATOM 754 C ASP A 53 -5.078 8.088 4.424 1.00 0.00 C ATOM 755 O ASP A 53 -3.920 8.318 4.075 1.00 0.00 O ATOM 756 CB ASP A 53 -5.862 10.371 3.765 1.00 0.00 C ATOM 757 CG ASP A 53 -7.048 11.255 3.432 1.00 0.00 C ATOM 758 OD1 ASP A 53 -7.962 11.362 4.275 1.00 0.00 O ATOM 759 OD2 ASP A 53 -7.062 11.837 2.327 1.00 0.00 O ATOM 0 H ASP A 53 -7.476 9.319 5.492 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.456 8.521 2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.432 10.688 4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.091 10.502 3.006 1.00 0.00 H new ATOM 764 N TRP A 54 -5.394 7.147 5.306 1.00 0.00 N ATOM 765 CA TRP A 54 -4.374 6.310 5.929 1.00 0.00 C ATOM 766 C TRP A 54 -4.949 4.953 6.321 1.00 0.00 C ATOM 767 O TRP A 54 -5.989 4.874 6.976 1.00 0.00 O ATOM 768 CB TRP A 54 -3.795 7.008 7.160 1.00 0.00 C ATOM 769 CG TRP A 54 -2.985 8.225 6.828 1.00 0.00 C ATOM 770 CD1 TRP A 54 -3.449 9.499 6.670 1.00 0.00 C ATOM 771 CD2 TRP A 54 -1.571 8.281 6.611 1.00 0.00 C ATOM 772 NE1 TRP A 54 -2.409 10.344 6.368 1.00 0.00 N ATOM 773 CE2 TRP A 54 -1.246 9.622 6.327 1.00 0.00 C ATOM 774 CE3 TRP A 54 -0.548 7.329 6.632 1.00 0.00 C ATOM 775 CZ2 TRP A 54 0.058 10.031 6.064 1.00 0.00 C ATOM 776 CZ3 TRP A 54 0.746 7.738 6.371 1.00 0.00 C ATOM 777 CH2 TRP A 54 1.041 9.079 6.091 1.00 0.00 C ATOM 0 H TRP A 54 -6.347 6.944 5.606 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.577 6.150 5.203 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.611 7.294 7.824 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.170 6.303 7.708 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.482 9.799 6.768 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.490 11.347 6.201 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.765 6.293 6.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.286 11.064 5.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.544 7.011 6.383 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.063 9.367 5.893 1.00 0.00 H new ATOM 788 N LEU A 55 -4.266 3.888 5.918 1.00 0.00 N ATOM 789 CA LEU A 55 -4.709 2.533 6.228 1.00 0.00 C ATOM 790 C LEU A 55 -3.681 1.808 7.092 1.00 0.00 C ATOM 791 O LEU A 55 -2.576 2.305 7.307 1.00 0.00 O ATOM 792 CB LEU A 55 -4.952 1.747 4.938 1.00 0.00 C ATOM 793 CG LEU A 55 -6.352 1.867 4.334 1.00 0.00 C ATOM 794 CD1 LEU A 55 -6.351 1.395 2.888 1.00 0.00 C ATOM 795 CD2 LEU A 55 -7.357 1.073 5.155 1.00 0.00 C ATOM 0 H LEU A 55 -3.403 3.936 5.376 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.643 2.601 6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.227 2.076 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.752 0.694 5.134 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.646 2.916 4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.355 1.487 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.661 2.006 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.036 0.352 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.348 1.170 4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.067 0.022 5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.378 1.457 6.175 1.00 0.00 H new ATOM 807 N MET A 56 -4.054 0.631 7.583 1.00 0.00 N ATOM 808 CA MET A 56 -3.163 -0.163 8.421 1.00 0.00 C ATOM 809 C MET A 56 -2.332 -1.122 7.574 1.00 0.00 C ATOM 810 O MET A 56 -2.826 -2.156 7.125 1.00 0.00 O ATOM 811 CB MET A 56 -3.968 -0.947 9.459 1.00 0.00 C ATOM 812 CG MET A 56 -3.220 -1.178 10.761 1.00 0.00 C ATOM 813 SD MET A 56 -2.891 0.353 11.654 1.00 0.00 S ATOM 814 CE MET A 56 -1.208 0.073 12.199 1.00 0.00 C ATOM 0 H MET A 56 -4.966 0.206 7.415 1.00 0.00 H new ATOM 0 HA MET A 56 -2.486 0.518 8.936 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.892 -0.410 9.671 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.250 -1.911 9.036 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.801 -1.847 11.396 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.276 -1.680 10.549 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.765 1.018 12.512 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.208 -0.623 13.038 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.625 -0.347 11.379 1.00 0.00 H new ATOM 824 N GLY A 57 -1.067 -0.773 7.361 1.00 0.00 N ATOM 825 CA GLY A 57 -0.189 -1.613 6.568 1.00 0.00 C ATOM 826 C GLY A 57 0.675 -2.518 7.424 1.00 0.00 C ATOM 827 O GLY A 57 1.148 -2.112 8.485 1.00 0.00 O ATOM 0 H GLY A 57 -0.635 0.077 7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.788 -2.222 5.890 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.451 -0.983 5.950 1.00 0.00 H new ATOM 831 N GLU A 58 0.880 -3.748 6.962 1.00 0.00 N ATOM 832 CA GLU A 58 1.691 -4.713 7.695 1.00 0.00 C ATOM 833 C GLU A 58 2.790 -5.287 6.805 1.00 0.00 C ATOM 834 O GLU A 58 2.516 -6.044 5.874 1.00 0.00 O ATOM 835 CB GLU A 58 0.814 -5.844 8.236 1.00 0.00 C ATOM 836 CG GLU A 58 1.528 -6.747 9.228 1.00 0.00 C ATOM 837 CD GLU A 58 0.630 -7.842 9.771 1.00 0.00 C ATOM 838 OE1 GLU A 58 -0.211 -7.540 10.643 1.00 0.00 O ATOM 839 OE2 GLU A 58 0.769 -8.999 9.324 1.00 0.00 O ATOM 0 H GLU A 58 0.496 -4.099 6.085 1.00 0.00 H new ATOM 0 HA GLU A 58 2.159 -4.195 8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.064 -5.413 8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.457 -6.447 7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.394 -7.199 8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.903 -6.146 10.056 1.00 0.00 H new ATOM 846 N ARG A 59 4.033 -4.921 7.099 1.00 0.00 N ATOM 847 CA ARG A 59 5.173 -5.398 6.326 1.00 0.00 C ATOM 848 C ARG A 59 6.383 -5.630 7.227 1.00 0.00 C ATOM 849 O ARG A 59 6.519 -5.001 8.275 1.00 0.00 O ATOM 850 CB ARG A 59 5.527 -4.394 5.227 1.00 0.00 C ATOM 851 CG ARG A 59 6.250 -5.016 4.043 1.00 0.00 C ATOM 852 CD ARG A 59 6.939 -3.959 3.194 1.00 0.00 C ATOM 853 NE ARG A 59 8.307 -3.707 3.639 1.00 0.00 N ATOM 854 CZ ARG A 59 8.956 -2.570 3.411 1.00 0.00 C ATOM 855 NH1 ARG A 59 8.364 -1.586 2.748 1.00 0.00 N ATOM 856 NH2 ARG A 59 10.199 -2.415 3.848 1.00 0.00 N ATOM 0 H ARG A 59 4.276 -4.296 7.867 1.00 0.00 H new ATOM 0 HA ARG A 59 4.897 -6.347 5.867 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.613 -3.917 4.874 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.152 -3.609 5.652 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.988 -5.734 4.402 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.538 -5.569 3.430 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.950 -4.281 2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.368 -3.032 3.235 1.00 0.00 H new ATOM 0 HE ARG A 59 8.791 -4.444 4.153 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.408 -1.701 2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.865 -0.714 2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.657 -3.169 4.360 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.696 -1.542 3.672 1.00 0.00 H new ATOM 870 N GLY A 60 7.260 -6.539 6.809 1.00 0.00 N ATOM 871 CA GLY A 60 8.446 -6.838 7.590 1.00 0.00 C ATOM 872 C GLY A 60 8.135 -7.050 9.059 1.00 0.00 C ATOM 873 O GLY A 60 8.783 -6.467 9.927 1.00 0.00 O ATOM 0 H GLY A 60 7.170 -7.073 5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.924 -7.732 7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.160 -6.021 7.487 1.00 0.00 H new ATOM 877 N ASN A 61 7.139 -7.885 9.337 1.00 0.00 N ATOM 878 CA ASN A 61 6.742 -8.170 10.711 1.00 0.00 C ATOM 879 C ASN A 61 6.529 -6.878 11.495 1.00 0.00 C ATOM 880 O ASN A 61 6.698 -6.846 12.713 1.00 0.00 O ATOM 881 CB ASN A 61 7.802 -9.030 