USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 600 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 28 LYS NZ :NH3+ 177:sc= 0.0398 (180deg=0) USER MOD Set 1.2: A 54 ASN : amide:sc= 0.0363 K(o=0.076,f=-0.44) USER MOD Single : A 5 SER OG : rot -31:sc= 0.183 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.017) USER MOD Single : A 8 MET CE :methyl -106:sc= -4.7! (180deg=-12.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 147:sc= 1.12 (180deg=0.377) USER MOD Single : A 16 TYR OH : rot 130:sc= 0 USER MOD Single : A 19 SER OG : rot 44:sc= -0.0293 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 29 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.0496) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -5.07! C(o=-5.1!,f=-8.2!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0225 USER MOD Single : A 46 THR OG1 : rot -59:sc= 0.236 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 67:sc= 0.819 USER MOD Single : A 55 SER OG : rot 66:sc= 1.11 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -15.4! C(o=-15!,f=-14!) USER MOD Single : A 68 THR OG1 : rot -144:sc= -1.12! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 46 N LEU A 4 8.499 3.938 -4.816 1.00 0.00 N ATOM 47 CA LEU A 4 7.561 2.832 -4.910 1.00 0.00 C ATOM 48 C LEU A 4 6.882 2.629 -3.554 1.00 0.00 C ATOM 49 O LEU A 4 5.661 2.735 -3.446 1.00 0.00 O ATOM 50 CB LEU A 4 8.261 1.580 -5.440 1.00 0.00 C ATOM 51 CG LEU A 4 8.823 1.677 -6.861 1.00 0.00 C ATOM 52 CD1 LEU A 4 7.879 2.462 -7.772 1.00 0.00 C ATOM 53 CD2 LEU A 4 10.235 2.267 -6.852 1.00 0.00 C ATOM 0 HA LEU A 4 6.775 3.059 -5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.078 1.331 -4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.555 0.751 -5.406 1.00 0.00 H new ATOM 0 HG LEU A 4 8.898 0.669 -7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.302 2.516 -8.775 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.912 1.961 -7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.749 3.470 -7.379 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.612 2.325 -7.873 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.209 3.266 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.892 1.630 -6.259 1.00 0.00 H new ATOM 65 N SER A 5 7.702 2.340 -2.554 1.00 0.00 N ATOM 66 CA SER A 5 7.196 2.122 -1.211 1.00 0.00 C ATOM 67 C SER A 5 6.252 3.260 -0.815 1.00 0.00 C ATOM 68 O SER A 5 5.270 3.039 -0.107 1.00 0.00 O ATOM 69 CB SER A 5 8.341 2.007 -0.202 1.00 0.00 C ATOM 70 OG SER A 5 8.222 0.843 0.611 1.00 0.00 O ATOM 0 H SER A 5 8.714 2.252 -2.648 1.00 0.00 H new ATOM 0 HA SER A 5 6.645 1.182 -1.203 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.292 1.982 -0.734 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.355 2.893 0.433 1.00 0.00 H new ATOM 0 HG SER A 5 7.274 0.628 0.738 1.00 0.00 H new ATOM 76 N CYS A 6 6.584 4.452 -1.288 1.00 0.00 N ATOM 77 CA CYS A 6 5.778 5.625 -0.993 1.00 0.00 C ATOM 78 C CYS A 6 4.441 5.486 -1.723 1.00 0.00 C ATOM 79 O CYS A 6 3.423 5.171 -1.108 1.00 0.00 O ATOM 80 CB CYS A 6 6.503 6.918 -1.370 1.00 0.00 C ATOM 81 SG CYS A 6 5.668 8.453 -0.824 1.00 0.00 S ATOM 0 H CYS A 6 7.400 4.631 -1.873 1.00 0.00 H new ATOM 0 HA CYS A 6 5.599 5.686 0.080 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.505 6.894 -0.942 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.620 6.950 -2.453 1.00 0.00 H new ATOM 0 HG CYS A 6 6.369 9.483 -1.194 1.00 0.00 H new ATOM 86 N GLN A 7 4.487 5.726 -3.025 1.00 0.00 N ATOM 87 CA GLN A 7 3.292 5.632 -3.847 1.00 0.00 C ATOM 88 C GLN A 7 2.440 4.438 -3.409 1.00 0.00 C ATOM 89 O GLN A 7 1.246 4.583 -3.157 1.00 0.00 O ATOM 90 CB GLN A 7 3.652 5.535 -5.330 1.00 0.00 C ATOM 91 CG GLN A 7 3.580 6.907 -6.004 1.00 0.00 C ATOM 92 CD GLN A 7 2.464 6.946 -7.049 1.00 0.00 C ATOM 93 OE1 GLN A 7 2.457 6.199 -8.015 1.00 0.00 O ATOM 94 NE2 GLN A 7 1.525 7.855 -6.805 1.00 0.00 N ATOM 0 H GLN A 7 5.333 5.986 -3.532 1.00 0.00 H new ATOM 0 HA GLN A 7 2.707 6.541 -3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.656 5.125 -5.438 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.971 4.845 -5.829 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.406 7.677 -5.252 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.535 7.134 -6.478 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.592 8.448 -5.978 1.00 0.00 H new ATOM 0 HE22 GLN A 7 0.738 7.959 -7.445 1.00 0.00 H new ATOM 103 N MET A 8 3.090 3.285 -3.334 1.00 0.00 N ATOM 104 CA MET A 8 2.407 2.068 -2.932 1.00 0.00 C ATOM 105 C MET A 8 1.556 2.303 -1.683 1.00 0.00 C ATOM 106 O MET A 8 0.437 1.798 -1.586 1.00 0.00 O ATOM 107 CB MET A 8 3.439 0.974 -2.647 1.00 0.00 C ATOM 108 CG MET A 8 4.057 0.452 -3.946 1.00 0.00 C ATOM 109 SD MET A 8 5.414 -0.648 -3.578 1.00 0.00 S ATOM 110 CE MET A 8 5.764 -1.267 -5.216 1.00 0.00 C ATOM 0 H MET A 8 4.081 3.169 -3.545 1.00 0.00 H new ATOM 0 HA MET A 8 1.749 1.758 -3.744 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.223 1.368 -2.000 1.00 0.00 H new ATOM 0 HB3 MET A 8 2.965 0.153 -2.110 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.302 -0.072 -4.533 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.409 1.287 -4.552 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.406 -2.293 -5.302 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.261 -0.644 -5.956 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.839 -1.243 -5.392 1.00 0.00 H new ATOM 120 N CYS A 9 2.116 3.069 -0.759 1.00 0.00 N ATOM 121 CA CYS A 9 1.421 3.378 0.479 1.00 0.00 C ATOM 122 C CYS A 9 0.106 4.079 0.131 1.00 0.00 C ATOM 123 O CYS A 9 -0.894 3.911 0.827 1.00 0.00 O ATOM 124 CB CYS A 9 2.286 4.221 1.417 1.00 0.00 C ATOM 125 SG CYS A 9 2.108 6.031 1.208 1.00 0.00 S ATOM 0 H CYS A 9 3.043 3.485 -0.843 1.00 0.00 H new ATOM 0 HA CYS A 9 1.207 2.455 1.019 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.039 3.962 2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.331 3.953 1.263 1.00 0.00 H new ATOM 130 N GLU A 10 0.150 4.849 -0.946 1.00 0.00 N ATOM 131 CA GLU A 10 -1.025 5.576 -1.395 1.00 0.00 C ATOM 132 C GLU A 10 -1.960 4.646 -2.170 1.00 0.00 C ATOM 133 O GLU A 10 -3.065 5.039 -2.541 1.00 0.00 O ATOM 134 CB GLU A 10 -0.630 6.787 -2.243 1.00 0.00 C ATOM 135 CG GLU A 10 -1.842 7.673 -2.532 1.00 0.00 C ATOM 136 CD GLU A 10 -1.413 9.013 -3.134 1.00 0.00 C ATOM 137 OE1 GLU A 10 -1.103 9.922 -2.334 1.00 0.00 O ATOM 138 OE2 GLU A 10 -1.403 9.097 -4.381 1.00 0.00 O ATOM 0 H GLU A 10 0.981 4.985 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.556 5.946 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.133 7.366 -1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.189 6.450 -3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.515 7.161 -3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.398 7.846 -1.611 1.00 0.00 H new ATOM 146 N LEU A 11 -1.483 3.430 -2.392 1.00 0.00 N ATOM 147 CA LEU A 11 -2.263 2.440 -3.116 1.00 0.00 C ATOM 148 C LEU A 11 -3.090 1.622 -2.122 1.00 0.00 C ATOM 149 O LEU A 11 -4.270 1.367 -2.354 1.00 0.00 O ATOM 150 CB LEU A 11 -1.355 1.591 -4.009 1.00 0.00 C ATOM 151 CG LEU A 11 -2.034 0.437 -4.750 1.00 0.00 C ATOM 152 CD1 LEU A 11 -3.166 0.949 -5.642 1.00 0.00 C ATOM 153 CD2 LEU A 11 -1.012 -0.385 -5.537 1.00 0.00 C ATOM 0 H LEU A 11 -0.566 3.108 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.967 2.928 -3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.888 2.245 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.554 1.181 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.482 -0.227 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.632 0.109 -6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.911 1.457 -5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.763 1.647 -6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.520 -1.199 -6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.515 0.254 -6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.271 -0.797 -4.852 1.00 0.00 H new ATOM 165 N VAL A 12 -2.436 1.234 -1.037 1.00 0.00 N ATOM 166 CA VAL A 12 -3.095 0.449 -0.008 1.00 0.00 C ATOM 167 C VAL A 12 -4.151 1.313 0.688 1.00 0.00 C ATOM 168 O VAL A 12 -5.302 0.901 0.824 1.00 0.00 O ATOM 169 CB VAL A 12 -2.058 -0.121 0.962 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.986 -0.914 0.211 1.00 0.00 C ATOM 171 CG2 VAL A 12 -1.428 0.988 1.806 1.00 0.00 C ATOM 0 H VAL A 12 -1.457 1.449 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.610 -0.404 -0.450 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.571 -0.805 1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.261 -1.309 0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.453 -1.739 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.479 -0.260 -0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.695 0.555 2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.936 1.708 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.204 1.493 2.382 1.00 0.00 H new ATOM 181 N VAL A 13 -3.721 2.493 1.109 1.00 0.00 N ATOM 182 CA VAL A 13 -4.614 3.417 1.786 1.00 0.00 C ATOM 183 C VAL A 13 -5.764 3.788 0.848 1.00 0.00 C ATOM 184 O VAL A 13 -6.929 3.554 1.165 1.00 0.00 O ATOM 185 CB VAL A 13 -3.830 4.634 2.281 1.00 0.00 C ATOM 186 CG1 VAL A 13 -2.737 4.218 3.268 1.00 0.00 C ATOM 187 CG2 VAL A 13 -3.240 5.420 1.109 1.00 0.00 C ATOM 0 H VAL A 13 -2.765 2.830 0.994 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.052 2.948 2.667 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.525 5.289 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.195 5.102 3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.191 3.722 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.045 3.533 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.688 6.280 1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.566 4.777 0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.045 5.764 0.460 1.00 0.00 H new ATOM 197 N LYS A 14 -5.397 4.360 -0.290 1.00 0.00 N ATOM 198 CA LYS A 14 -6.384 4.765 -1.277 1.00 0.00 C ATOM 199 C LYS A 14 -7.415 3.648 -1.450 1.00 0.00 C ATOM 200 O LYS A 14 -8.593 3.917 -1.681 1.00 0.00 O ATOM 201 CB LYS A 14 -5.698 5.176 -2.581 1.00 0.00 C ATOM 202 CG LYS A 14 -6.727 5.598 -3.632 1.00 0.00 C ATOM 203 CD LYS A 14 -6.084 6.471 -4.711 1.00 0.00 C ATOM 204 CE LYS A 14 -5.958 5.709 -6.031 1.00 0.00 C ATOM 205 NZ LYS A 14 -6.074 6.636 -7.178 1.00 0.00 N ATOM 0 H LYS A 14 -4.430 4.553 -0.550 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.925 5.648 -0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.009 5.999 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.104 4.345 -2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.167 4.713 -4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.538 6.146 -3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.683 7.369 -4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.098 6.797 -4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.999 5.192 -6.069 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.734 4.946 -6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.986 6.102 -8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.999 7.110 -7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.318 7.349 -7.126 1.00 0.00 H new ATOM 219 N LYS A 15 -6.934 2.419 -1.329 1.00 0.00 N ATOM 220 CA LYS A 15 -7.800 1.260 -1.469 1.00 0.00 C ATOM 221 C LYS A 15 -8.618 1.083 -0.189 1.00 0.00 C ATOM 222 O LYS A 15 -9.807 0.773 -0.245 1.00 0.00 O ATOM 223 CB LYS A 15 -6.983 0.025 -1.854 1.00 0.00 C ATOM 224 CG LYS A 15 -6.559 0.084 -3.322 1.00 0.00 C ATOM 225 CD LYS A 15 -7.770 -0.044 -4.250 1.00 0.00 C ATOM 226 CE LYS A 15 -7.330 -0.216 -5.704 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.307 0.417 -6.619 1.00 0.00 N ATOM 0 H LYS A 15 -5.957 2.201 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.510 1.410 -2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.100 -0.043 -1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.573 -0.875 -1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.045 1.025 -3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.850 -0.717 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.377 -0.897 -3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.398 0.842 -4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.346 0.230 -5.848 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.237 -1.276 -5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.810 0.794 -7.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.005 -0.291 -6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.793 1.192 -6.125 1.00 0.00 H new ATOM 241 N TYR A 16 -7.948 1.287 0.937 1.00 0.00 N ATOM 242 CA TYR A 16 -8.598 1.153 2.229 1.00 0.00 C ATOM 243 C TYR A 16 -9.438 2.391 2.551 1.00 0.00 C ATOM 244 O TYR A 16 -10.666 2.336 2.525 1.00 0.00 O ATOM 245 CB TYR A 16 -7.471 1.033 3.258 1.00 0.00 C ATOM 246 CG TYR A 16 -7.950 1.041 4.710 1.00 0.00 C ATOM 247 CD1 TYR A 16 -9.295 0.910 4.993 1.00 0.00 C ATOM 248 CD2 TYR A 16 -7.039 1.179 5.737 1.00 0.00 C ATOM 249 CE1 TYR A 16 -9.747 0.917 6.361 1.00 0.00 C ATOM 250 CE2 TYR A 16 -7.491 1.187 7.105 1.00 0.00 C ATOM 251 CZ TYR A 16 -8.823 1.055 7.349 1.00 0.00 C ATOM 252 OH TYR A 16 -9.249 1.062 8.641 1.00 0.00 O ATOM 0 H TYR A 16 -6.962 1.544 0.980 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.264 0.290 2.236 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.921 0.110 3.073 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.771 1.856 3.113 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.008 0.802 4.189 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.987 1.281 5.515 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.796 0.815 6.596 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.789 1.295 7.918 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.717 0.427 9.164 1.00 0.00 H new ATOM 262 N GLU A 17 -8.740 3.478 2.849 1.00 0.00 N ATOM 263 CA GLU A 17 -9.406 4.727 3.176 1.00 0.00 C ATOM 264 C GLU A 17 -10.661 4.901 2.317 1.00 0.00 C ATOM 265 O GLU A 17 -11.699 5.339 2.811 1.00 0.00 O ATOM 266 CB GLU A 17 -8.457 5.915 3.007 1.00 0.00 C ATOM 267 CG GLU A 17 -7.370 5.906 4.084 1.00 0.00 C ATOM 268 CD GLU A 17 -7.912 6.435 5.414 1.00 0.00 C ATOM 269 OE1 GLU A 17 -8.550 5.631 6.126 1.00 0.00 O ATOM 270 OE2 GLU A 17 -7.674 7.632 5.687 1.00 