11.402 1.00 0.00 C ATOM 882 CG ASN A 61 8.265 -10.185 10.535 1.00 0.00 C ATOM 883 OD1 ASN A 61 7.577 -11.199 10.415 1.00 0.00 O ATOM 884 ND2 ASN A 61 9.435 -10.036 9.926 1.00 0.00 N ATOM 0 H ASN A 61 6.592 -8.376 8.629 1.00 0.00 H new ATOM 0 HA ASN A 61 5.800 -8.718 10.685 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.659 -8.408 11.661 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.397 -9.420 12.336 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.798 -10.780 9.329 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.971 -9.178 10.055 1.00 0.00 H new ATOM 891 N GLN A 62 6.156 -5.817 10.786 1.00 0.00 N ATOM 892 CA GLN A 62 5.919 -4.524 11.416 1.00 0.00 C ATOM 893 C GLN A 62 4.502 -4.034 11.139 1.00 0.00 C ATOM 894 O GLN A 62 3.734 -4.690 10.434 1.00 0.00 O ATOM 895 CB GLN A 62 6.934 -3.495 10.913 1.00 0.00 C ATOM 896 CG GLN A 62 8.226 -3.473 11.714 1.00 0.00 C ATOM 897 CD GLN A 62 8.996 -2.178 11.544 1.00 0.00 C ATOM 898 OE1 GLN A 62 8.439 -1.161 11.129 1.00 0.00 O ATOM 899 NE2 GLN A 62 10.284 -2.209 11.864 1.00 0.00 N ATOM 0 H GLN A 62 6.012 -5.828 9.776 1.00 0.00 H new ATOM 0 HA GLN A 62 6.037 -4.646 12.493 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.167 -3.707 9.869 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.480 -2.504 10.944 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.997 -3.619 12.770 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.855 -4.308 11.405 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.704 -3.074 12.204 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.853 -1.368 11.770 1.00 0.00 H new ATOM 908 N LYS A 63 4.160 -2.879 11.699 1.00 0.00 N ATOM 909 CA LYS A 63 2.835 -2.300 11.512 1.00 0.00 C ATOM 910 C LYS A 63 2.891 -0.778 11.587 1.00 0.00 C ATOM 911 O LYS A 63 3.687 -0.212 12.335 1.00 0.00 O ATOM 912 CB LYS A 63 1.867 -2.838 12.569 1.00 0.00 C ATOM 913 CG LYS A 63 1.145 -4.105 12.143 1.00 0.00 C ATOM 914 CD LYS A 63 -0.192 -3.792 11.493 1.00 0.00 C ATOM 915 CE LYS A 63 -1.263 -3.498 12.532 1.00 0.00 C ATOM 916 NZ LYS A 63 -1.845 -4.746 13.098 1.00 0.00 N ATOM 0 H LYS A 63 4.783 -2.325 12.287 1.00 0.00 H new ATOM 0 HA LYS A 63 2.478 -2.585 10.522 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.419 -3.036 13.488 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.129 -2.069 12.799 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.769 -4.663 11.445 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.988 -4.745 13.011 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.083 -2.934 10.829 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.504 -4.635 10.876 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.834 -2.900 13.336 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.055 -2.901 12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.571 -4.502 13.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.277 -5.305 12.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.094 -5.304 13.553 1.00 0.00 H new ATOM 930 N GLY A 64 2.038 -0.119 10.807 1.00 0.00 N ATOM 931 CA GLY A 64 2.006 1.331 10.802 1.00 0.00 C ATOM 932 C GLY A 64 0.937 1.885 9.881 1.00 0.00 C ATOM 933 O GLY A 64 0.126 1.134 9.337 1.00 0.00 O ATOM 0 H GLY A 64 1.369 -0.564 10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.830 1.691 11.816 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.980 1.712 10.493 1.00 0.00 H new ATOM 937 N LYS A 65 0.931 3.202 9.707 1.00 0.00 N ATOM 938 CA LYS A 65 -0.047 3.856 8.847 1.00 0.00 C ATOM 939 C LYS A 65 0.503 4.034 7.435 1.00 0.00 C ATOM 940 O LYS A 65 1.649 4.444 7.252 1.00 0.00 O ATOM 941 CB LYS A 65 -0.439 5.217 9.428 1.00 0.00 C ATOM 942 CG LYS A 65 -1.024 5.134 10.827 1.00 0.00 C ATOM 943 CD LYS A 65 -1.924 6.322 11.126 1.00 0.00 C ATOM 