0.00 O ATOM 0 H GLU A 17 -7.721 3.519 2.871 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.708 4.691 4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.996 5.879 2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.021 6.846 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.994 4.892 4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.528 6.518 3.761 1.00 0.00 H new ATOM 278 N GLY A 18 -10.522 4.550 1.048 1.00 0.00 N ATOM 279 CA GLY A 18 -11.632 4.661 0.116 1.00 0.00 C ATOM 280 C GLY A 18 -11.986 3.298 -0.482 1.00 0.00 C ATOM 281 O GLY A 18 -12.050 3.149 -1.701 1.00 0.00 O ATOM 0 H GLY A 18 -9.659 4.189 0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.501 5.074 0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.373 5.356 -0.683 1.00 0.00 H new ATOM 285 N SER A 19 -12.205 2.338 0.405 1.00 0.00 N ATOM 286 CA SER A 19 -12.550 0.992 -0.020 1.00 0.00 C ATOM 287 C SER A 19 -14.070 0.838 -0.087 1.00 0.00 C ATOM 288 O SER A 19 -14.602 0.302 -1.058 1.00 0.00 O ATOM 289 CB SER A 19 -11.951 -0.054 0.922 1.00 0.00 C ATOM 290 OG SER A 19 -11.256 -1.076 0.212 1.00 0.00 O ATOM 0 H SER A 19 -12.150 2.466 1.415 1.00 0.00 H new ATOM 0 HA SER A 19 -12.131 0.829 -1.013 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.268 0.433 1.617 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.746 -0.503 1.518 1.00 0.00 H new ATOM 0 HG SER A 19 -10.710 -0.671 -0.494 1.00 0.00 H new ATOM 296 N ALA A 20 -14.728 1.318 0.959 1.00 0.00 N ATOM 297 CA ALA A 20 -16.177 1.240 1.032 1.00 0.00 C ATOM 298 C ALA A 20 -16.583 -0.130 1.578 1.00 0.00 C ATOM 299 O ALA A 20 -17.756 -0.367 1.862 1.00 0.00 O ATOM 300 CB ALA A 20 -16.774 1.517 -0.349 1.00 0.00 C ATOM 0 H ALA A 20 -14.284 1.762 1.763 1.00 0.00 H new ATOM 0 HA ALA A 20 -16.568 1.996 1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -17.861 1.458 -0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.481 2.514 -0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -16.406 0.777 -1.059 1.00 0.00 H new ATOM 306 N ASP A 21 -15.590 -0.998 1.709 1.00 0.00 N ATOM 307 CA ASP A 21 -15.829 -2.338 2.216 1.00 0.00 C ATOM 308 C ASP A 21 -15.122 -2.503 3.563 1.00 0.00 C ATOM 309 O ASP A 21 -15.491 -3.363 4.361 1.00 0.00 O ATOM 310 CB ASP A 21 -15.276 -3.396 1.259 1.00 0.00 C ATOM 311 CG ASP A 21 -16.174 -4.619 1.058 1.00 0.00 C ATOM 312 OD1 ASP A 21 -17.158 -4.732 1.820 1.00 0.00 O ATOM 313 OD2 ASP A 21 -15.855 -5.413 0.147 1.00 0.00 O ATOM 0 H ASP A 21 -14.618 -0.799 1.473 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.906 -2.472 2.319 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.099 -2.930 0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.309 -3.732 1.632 1.00 0.00 H new ATOM 319 N LYS A 22 -14.118 -1.665 3.774 1.00 0.00 N ATOM 320 CA LYS A 22 -13.355 -1.708 5.010 1.00 0.00 C ATOM 321 C LYS A 22 -12.869 -3.137 5.256 1.00 0.00 C ATOM 322 O LYS A 22 -13.301 -3.788 6.205 1.00 0.00 O ATOM 323 CB LYS A 22 -14.176 -1.130 6.165 1.00 0.00 C ATOM 324 CG LYS A 22 -14.531 0.336 5.907 1.00 0.00 C ATOM 325 CD LYS A 22 -15.823 0.452 5.098 1.00 0.00 C ATOM 326 CE LYS A 22 -17.050 0.389 6.010 1.00 0.00 C ATOM 327 NZ LYS A 22 -18.293 0.519 5.218 1.00 0.00 N ATOM 0 H LYS A 22 -13.815 -0.952 3.110 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.468 -1.079 4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.089 -1.712 6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.612 -1.213 7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.644 0.859 6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.716 0.822 5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.826 1.390 4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.870 -0.352 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.057 -0.555 6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.000 1.186 6.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.115 0.474 5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.292 1.430 4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.347 -0.256 4.527 1.00 0.00 H new ATOM 341 N ASP A 23 -11.976 -3.582 4.384 1.00 0.00 N ATOM 342 CA ASP A 23 -11.426 -4.922 4.495 1.00 0.00 C ATOM 343 C ASP A 23 -9.985 -4.922 3.978 1.00 0.00 C ATOM 344 O ASP A 23 -9.744 -4.658 2.801 1.00 0.00 O ATOM 345 CB ASP A 23 -12.229 -5.918 3.654 1.00 0.00 C ATOM 346 CG ASP A 23 -12.978 -6.985 4.456 1.00 0.00 C ATOM 347 OD1 ASP A 23 -12.840 -6.962 5.698 1.00 0.00 O ATOM 348 OD2 ASP A 23 -13.670 -7.798 3.809 1.00 0.00 O ATOM 0 H ASP A 23 -11.620 -3.038 3.598 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.468 -5.218 5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.950 -5.364 3.052 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.551 -6.415 2.961 1.00 0.00 H new ATOM 354 N ALA A 24 -9.066 -5.220 4.884 1.00 0.00 N ATOM 355 CA ALA A 24 -7.656 -5.258 4.536 1.00 0.00 C ATOM 356 C ALA A 24 -7.407 -6.410 3.561 1.00 0.00 C ATOM 357 O ALA A 24 -6.315 -6.537 3.009 1.00 0.00 O ATOM 358 CB ALA A 24 -6.818 -5.381 5.810 1.00 0.00 C ATOM 0 H ALA A 24 -9.270 -5.438 5.859 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.359 -4.335 4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.760 -5.409 5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.009 -4.524 6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.087 -6.298 6.335 1.00 0.00 H new ATOM 364 N ASN A 25 -8.438 -7.223 3.378 1.00 0.00 N ATOM 365 CA ASN A 25 -8.344 -8.361 2.479 1.00 0.00 C ATOM 366 C ASN A 25 -8.595 -7.894 1.045 1.00 0.00 C ATOM 367 O ASN A 25 -7.824 -8.211 0.141 1.00 0.00 O ATOM 368 CB ASN A 25 -9.393 -9.421 2.822 1.00 0.00 C ATOM 369 CG ASN A 25 -8.769 -10.574 3.612 1.00 0.00 C ATOM 370 OD1 ASN A 25 -7.916 -10.386 4.464 1.00 0.00 O ATOM 371 ND2 ASN A 25 -9.242 -11.773 3.283 1.00 0.00 N ATOM 0 H ASN A 25 -9.342 -7.116 3.837 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.348 -8.792 2.583 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.196 -8.969 3.405 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.841 -9.804 1.905 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.890 -12.607 3.754 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.956 -11.859 2.560 1.00 0.00 H new ATOM 378 N VAL A 26 -9.678 -7.148 0.880 1.00 0.00 N ATOM 379 CA VAL A 26 -10.040 -6.634 -0.430 1.00 0.00 C ATOM 380 C VAL A 26 -9.186 -5.406 -0.746 1.00 0.00 C ATOM 381 O VAL A 26 -9.178 -4.924 -1.878 1.00 0.00 O ATOM 382 CB VAL A 26 -11.543 -6.347 -0.482 1.00 0.00 C ATOM 383 CG1 VAL A 26 -12.066 -6.424 -1.918 1.00 0.00 C ATOM 384 CG2 VAL A 26 -12.314 -7.297 0.435 1.00 0.00 C ATOM 0 H VAL A 26 -10.316 -6.887 1.632 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.837 -7.377 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.703 -5.331 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.136 -6.216 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.548 -5.689 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.887 -7.422 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.379 -7.072 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.144 -8.326 0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.970 -7.171 1.462 1.00 0.00 H new ATOM 394 N ILE A 27 -8.487 -4.932 0.276 1.00 0.00 N ATOM 395 CA ILE A 27 -7.630 -3.768 0.121 1.00 0.00 C ATOM 396 C ILE A 27 -6.229 -4.223 -0.294 1.00 0.00 C ATOM 397 O ILE A 27 -5.838 -4.067 -1.450 1.00 0.00 O ATOM 398 CB ILE A 27 -7.649 -2.917 1.393 1.00 0.00 C ATOM 399 CG1 ILE A 27 -9.032 -2.304 1.621 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.550 -1.853 1.356 1.00 0.00 C ATOM 401 CD1 ILE A 27 -9.213 -1.887 3.082 1.00 0.00 C ATOM 0 H ILE A 27 -8.497 -5.333 1.214 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.004 -3.122 -0.673 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.440 -3.567 2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.161 -1.437 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.803 -3.024 1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.585 -1.262 2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.577 -2.338 1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.704 -1.201 0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.204 -1.454 3.217 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.108 -2.761 3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.456 -1.149 3.346 1.00 0.00 H new ATOM 413 N LYS A 28 -5.511 -4.777 0.673 1.00 0.00 N ATOM 414 CA LYS A 28 -4.163 -5.255 0.423 1.00 0.00 C ATOM 415 C LYS A 28 -4.108 -5.921 -0.955 1.00 0.00 C ATOM 416 O LYS A 28 -3.182 -5.682 -1.727 1.00 0.00 O ATOM 417 CB LYS A 28 -3.696 -6.162 1.562 1.00 0.00 C ATOM 418 CG LYS A 28 -4.318 -7.555 1.445 1.00 0.00 C ATOM 419 CD LYS A 28 -4.134 -8.349 2.740 1.00 0.00 C ATOM 420 CE LYS A 28 -2.650 -8.503 3.082 1.00 0.00 C ATOM 421 NZ LYS A 28 -2.333 -9.915 3.389 1.00 0.00 N ATOM 0 H LYS A 28 -5.838 -4.905 1.631 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.462 -4.421 0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.609 -6.243 1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.968 -5.718 2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.380 -7.465 1.218 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.859 -8.094 0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.649 -7.844 3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.591 -9.333 2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.041 -8.161 2.246 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.400 -7.874 3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.313 -10.011 3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.863 -10.214 4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.600 -10.514 2.582 1.00 0.00 H new ATOM 435 N LYS A 29 -5.115 -6.741 -1.219 1.00 0.00 N ATOM 436 CA LYS A 29 -5.194 -7.442 -2.489 1.00 0.00 C ATOM 437 C LYS A 29 -5.382 -6.426 -3.617 1.00 0.00 C ATOM 438 O LYS A 29 -4.634 -6.432 -4.594 1.00 0.00 O ATOM 439 CB LYS A 29 -6.282 -8.516 -2.441 1.00 0.00 C ATOM 440 CG LYS A 29 -5.762 -9.795 -1.781 1.00 0.00 C ATOM 441 CD LYS A 29 -6.916 -10.639 -1.236 1.00 0.00 C ATOM 442 CE LYS A 29 -8.111 -10.617 -2.193 1.00 0.00 C ATOM 443 NZ LYS A 29 -7.762 -11.272 -3.473 1.00 0.00 N ATOM 0 H LYS A 29 -5.882 -6.935 -0.576 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.263 -7.973 -2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.143 -8.142 -1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.624 -8.737 -3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.192 -10.377 -2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.080 -9.539 -0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.582 -11.666 -1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.220 -10.260 -0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.959 -11.127 -1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.419 -9.588 -2.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.821 -10.578 -4.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.794 -11.648 -3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.426 -12.051 -3.657 1.00 0.00 H new ATOM 457 N ASP A 30 -6.385 -5.578 -3.445 1.00 0.00 N ATOM 458 CA ASP A 30 -6.681 -4.558 -4.437 1.00 0.00 C ATOM 459 C ASP A 30 -5.379 -3.884 -4.873 1.00 0.00 C ATOM 460 O ASP A 30 -5.064 -3.843 -6.062 1.00 0.00 O ATOM 461 CB ASP A 30 -7.601 -3.481 -3.860 1.00 0.00 C ATOM 462 CG ASP A 30 -9.090 -3.678 -4.152 1.00 0.00 C ATOM 463 OD1 ASP A 30 -9.400 -4.620 -4.914 1.00 0.00 O ATOM 464 OD2 ASP A 30 -9.885 -2.883 -3.607 1.00 0.00 O ATOM 0 H ASP A 30 -7.003 -5.576 -2.634 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.175 -5.040 -5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.460 -3.444 -2.780 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.294 -2.512 -4.255 1.00 0.00 H new ATOM 470 N PHE A 31 -4.656 -3.372 -3.888 1.00 0.00 N ATOM 471 CA PHE A 31 -3.395 -2.701 -4.154 1.00 0.00 C ATOM 472 C PHE A 31 -2.582 -3.461 -5.205 1.00 0.00 C ATOM 473 O PHE A 31 -2.142 -2.879 -6.195 1.00 0.00 O ATOM 474 CB PHE A 31 -2.613 -2.679 -2.840 1.00 0.00 C ATOM 475 CG PHE A 31 -1.122 -2.381 -3.007 1.00 0.00 C ATOM 476 CD1 PHE A 31 -0.274 -3.362 -3.417 1.00 0.00 C ATOM 477 CD2 PHE A 31 -0.645 -1.134 -2.747 1.00 0.00 C ATOM 478 CE1 PHE A 31 1.111 -3.085 -3.572 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.740 -0.857 -2.902 1.00 0.00 C ATOM 480 CZ PHE A 31 1.588 -1.838 -3.312 1.00 0.00 C ATOM 0 H PHE A 31 -4.920 -3.408 -2.903 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.581 -1.696 -4.533 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.051 -1.929 -2.181 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.727 -3.644 -2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.653 -4.352 -3.625 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.319 -0.355 -2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.785 -3.864 -3.896 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.119 0.133 -2.694 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.640 -1.627 -3.431 1.00 0.00 H new ATOM 490 N ASP A 32 -2.406 -4.750 -4.953 1.00 0.00 N ATOM 491 CA ASP A 32 -1.654 -5.596 -5.864 1.00 0.00 C ATOM 492 C ASP A 32 -2.207 -5.430 -7.280 1.00 0.00 C ATOM 493 O ASP A 32 -1.446 -5.260 -8.232 1.00 0.00 O ATOM 494 CB ASP A 32 -1.779 -7.071 -5.477 1.00 0.00 C ATOM 495 CG ASP A 32 -0.974 -8.038 -6.347 1.00 0.00 C ATOM 496 OD1 ASP A 32 -0.082 -7.543 -7.070 1.00 0.00 O ATOM 497 OD2 ASP A 32 -1.268 -9.250 -6.269 1.00 0.00 O ATOM 0 H ASP A 32 -2.772 -5.229 -4.130 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.607 -5.298 -5.814 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.461 -7.187 -4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.830 -7.355 -5.522 1.00 0.00 H new ATOM 503 N ALA A 33 -3.527 -5.486 -7.376 1.00 0.00 N ATOM 504 CA ALA A 33 -4.192 -5.343 -8.661 1.00 0.00 C ATOM 505 C ALA A 33 -3.735 -4.044 -9.325 1.00 0.00 C ATOM 506 O ALA A 33 -3.104 -4.071 -10.381 1.00 0.00 O ATOM 507 CB ALA A 33 -5.708 -5.395 -8.460 1.00 0.00 C ATOM 0 H ALA A 33 -4.155 -5.628 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.924 -6.164 -9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.207 -5.288 -9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.983 -6.350 -8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.016 -4.584 -7.800 1.00 0.00 H new ATOM 