944 CE LYS A 65 -1.232 7.639 10.808 1.00 0.00 C ATOM 945 NZ LYS A 65 -1.750 8.754 11.647 1.00 0.00 N ATOM 0 H LYS A 65 1.594 3.838 10.151 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.931 3.221 8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.440 5.861 9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.165 5.690 8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.593 4.210 10.930 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.217 5.095 11.558 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.841 6.241 10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.213 6.306 12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.159 7.533 10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.376 7.880 9.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.253 9.634 11.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.769 8.872 11.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.590 8.536 12.651 1.00 0.00 H new ATOM 959 N VAL A 66 -0.323 3.725 6.440 1.00 0.00 N ATOM 960 CA VAL A 66 0.080 3.854 5.045 1.00 0.00 C ATOM 961 C VAL A 66 -0.857 4.787 4.286 1.00 0.00 C ATOM 962 O VAL A 66 -2.080 4.677 4.364 1.00 0.00 O ATOM 963 CB VAL A 66 0.105 2.485 4.339 1.00 0.00 C ATOM 964 CG1 VAL A 66 1.142 1.574 4.978 1.00 0.00 C ATOM 965 CG2 VAL A 66 -1.274 1.843 4.373 1.00 0.00 C ATOM 0 H VAL A 66 -1.275 3.384 6.574 1.00 0.00 H new ATOM 0 HA VAL A 66 1.086 4.274 5.044 1.00 0.00 H new ATOM 0 HB VAL A 66 0.384 2.638 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.145 0.612 4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.128 2.032 4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.897 1.425 6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.238 0.877 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.584 1.702 5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.989 2.490 3.865 1.00 0.00 H new ATOM 975 N PRO A 67 -0.271 5.729 3.532 1.00 0.00 N ATOM 976 CA PRO A 67 -1.034 6.700 2.743 1.00 0.00 C ATOM 977 C PRO A 67 -1.743 6.054 1.558 1.00 0.00 C ATOM 978 O PRO A 67 -1.102 5.484 0.674 1.00 0.00 O ATOM 979 CB PRO A 67 0.035 7.681 2.256 1.00 0.00 C ATOM 980 CG PRO A 67 1.299 6.892 2.252 1.00 0.00 C ATOM 981 CD PRO A 67 1.183 5.918 3.392 1.00 0.00 C ATOM 0 HA PRO A 67 -1.826 7.168 3.328 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.199 8.059 1.261 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.110 8.545 2.916 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.430 6.370 1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.165 7.542 2.380 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.691 4.979 3.172 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.627 6.314 4.306 1.00 0.00 H new ATOM 989 N ILE A 68 -3.069 6.147 1.545 1.00 0.00 N ATOM 990 CA ILE A 68 -3.864 5.572 0.467 1.00 0.00 C ATOM 991 C ILE A 68 -3.475 6.169 -0.881 1.00 0.00 C ATOM 992 O ILE A 68 -3.519 5.492 -1.909 1.00 0.00 O ATOM 993 CB ILE A 68 -5.370 5.794 0.698 1.00 0.00 C ATOM 994 CG1 ILE A 68 -5.905 4.788 1.719 1.00 0.00 C ATOM 995 CG2 ILE A 68 -6.130 5.680 -0.615 1.00 0.00 C ATOM 996 CD1 ILE A 68 -5.770 5.252 3.153 1.00 0.00 C ATOM 0 H ILE A 68 -3.615 6.615 2.269 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.660 4.501 0.461 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.518 6.799 1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.956 4.591 1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.373 3.844 1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.193 5.839 -0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.764 6.432 -1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.979 4.687 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.169 4.489 3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.718 