513 N GLU A 34 -4.071 -2.937 -8.679 1.00 0.00 N ATOM 514 CA GLU A 34 -3.703 -1.629 -9.195 1.00 0.00 C ATOM 515 C GLU A 34 -2.241 -1.628 -9.646 1.00 0.00 C ATOM 516 O GLU A 34 -1.918 -1.113 -10.716 1.00 0.00 O ATOM 517 CB GLU A 34 -3.956 -0.538 -8.152 1.00 0.00 C ATOM 518 CG GLU A 34 -4.467 0.744 -8.814 1.00 0.00 C ATOM 519 CD GLU A 34 -5.937 0.606 -9.214 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.228 -0.333 -9.987 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.736 1.442 -8.740 1.00 0.00 O ATOM 0 H GLU A 34 -4.594 -2.919 -7.803 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.329 -1.412 -10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.684 -0.890 -7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.035 -0.329 -7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.350 1.583 -8.128 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.866 0.967 -9.696 1.00 0.00 H new ATOM 529 N CYS A 35 -1.396 -2.210 -8.808 1.00 0.00 N ATOM 530 CA CYS A 35 0.024 -2.283 -9.107 1.00 0.00 C ATOM 531 C CYS A 35 0.194 -2.964 -10.466 1.00 0.00 C ATOM 532 O CYS A 35 1.001 -2.528 -11.287 1.00 0.00 O ATOM 533 CB CYS A 35 0.798 -3.008 -8.004 1.00 0.00 C ATOM 534 SG CYS A 35 1.161 -1.993 -6.526 1.00 0.00 S ATOM 0 H CYS A 35 -1.668 -2.636 -7.922 1.00 0.00 H new ATOM 0 HA CYS A 35 0.441 -1.277 -9.151 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.227 -3.884 -7.695 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.739 -3.371 -8.418 1.00 0.00 H new ATOM 539 N LYS A 36 -0.578 -4.022 -10.663 1.00 0.00 N ATOM 540 CA LYS A 36 -0.523 -4.768 -11.909 1.00 0.00 C ATOM 541 C LYS A 36 -1.225 -3.969 -13.008 1.00 0.00 C ATOM 542 O LYS A 36 -1.295 -4.411 -14.154 1.00 0.00 O ATOM 543 CB LYS A 36 -1.089 -6.176 -11.716 1.00 0.00 C ATOM 544 CG LYS A 36 -0.286 -6.952 -10.670 1.00 0.00 C ATOM 545 CD LYS A 36 0.015 -8.372 -11.153 1.00 0.00 C ATOM 546 CE LYS A 36 1.028 -8.360 -12.299 1.00 0.00 C ATOM 547 NZ LYS A 36 0.860 -9.557 -13.152 1.00 0.00 N ATOM 0 H LYS A 36 -1.246 -4.381 -9.980 1.00 0.00 H new ATOM 0 HA LYS A 36 0.511 -4.906 -12.225 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.132 -6.113 -11.406 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.071 -6.712 -12.665 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.648 -6.429 -10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.844 -6.993 -9.735 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.404 -8.966 -10.326 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.907 -8.850 -11.483 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.898 -7.458 -12.898 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.041 -8.332 -11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.555 -9.533 -13.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.007 -10.414 -12.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.100 -9.567 -13.551 1.00 0.00 H new ATOM 561 N LYS A 37 -1.727 -2.805 -12.622 1.00 0.00 N ATOM 562 CA LYS A 37 -2.420 -1.939 -13.559 1.00 0.00 C ATOM 563 C LYS A 37 -1.522 -0.752 -13.911 1.00 0.00 C ATOM 564 O LYS A 37 -1.367 -0.413 -15.084 1.00 0.00 O ATOM 565 CB LYS A 37 -3.787 -1.534 -13.005 1.00 0.00 C ATOM 566 CG LYS A 37 -4.864 -2.544 -13.407 1.00 0.00 C ATOM 567 CD LYS A 37 -5.529 -3.155 -12.172 1.00 0.00 C ATOM 568 CE LYS A 37 -6.898 -2.523 -11.918 1.00 0.00 C ATOM 569 NZ LYS A 37 -7.937 -3.188 -12.736 1.00 0.00 N ATOM 0 H LYS A 37 -1.667 -2.441 -11.671 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.624 -2.470 -14.489 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.737 -1.464 -11.918 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.055 -0.545 -13.376 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.616 -2.053 -14.024 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.420 -3.333 -14.013 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.641 -4.231 -12.309 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.890 -3.010 -11.301 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.152 -2.604 -10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.864 -1.460 -12.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.860 -2.746 -12.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.702 -3.089 -13.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.980 -4.197 -12.489 1.00 0.00 H new ATOM 583 N LEU A 38 -0.955 -0.153 -12.874 1.00 0.00 N ATOM 584 CA LEU A 38 -0.076 0.990 -13.059 1.00 0.00 C ATOM 585 C LEU A 38 1.380 0.528 -12.976 1.00 0.00 C ATOM 586 O LEU A 38 2.193 0.867 -13.834 1.00 0.00 O ATOM 587 CB LEU A 38 -0.426 2.101 -12.067 1.00 0.00 C ATOM 588 CG LEU A 38 0.430 2.164 -10.801 1.00 0.00 C ATOM 589 CD1 LEU A 38 0.610 3.608 -10.332 1.00 0.00 C ATOM 590 CD2 LEU A 38 -0.150 1.272 -9.702 1.00 0.00 C ATOM 0 H LEU A 38 -1.087 -0.437 -11.903 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.217 1.422 -14.050 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.348 3.058 -12.582 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.468 1.982 -11.771 1.00 0.00 H new ATOM 0 HG LEU A 38 1.421 1.778 -11.039 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.222 3.624 -9.430 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.101 4.186 -11.115 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.365 4.045 -10.116 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.478 1.335 -8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.159 1.605 -9.458 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.182 0.240 -10.051 1.00 0.00 H new ATOM 602 N PHE A 39 1.665 -0.241 -11.935 1.00 0.00 N ATOM 603 CA PHE A 39 3.008 -0.754 -11.728 1.00 0.00 C ATOM 604 C PHE A 39 3.222 -2.058 -12.500 1.00 0.00 C ATOM 605 O PHE A 39 4.185 -2.781 -12.250 1.00 0.00 O ATOM 606 CB PHE A 39 3.156 -1.030 -10.232 1.00 0.00 C ATOM 607 CG PHE A 39 3.489 0.210 -9.399 1.00 0.00 C ATOM 608 CD1 PHE A 39 4.556 0.985 -9.732 1.00 0.00 C ATOM 609 CD2 PHE A 39 2.719 0.537 -8.327 1.00 0.00 C ATOM 610 CE1 PHE A 39 4.866 2.137 -8.960 1.00 0.00 C ATOM 611 CE2 PHE A 39 3.028 1.688 -7.555 1.00 0.00 C ATOM 612 CZ PHE A 39 4.095 2.463 -7.888 1.00 0.00 C ATOM 0 H PHE A 39 0.988 -0.521 -11.226 1.00 0.00 H new ATOM 0 HA PHE A 39 3.742 -0.030 -12.082 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.229 -1.466 -9.860 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.939 -1.774 -10.086 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.168 0.725 -10.583 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.872 -0.079 -8.063 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.713 2.753 -9.224 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.416 1.948 -6.704 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.330 3.338 -7.301 1.00 0.00 H new ATOM 622 N HIS A 40 2.306 -2.321 -13.421 1.00 0.00 N ATOM 623 CA HIS A 40 2.382 -3.525 -14.229 1.00 0.00 C ATOM 624 C HIS A 40 3.639 -3.480 -15.100 1.00 0.00 C ATOM 625 O HIS A 40 4.493 -4.361 -15.009 1.00 0.00 O ATOM 626 CB HIS A 40 1.102 -3.712 -15.046 1.00 0.00 C ATOM 627 CG HIS A 40 1.276 -3.467 -16.526 1.00 0.00 C ATOM 628 ND1 HIS A 40 2.221 -4.130 -17.289 1.00 0.00 N ATOM 629 CD2 HIS A 40 0.616 -2.627 -17.374 1.00 0.00 C ATOM 