5.421 3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.325 6.180 3.289 1.00 0.00 H new ATOM 1008 N THR A 69 -3.092 7.442 -0.871 1.00 0.00 N ATOM 1009 CA THR A 69 -2.694 8.131 -2.092 1.00 0.00 C ATOM 1010 C THR A 69 -1.540 7.409 -2.779 1.00 0.00 C ATOM 1011 O THR A 69 -1.311 7.585 -3.976 1.00 0.00 O ATOM 1012 CB THR A 69 -2.276 9.586 -1.805 1.00 0.00 C ATOM 1013 OG1 THR A 69 -1.488 9.643 -0.611 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.498 10.480 -1.656 1.00 0.00 C ATOM 0 H THR A 69 -3.049 8.017 -0.030 1.00 0.00 H new ATOM 0 HA THR A 69 -3.562 8.133 -2.751 1.00 0.00 H new ATOM 0 HB THR A 69 -1.684 9.944 -2.647 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.225 10.571 -0.437 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.178 11.502 -1.454 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.080 10.457 -2.577 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.112 10.122 -0.830 1.00 0.00 H new ATOM 1022 N TYR A 70 -0.818 6.597 -2.015 1.00 0.00 N ATOM 1023 CA TYR A 70 0.314 5.850 -2.551 1.00 0.00 C ATOM 1024 C TYR A 70 -0.080 4.407 -2.853 1.00 0.00 C ATOM 1025 O TYR A 70 0.649 3.680 -3.528 1.00 0.00 O ATOM 1026 CB TYR A 70 1.482 5.876 -1.565 1.00 0.00 C ATOM 1027 CG TYR A 70 2.185 7.212 -1.494 1.00 0.00 C ATOM 1028 CD1 TYR A 70 1.532 8.338 -1.007 1.00 0.00 C ATOM 1029 CD2 TYR A 70 3.503 7.349 -1.913 1.00 0.00 C ATOM 1030 CE1 TYR A 70 2.171 9.561 -0.941 1.00 0.00 C ATOM 1031 CE2 TYR A 70 4.150 8.568 -1.849 1.00 0.00 C ATOM 1032 CZ TYR A 70 3.479 9.671 -1.363 1.00 0.00 C ATOM 1033 OH TYR A 70 4.119 10.888 -1.298 1.00 0.00 O ATOM 0 H TYR A 70 -0.996 6.439 -1.023 1.00 0.00 H new ATOM 0 HA TYR A 70 0.623 6.326 -3.482 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.114 5.615 -0.573 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.203 5.110 -1.849 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.508 8.256 -0.675 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.031 6.488 -2.295 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.649 10.426 -0.561 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.175 8.657 -2.177 1.00 0.00 H new ATOM 0 HH TYR A 70 5.035 10.794 -1.632 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.239 3.999 -2.348 1.00 0.00 N ATOM 1044 CA LEU A 71 -1.733 2.644 -2.562 1.00 0.00 C ATOM 1045 C LEU A 71 -2.863 2.631 -3.587 1.00 0.00 C ATOM 1046 O LEU A 71 -3.609 3.602 -3.713 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.220 2.042 -1.243 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.351 2.323 -0.016 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -2.184 2.256 1.254 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -0.190 1.342 0.052 1.00 0.00 C ATOM 0 H LEU A 71 -1.854 4.588 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.910 2.042 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.225 2.416 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.300 0.962 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.944 3.330 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.549 2.458 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.980 2.999 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.621 1.262 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.417 1.557 0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.576 0.325 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.422 1.440 -0.845 1.00 0.00 H new ATOM 1062 N GLU A 72 -2.983 1.525 -4.315 1.00 0.00 N ATOM 1063 CA GLU A 72 -4.023 1.387 -5.327 1.00 0.00 C ATOM 1064 C GLU A 72 -4.784 0.076 -5.150 1.00 0.00 C ATOM 1065 O GLU A 72 -4.490 -0.920 -5.812 1.00 0.00 O ATOM 1066 CB GLU A 72 -3.413 1.450 -6.729 1.00 0.00 C ATOM 1067 CG GLU A 72 -4.375 1.037 -7.830 1.00 0.00 C ATOM 1068 CD GLU A 72 -3.983 1.593 -9.186 1.00 0.00 C ATOM 1069 OE1 GLU A 72 -4.339 2.754 -9.475 1.00 0.00 O ATOM 1070 OE2 GLU A 72 -3.321 0.867 -9.957 1.00 0.00 O ATOM 0 H GLU A 72 -2.373 0.713 -4.223 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.724 2.213 -5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.069 2.466 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.535 0.804 -6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.413 -0.051 -7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.379 1.379 -7.578 1.00 0.00 H new ATOM 1077 N LEU A 73 -5.764 0.084 -4.253 1.00 0.00 N ATOM 1078 CA LEU A 73 -6.568 -1.103 -3.987 1.00 0.00 C ATOM 1079 C LEU A 73 -6.960 -1.797 -5.287 1.00 0.00 C ATOM 1080 O LEU A 73 -7.691 -1.238 -6.106 1.00 0.00 O ATOM 1081 CB LEU A 73 -7.823 -0.727 -3.197 1.00 0.00 C ATOM 1082 CG LEU A 73 -7.600 0.134 -1.953 1.00 0.00 C ATOM 1083 CD1 LEU A 73 -8.877 0.225 -1.132 1.00 0.00 C ATOM 1084 CD2 LEU A 73 -6.462 -0.427 -1.113 1.00 0.00 C ATOM 0 H LEU A 73 -6.021 0.900 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.967 -1.793 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.503 -0.197 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.326 -1.645 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.326 1.139 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.700 0.841 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.666 0.673 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.181 -0.774 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.318 0.198 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.706 -1.442 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.546 -0.439 -1.703 1.00 0.00 H new ATOM 1096 N LEU A 74 -6.472 -3.019 -5.470 1.00 0.00 N ATOM 1097 CA LEU A 74 -6.774 -3.792 -6.670 1.00 0.00 C ATOM 1098 C LEU A 74 -8.147 -4.448 -6.565 1.00 0.00 C ATOM 1099 O LEU A 74 -8.297 -5.641 -6.825 1.00 0.00 O ATOM 1100 CB LEU A 74 -5.702 -4.859 -6.896 1.00 0.00 C ATOM 1101 CG LEU A 74 -4.258 -4.426 -6.639 1.00 0.00 C ATOM 1102 CD1 LEU A 74 -3.389 -5.630 -6.311 1.00 0.00 C ATOM 1103 CD2 LEU A 74 -3.704 -3.677 -7.842 1.00 0.00 C ATOM 0 H LEU A 74 -5.866 -3.496 -4.803 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.783 -3.109 -7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.925 -5.711 -6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.777 -5.209 -7.926 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.248 -3.753 -5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.365 -5.302 -6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.774 -6.124 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.404 -6.329 -7.148 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.676 -3.376 -7.641 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.728 -4.326 -8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.311 -2.791 -8.030 1.00 0.00 H new ATOM 1115 N ASN A 75 -9.146 -3.659 -6.184 1.00 0.00 N ATOM 1116 CA ASN A 75 -10.508 -4.163 -6.046 1.00 0.00 C ATOM 1117 C ASN A 75 -11.137 -4.413 -7.413 1.00 0.00 C ATOM 1118 O ASN A 75 -10.650 -3.920 -8.431 1.00 0.00 O ATOM 1119 CB ASN A 75 -11.362 -3.173 -5.252 1.00 0.00 C ATOM 1120 CG ASN A 75 -11.208 -3.347 -3.754 1.00 0.00 C ATOM 1121 OD1 ASN A 75 -10.196 -3.864 -3.279 1.00 0.00 O ATOM 1122 ND2 ASN A 75 -12.213 -2.915 -3.001 1.00 0.00 N ATOM 0 H ASN A 75 -9.038 -2.669 -5.965 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.466 -5.110 -5.507 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.084 -2.156 -5.527 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.410 -3.302 -5.524 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.165 -3.005 -1.986 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.033 -2.493 -3.438 