630 CE1 HIS A 40 2.126 -3.699 -18.539 1.00 0.00 C ATOM 631 NE2 HIS A 40 1.131 -2.767 -18.588 1.00 0.00 N ATOM 0 H HIS A 40 1.507 -1.720 -13.625 1.00 0.00 H new ATOM 0 HA HIS A 40 2.462 -4.398 -13.581 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.733 -4.727 -14.897 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.337 -3.036 -14.664 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.190 -1.961 -17.103 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.730 -4.028 -19.372 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.832 -2.261 -19.422 1.00 0.00 H new ATOM 640 N THR A 41 3.713 -2.446 -15.924 1.00 0.00 N ATOM 641 CA THR A 41 4.852 -2.274 -16.810 1.00 0.00 C ATOM 642 C THR A 41 6.158 -2.534 -16.057 1.00 0.00 C ATOM 643 O THR A 41 7.092 -3.114 -16.607 1.00 0.00 O ATOM 644 CB THR A 41 4.771 -0.873 -17.420 1.00 0.00 C ATOM 645 OG1 THR A 41 4.841 -0.001 -16.296 1.00 0.00 O ATOM 646 CG2 THR A 41 3.400 -0.581 -18.033 1.00 0.00 C ATOM 0 H THR A 41 3.002 -1.718 -15.997 1.00 0.00 H new ATOM 0 HA THR A 41 4.832 -2.999 -17.623 1.00 0.00 H new ATOM 0 HB THR A 41 5.541 -0.764 -18.184 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.797 0.929 -16.601 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.396 0.425 -18.452 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.193 -1.304 -18.822 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.633 -0.656 -17.262 1.00 0.00 H new ATOM 654 N ILE A 42 6.181 -2.091 -14.808 1.00 0.00 N ATOM 655 CA ILE A 42 7.358 -2.267 -13.973 1.00 0.00 C ATOM 656 C ILE A 42 7.478 -3.741 -13.576 1.00 0.00 C ATOM 657 O ILE A 42 6.481 -4.385 -13.257 1.00 0.00 O ATOM 658 CB ILE A 42 7.317 -1.310 -12.781 1.00 0.00 C ATOM 659 CG1 ILE A 42 6.766 0.056 -13.192 1.00 0.00 C ATOM 660 CG2 ILE A 42 8.693 -1.197 -12.121 1.00 0.00 C ATOM 661 CD1 ILE A 42 7.581 1.188 -12.568 1.00 0.00 C ATOM 0 H ILE A 42 5.404 -1.611 -14.354 1.00 0.00 H new ATOM 0 HA ILE A 42 8.261 -2.010 -14.526 1.00 0.00 H new ATOM 0 HB ILE A 42 6.635 -1.722 -12.037 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.784 0.147 -14.278 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.724 0.140 -12.882 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.636 -0.510 -11.276 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.010 -2.179 -11.770 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.415 -0.821 -12.846 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.167 2.148 -12.877 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.541 1.109 -11.482 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.617 1.116 -12.899 1.00 0.00 H new ATOM 673 N PRO A 43 8.742 -4.243 -13.608 1.00 0.00 N ATOM 674 CA PRO A 43 9.006 -5.627 -13.256 1.00 0.00 C ATOM 675 C PRO A 43 8.928 -5.831 -11.741 1.00 0.00 C ATOM 676 O PRO A 43 7.958 -6.396 -11.237 1.00 0.00 O ATOM 677 CB PRO A 43 10.385 -5.922 -13.824 1.00 0.00 C ATOM 678 CG PRO A 43 11.034 -4.568 -14.065 1.00 0.00 C ATOM 679 CD PRO A 43 9.948 -3.508 -13.982 1.00 0.00 C ATOM 0 HA PRO A 43 8.266 -6.314 -13.666 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.974 -6.520 -13.129 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.312 -6.491 -14.751 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.809 -4.379 -13.322 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.516 -4.545 -15.042 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.193 -2.746 -13.242 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.820 -2.996 -14.936 1.00 0.00 H new ATOM 687 N PHE A 44 9.961 -5.361 -11.059 1.00 0.00 N ATOM 688 CA PHE A 44 10.021 -5.485 -9.612 1.00 0.00 C ATOM 689 C PHE A 44 8.833 -4.784 -8.952 1.00 0.00 C ATOM 690 O PHE A 44 8.498 -5.069 -7.804 1.00 0.00 O ATOM 691 CB PHE A 44 11.315 -4.807 -9.158 1.00 0.00 C ATOM 692 CG PHE A 44 11.586 -3.463 -9.839 1.00 0.00 C ATOM 693 CD1 PHE A 44 10.858 -2.367 -9.494 1.00 0.00 C ATOM 694 CD2 PHE A 44 12.553 -3.365 -10.790 1.00 0.00 C ATOM 695 CE1 PHE A 44 11.109 -1.120 -10.126 1.00 0.00 C ATOM 696 CE2 PHE A 44 12.803 -2.119 -11.422 1.00 0.00 C ATOM 697 CZ PHE A 44 12.076 -1.022 -11.077 1.00 0.00 C ATOM 0 H PHE A 44 10.763 -4.894 -11.481 1.00 0.00 H new ATOM 0 HA PHE A 44 9.991 -6.537 -9.327 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.274 -4.654 -8.080 1.00 0.00 H new ATOM 0 HB3 PHE A 44 12.152 -5.477 -9.354 1.00 0.00 H new ATOM 0 HD1 PHE A 44 10.089 -2.445 -8.740 1.00 0.00 H new ATOM 0 HD2 PHE A 44 13.131 -4.235 -11.064 1.00 0.00 H new ATOM 0 HE1 PHE A 44 10.532 -0.250 -9.851 1.00 0.00 H new ATOM 0 HE2 PHE A 44 13.571 -2.042 -12.177 1.00 0.00 H new ATOM 0 HZ PHE A 44 12.267 -0.074 -11.558 1.00 0.00 H new ATOM 707 N GLY A 45 8.227 -3.878 -9.706 1.00 0.00 N ATOM 708 CA GLY A 45 7.083 -3.133 -9.209 1.00 0.00 C ATOM 709 C GLY A 45 5.999 -4.077 -8.687 1.00 0.00 C ATOM 710 O GLY A 45 5.465 -3.875 -7.598 1.00 0.00 O ATOM 0 H GLY A 45 8.507 -3.643 -10.658 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.401 -2.462 -8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.676 -2.511 -10.006 1.00 0.00 H new ATOM 714 N THR A 46 5.704 -5.089 -9.490 1.00 0.00 N ATOM 715 CA THR A 46 4.693 -6.066 -9.124 1.00 0.00 C ATOM 716 C THR A 46 5.216 -6.987 -8.020 1.00 0.00 C ATOM 717 O THR A 46 4.478 -7.343 -7.102 1.00 0.00 O ATOM 718 CB THR A 46 4.276 -6.813 -10.393 1.00 0.00 C ATOM 719 OG1 THR A 46 5.458 -7.499 -10.796 1.00 0.00 O ATOM 720 CG2 THR A 46 3.977 -5.868 -11.558 1.00 0.00 C ATOM 0 H THR A 46 6.148 -5.253 -10.393 1.00 0.00 H new ATOM 0 HA THR A 46 3.808 -5.583 -8.708 1.00 0.00 H new ATOM 0 HB THR A 46 3.395 -7.420 -10.184 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.175 -6.850 -10.954 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.686 -6.450 -12.433 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.164 -5.196 -11.282 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.867 -5.284 -11.790 1.00 0.00 H new ATOM 728 N ARG A 47 6.485 -7.347 -8.146 1.00 0.00 N ATOM 729 CA ARG A 47 7.115 -8.220 -7.170 1.00 0.00 C ATOM 730 C ARG A 47 7.161 -7.539 -5.800 1.00 0.00 C ATOM 731 O ARG A 47 6.848 -8.158 -4.785 1.00 0.00 O ATOM 732 CB ARG A 47 8.538 -8.587 -7.597 1.00 0.00 C ATOM 733 CG ARG A 47 8.534 -9.334 -8.932 1.00 0.00 C ATOM 734 CD ARG A 47 7.807 -10.675 -8.808 1.00 0.00 C ATOM 735 NE ARG A 47 6.389 -10.521 -9.201 1.00 0.00 N ATOM 736 CZ ARG A 47 5.616 -11.525 -9.634 1.00 0.00 C ATOM 737 NH1 ARG A 47 6.118 -12.763 -9.732 1.00 0.00 N ATOM 738 NH2 ARG A 47 4.339 -11.292 -9.970 1.00 0.00 N ATOM 0 H ARG A 47 7.094 -7.050 -8.909 1.00 0.00 H new ATOM 0 HA ARG A 47 6.520 -9.131 -7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.140 -7.683 -7.684 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.003 -9.207 -6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.050 -8.723 -9.693 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.559 -9.501 -9.262 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.290 -11.419 -9.441 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.871 -11.039 -7.783 1.00 0.00 H new ATOM 0 HE ARG A 47 5.974 -9.591 -9.138 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.089 -12.941 -9.477 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.529 -13.528 -10.062 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.956 -10.350 -9.896 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.751 -12.057 -10.300 1.00 0.00 H new ATOM 752 N GLU A 48 7.555 -6.275 -5.817 1.00 0.00 N ATOM 753 CA GLU A 48 7.646 -5.504 -4.588 1.00 0.00 C ATOM 754 C GLU A 48 6.247 -5.178 -4.061 1.00 0.00 C ATOM 755 O GLU A 48 6.009 -5.220 -2.855 1.00 0.00 O ATOM 756 CB GLU A 48 8.462 -4.227 -4.801 1.00 0.00 C ATOM 757 CG GLU A 48 9.631 -4.153 -3.818 1.00 0.00 C ATOM 758 CD GLU A 48 9.192 -4.567 -2.411 1.00 0.00 C ATOM 759 OE1 GLU A 48 8.682 -3.680 -1.692 1.00 0.00 O ATOM 760 OE2 GLU A 48 9.374 -5.760 -2.088 1.00 0.00 O ATOM 0 H GLU A 48 7.815 -5.765 -6.661 1.00 0.00 H new ATOM 0 HA GLU A 48 8.163 -6.107 -3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.839 -4.199 -5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.820 -3.355 -4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.438 -4.803 -4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.028 -3.138 -3.795 1.00 0.00 H new ATOM 768 N CYS A 49 5.358 -4.862 -4.990 1.00 0.00 N ATOM 769 CA CYS A 49 3.989 -4.529 -4.634 1.00 0.00 C ATOM 770 C CYS A 49 3.378 -5.727 -3.904 1.00 0.00 C ATOM 771 O CYS A 49 2.719 -5.563 -2.878 1.00 0.00 O ATOM 772 CB CYS A 49 3.167 -4.129 -5.861 1.00 0.00 C ATOM 773 SG CYS A 49 3.100 -2.330 -6.187 1.00 0.00 S ATOM 0 H CYS A 49 5.559 -4.829 -5.990 1.00 0.00 H new ATOM 0 HA CYS A 49 3.983 -3.661 -3.975 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.582 -4.627 -6.737 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.150 -4.499 -5.736 1.00 0.00 H new ATOM 778 N ASP A 50 3.618 -6.905 -4.462 1.00 0.00 N ATOM 779 CA ASP A 50 3.101 -8.129 -3.876 1.00 0.00 C ATOM 780 C ASP A 50 3.813 -8.395 -2.548 1.00 0.00 C ATOM 781 O ASP A 50 3.286 -9.099 -1.687 1.00 0.00 O ATOM 782 CB ASP A 50 3.349 -9.327 -4.795 1.00 0.00 C ATOM 783 CG ASP A 50 2.251 -10.392 -4.780 1.00 0.00 C ATOM 784 OD1 ASP A 50 1.817 -10.745 -3.663 1.00 0.00 O ATOM 785 OD2 ASP A 50 1.871 -10.829 -5.888 1.00 0.00 O ATOM 0 H ASP A 50 4.164 -7.037 -5.314 1.00 0.00 H new ATOM 0 HA ASP A 50 2.028 -8.005 -3.727 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.468 -8.964 -5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.292 -9.795 -4.511 1.00 0.00 H new ATOM 791 N HIS A 51 4.999 -7.818 -2.423 1.00 0.00 N ATOM 792 CA HIS A 51 5.788 -7.984 -1.214 1.00 0.00 C ATOM 793 C HIS A 51 5.546 -6.800 -0.276 1.00 0.00 C ATOM 794 O HIS A 51 6.204 -6.677 0.755 1.00 0.00 O ATOM 795 CB HIS A 51 7.268 -8.178 -1.555 1.00 0.00 C ATOM 796 CG HIS A 51 7.879 -9.420 -0.949 1.00 0.00 C ATOM 797 ND1 HIS A 51 8.065 -10.589 -1.665 1.00 0.00 N ATOM 798 CD2 HIS A 51 8.345 -9.659 0.310 1.00 0.00 C ATOM 799 CE1 HIS A 51 8.618 -11.487 -0.861 1.00 0.00 C ATOM 800 NE2 HIS A 51 8.790 -10.909 0.362 1.00 0.00 N ATOM 0 H HIS A 51 5.433 -7.235 -3.139 1.00 0.00 H new ATOM 0 HA HIS A 51 5.473 -8.887 -0.691 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.378 -8.223 -2.639 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.827 -7.307 -1.213 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.351 -8.952 1.126 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.885 -12.499 -1.128 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.194 -11.362 1.182 1.00 0.00 H new ATOM 809 N TYR A 52 4.600 -5.960 -0.669 1.00 0.00 N ATOM 810 CA TYR A 52 4.263 -4.790 0.124 1.00 0.00 C ATOM 811 C TYR A 52 2.949 -4.999 0.878 1.00 0.00 C ATOM 812 O TYR A 52 2.800 -4.546 2.012 1.00 0.00 O ATOM 813 CB TYR A 52 4.089 -3.642 -0.872 1.00 0.00 C ATOM 814 CG TYR A 52 4.054 -2.256 -0.224 1.00 0.00 C ATOM 815 CD1 TYR A 52 5.111 -1.830 0.554 1.00 0.00 C ATOM 816 CD2 TYR A 52 2.964 -1.431 -0.418 1.00 0.00 C ATOM 817 CE1 TYR A 52 5.077 -0.527 1.164 1.00 0.00 C ATOM 818 CE2 TYR A 52 2.930 -0.127 0.192 1.00 0.00 C ATOM 819 CZ TYR A 52 3.989 0.261 0.954 1.00 0.00 C ATOM 820 OH TYR A 52 3.957 1.492 1.529 1.00 0.00 O ATOM 0 H TYR A 52 4.057 -6.066 -1.526 1.00 0.00 H new ATOM 0 HA TYR A 52 5.040 -4.589 0.862 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.905 -3.674 -1.594 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.165 -3.795 -1.429 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.964 -2.475 0.705 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.137 -1.764 -1.027 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.898 -0.182 1.775 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.084 0.528 0.048 1.00 0.00 H new ATOM 0 HH TYR A 52 4.646 2.060 1.125 1.00 0.00 H new ATOM 830 N VAL A 53 2.027 -5.685 0.217 1.00 0.00 N ATOM 831 CA VAL A 53 0.730 -5.959 0.811 1.00 0.00 C ATOM 832 C VAL A 53 0.841 -7.178 1.729 1.00 0.00 C ATOM 833 O VAL A 53 0.055 -8.117 1.618 1.00 0.00 O ATOM 834 CB VAL A 53 -0.322 -6.132 -0.286 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.123 -5.105 -1.403 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.305 -7.557 -0.844 1.00 0.00 C ATOM 0 H VAL A 53 2.153 -6.059 -0.724 1.00 0.00 H new ATOM 0 HA VAL A 53 0.406 -5.118 1.424 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.301 -5.958 0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.884 -5.250 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.209 -4.099 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.866 -5.234 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.062 -7.652 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.677 -7.771 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.518 -8.264 -0.042 1.00 0.00 H new ATOM 846 N ASN A 54 1.825 -7.124 2.615 1.00 0.00 N ATOM 847 CA ASN A 54 2.049 -8.212 3.552 1.00 0.00 C ATOM 848 C ASN A 54 3.251 -7.876 4.437 1.00 0.00 C ATOM 849 O ASN A 54 4.140 -8.706 4.625 1.00 0.00 O ATOM 850 CB ASN A 54 2.354 -9.518 2.816 1.00 0.00 C ATOM 851 CG ASN A 54 1.916 -10.728 3.642 1.00 0.00 C ATOM 852 OD1 ASN A 54 0.761 -10.879 4.006 1.00 0.00 O ATOM 853 ND2 ASN A 54 2.899 -11.580 3.917 1.00 0.00 N ATOM 0 H ASN A 54 2.476 -6.344 2.704 1.00 0.00 H new ATOM 0 HA ASN A 54 1.145 -8.337 4.148 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.842 -9.525 1.854 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.422 -9.582 2.609 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.708 -12.420 4.463 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.844 -11.394 3.582 1.00 0.00 H new ATOM 860 N SER A 55 3.239 -6.658 4.959 1.00 0.00 N ATOM 861 CA SER A 55 4.317 -6.204 5.821 1.00 0.00 C ATOM 862 C SER A 55 4.276 -4.680 5.950 1.00 0.00 C ATOM 863 O SER A 55 4.709 -4.126 6.959 1.00 0.00 O ATOM 864 CB SER A 55 5.678 -6.655 5.287 1.00 0.00 C ATOM 865 OG SER A 55 6.095 -7.890 5.863 1.00 0.00 O ATOM 0 H SER A 55 2.500 -5.972 4.802 1.00 0.00 H new ATOM 0 HA SER A 55 4.178 -6.650 6.806 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.626 -6.760 4.203 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.423 -5.887 5.497 1.00 0.00 H new ATOM 0 HG SER A 55 5.486 -8.604 5.581 1.00 0.00 H new ATOM 871 N LYS A 56 3.753 -4.044 4.911 1.00 0.00 N ATOM 872 CA LYS A 56 3.650 -2.594 4.896 1.00 0.00 C ATOM 873 C LYS A 56 2.178 -2.193 4.785 1.00 0.00 C ATOM 874 O LYS A 56 1.854 -1.007 4.778 1.00 0.00 O ATOM 875 CB LYS A 56 4.532 -2.007 3.791 1.00 0.00 C ATOM 876 CG LYS A 56 5.925 -2.643 3.805 1.00 0.00 C ATOM 877 CD LYS A 56 6.917 -1.770 4.576 1.00 0.00 C ATOM 878 CE LYS A 56 8.081 -2.607 5.111 1.00 0.00 C ATOM 879 NZ LYS A 56 9.256 -1.749 5.384 1.00 0.00 N ATOM 0 H LYS A 56 3.396 -4.506 4.074 1.00 0.00 H new ATOM 0 HA LYS A 56 4.025 -2.175 5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.063 -2.171 2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.619 -0.929 3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.873 -3.631 4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.276 -2.782 2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.299 -0.984 3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.407 -1.278 5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.778 -3.120 6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.346 -3.377 4.