1.00 0.00 H new ATOM 1129 N SER A 76 -12.222 -5.180 -7.428 1.00 0.00 N ATOM 1130 CA SER A 76 -12.916 -5.498 -8.671 1.00 0.00 C ATOM 1131 C SER A 76 -13.804 -4.338 -9.109 1.00 0.00 C ATOM 1132 O SER A 76 -14.551 -3.777 -8.309 1.00 0.00 O ATOM 1133 CB SER A 76 -13.759 -6.764 -8.499 1.00 0.00 C ATOM 1134 OG SER A 76 -14.810 -6.554 -7.573 1.00 0.00 O ATOM 0 H SER A 76 -12.640 -5.593 -6.594 1.00 0.00 H new ATOM 0 HA SER A 76 -12.167 -5.671 -9.443 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.173 -7.063 -9.462 1.00 0.00 H new ATOM 0 HB3 SER A 76 -13.126 -7.583 -8.156 1.00 0.00 H new ATOM 0 HG SER A 76 -15.335 -7.377 -7.482 1.00 0.00 H new ATOM 1140 N GLY A 77 -13.715 -3.983 -10.388 1.00 0.00 N ATOM 1141 CA GLY A 77 -14.515 -2.891 -10.912 1.00 0.00 C ATOM 1142 C GLY A 77 -13.846 -2.190 -12.077 1.00 0.00 C ATOM 1143 O GLY A 77 -12.622 -2.063 -12.133 1.00 0.00 O ATOM 0 H GLY A 77 -13.104 -4.432 -11.070 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -15.484 -3.275 -11.231 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.704 -2.169 -10.117 1.00 0.00 H new ATOM 1147 N PRO A 78 -14.658 -1.721 -13.036 1.00 0.00 N ATOM 1148 CA PRO A 78 -14.159 -1.021 -14.224 1.00 0.00 C ATOM 1149 C PRO A 78 -13.595 0.356 -13.891 1.00 0.00 C ATOM 1150 O PRO A 78 -13.640 0.795 -12.742 1.00 0.00 O ATOM 1151 CB PRO A 78 -15.402 -0.891 -15.107 1.00 0.00 C ATOM 1152 CG PRO A 78 -16.548 -0.929 -14.156 1.00 0.00 C ATOM 1153 CD PRO A 78 -16.126 -1.837 -13.034 1.00 0.00 C ATOM 0 HA PRO A 78 -13.337 -1.557 -14.698 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -15.389 0.040 -15.674 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -15.461 -1.704 -15.830 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.780 0.069 -13.784 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -17.448 -1.304 -14.644 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.553 -1.524 -12.081 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -16.448 -2.864 -13.205 1.00 0.00 H new ATOM 1161 N SER A 79 -13.064 1.033 -14.904 1.00 0.00 N ATOM 1162 CA SER A 79 -12.488 2.360 -14.719 1.00 0.00 C ATOM 1163 C SER A 79 -13.411 3.436 -15.281 1.00 0.00 C ATOM 1164 O SER A 79 -13.707 4.427 -14.613 1.00 0.00 O ATOM 1165 CB SER A 79 -11.118 2.443 -15.394 1.00 0.00 C ATOM 1166 OG SER A 79 -11.249 2.599 -16.796 1.00 0.00 O ATOM 0 H SER A 79 -13.021 0.684 -15.862 1.00 0.00 H new ATOM 0 HA SER A 79 -12.369 2.531 -13.649 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.557 3.282 -14.983 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.547 1.540 -15.177 1.00 0.00 H new ATOM 0 HG SER A 79 -10.359 2.651 -17.204 1.00 0.00 H new ATOM 1172 N SER A 80 -13.863 3.234 -16.515 1.00 0.00 N ATOM 1173 CA SER A 80 -14.749 4.189 -17.170 1.00 0.00 C ATOM 1174 C SER A 80 -15.861 4.635 -16.225 1.00 0.00 C ATOM 1175 O SER A 80 -16.276 3.888 -15.340 1.00 0.00 O ATOM 1176 CB SER A 80 -15.354 3.571 -18.432 1.00 0.00 C ATOM 1177 OG SER A 80 -15.902 4.569 -19.276 1.00 0.00 O ATOM 0 H SER A 80 -13.630 2.418 -17.081 1.00 0.00 H new ATOM 0 HA SER A 80 -14.160 5.063 -17.448 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.588 3.015 -18.972 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.130 2.858 -18.155 1.00 0.00 H new ATOM 0 HG SER A 80 -16.281 4.149 -20.076 1.00 0.00 H new ATOM 1183 N GLY A 81 -16.339 5.860 -16.421 1.00 0.00 N ATOM 1184 CA GLY A 81 -17.398 6.386 -15.579 1.00 0.00 C ATOM 1185 C GLY A 81 -16.960 7.603 -14.789 1.00 0.00 C ATOM 1186 O GLY A 81 -17.552 7.929 -13.760 1.00 0.00 O ATOM 0 H GLY A 81 -16.012 6.497 -17.147 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -18.255 6.649 -16.200 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.730 5.609 -14.890 1.00 0.00 H new TER 1190 GLY A 81