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.036 -2.334 5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.554 -1.279 4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.004 -1.030 6.092 1.00 0.00 H new ATOM 893 N VAL A 57 1.327 -3.205 4.702 1.00 0.00 N ATOM 894 CA VAL A 57 -0.104 -2.972 4.592 1.00 0.00 C ATOM 895 C VAL A 57 -0.751 -3.148 5.966 1.00 0.00 C ATOM 896 O VAL A 57 -1.598 -2.350 6.364 1.00 0.00 O ATOM 897 CB VAL A 57 -0.703 -3.892 3.526 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.937 -4.619 4.062 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.036 -3.112 2.252 1.00 0.00 C ATOM 0 H VAL A 57 1.600 -4.188 4.709 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.302 -1.950 4.268 1.00 0.00 H new ATOM 0 HB VAL A 57 0.045 -4.643 3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.344 -5.266 3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.658 -5.221 4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.690 -3.888 4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.460 -3.790 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.758 -2.329 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.127 -2.661 1.853 1.00 0.00 H new ATOM 909 N ASP A 58 -0.327 -4.198 6.655 1.00 0.00 N ATOM 910 CA ASP A 58 -0.855 -4.489 7.977 1.00 0.00 C ATOM 911 C ASP A 58 -0.616 -3.287 8.893 1.00 0.00 C ATOM 912 O ASP A 58 -1.501 -2.892 9.649 1.00 0.00 O ATOM 913 CB ASP A 58 -0.156 -5.701 8.595 1.00 0.00 C ATOM 914 CG ASP A 58 -1.089 -6.830 9.036 1.00 0.00 C ATOM 915 OD1 ASP A 58 -2.147 -6.499 9.614 1.00 0.00 O ATOM 916 OD2 ASP A 58 -0.723 -7.999 8.786 1.00 0.00 O ATOM 0 H ASP A 58 0.376 -4.858 6.322 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.920 -4.700 7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.555 -6.099 7.871 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.420 -5.368 9.458 1.00 0.00 H new ATOM 922 N PRO A 59 0.619 -2.725 8.793 1.00 0.00 N ATOM 923 CA PRO A 59 0.986 -1.577 9.603 1.00 0.00 C ATOM 924 C PRO A 59 0.325 -0.300 9.078 1.00 0.00 C ATOM 925 O PRO A 59 -0.303 0.436 9.838 1.00 0.00 O ATOM 926 CB PRO A 59 2.504 -1.525 9.547 1.00 0.00 C ATOM 927 CG PRO A 59 2.905 -2.357 8.340 1.00 0.00 C ATOM 928 CD PRO A 59 1.694 -3.167 7.908 1.00 0.00 C ATOM 0 HA PRO A 59 0.641 -1.663 10.633 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.856 -0.498 9.448 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.943 -1.926 10.461 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.243 -1.713 7.528 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.736 -3.017 8.590 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.447 -2.983 6.862 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.876 -4.237 8.009 1.00 0.00 H new ATOM 936 N ILE A 60 0.488 -0.078 7.781 1.00 0.00 N ATOM 937 CA ILE A 60 -0.085 1.096 7.146 1.00 0.00 C ATOM 938 C ILE A 60 -1.558 1.218 7.544 1.00 0.00 C ATOM 939 O ILE A 60 -2.023 2.303 7.889 1.00 0.00 O ATOM 940 CB ILE A 60 0.141 1.051 5.634 1.00 0.00 C ATOM 941 CG1 ILE A 60 1.559 1.502 5.278 1.00 0.00 C ATOM 942 CG2 ILE A 60 -0.922 1.866 4.895 1.00 0.00 C ATOM 943 CD1 ILE A 60 1.781 1.474 3.764 1.00 0.00 C ATOM 0 H ILE A 60 1.008 -0.691 7.154 1.00 0.00 H new ATOM 0 HA ILE A 60 0.416 2.000 7.493 1.00 0.00 H new ATOM 0 HB ILE A 60 0.039 0.017 5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.729 2.510 5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.285 0.852 5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.737 1.817 3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.909 1.458 5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.878 2.904 5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.797 1.799 3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.634 0.459 3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.070 2.143 3.280 1.00 0.00 H new ATOM 955 N ILE A 61 -2.250 0.090 7.481 1.00 0.00 N ATOM 956 CA ILE A 61 -3.660 0.057 7.831 1.00 0.00 C ATOM 957 C ILE A 61 -3.808 0.180 9.349 1.00 0.00 C ATOM 958 O ILE A 61 -4.883 0.513 9.846 1.00 0.00 O ATOM 959 CB ILE A 61 -4.327 -1.190 7.247 1.00 0.00 C ATOM 960 CG1 ILE A 61 -4.095 -1.280 5.738 1.00 0.00 C ATOM 961 CG2 ILE A 61 -5.815 -1.232 7.602 1.00 0.00 C ATOM 962 CD1 ILE A 61 -4.597 -2.615 5.184 1.00 0.00 C ATOM 0 H ILE A 61 -1.861 -0.808 7.193 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.182 0.906 7.390 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.863 -2.068 7.696 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.608 -0.459 5.238 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.032 -1.170 5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.266 -2.128 7.175 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.930 -1.249 8.686 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.310 -0.349 7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.420 -2.653 4.109 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.064 -3.433 5.668 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.665 -2.711 5.379 1.00 0.00 H new ATOM 974 N HIS A 62 -2.713 -0.096 10.042 1.00 0.00 N ATOM 975 CA HIS A 62 -2.707 -0.019 11.494 1.00 0.00 C ATOM 976 C HIS A 62 -2.794 1.443 11.931 1.00 0.00 C ATOM 977 O HIS A 62 -3.301 1.744 13.012 1.00 0.00 O ATOM 978 CB HIS A 62 -1.488 -0.740 12.070 1.00 0.00 C ATOM 979 CG HIS A 62 -0.326 0.173 12.382 1.00 0.00 C ATOM 980 ND1 HIS A 62 0.992 -0.245 12.328 1.00 0.00 N ATOM 981 CD2 HIS A 62 -0.298 1.486 12.751 1.00 0.00 C ATOM 982 CE1 HIS A 62 1.769 0.777 12.654 1.00 0.00 C ATOM 983 NE2 HIS A 62 0.968 1.850 12.915 1.00 0.00 N ATOM 0 H HIS A 62 -1.824 -0.373 9.626 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.582 -0.532 11.893 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.783 -1.260 12.981 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.160 -1.500 11.361 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.160 2.122 12.887 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.848 0.763 12.704 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.289 2.778 13.191 1.00 0.00 H new ATOM 992 N GLU A 63 -2.292 2.316 11.070 1.00 0.00 N ATOM 993 CA GLU A 63 -2.306 3.741 11.354 1.00 0.00 C ATOM 994 C GLU A 63 -3.674 4.337 11.017 1.00 0.00 C ATOM 995 O GLU A 63 -4.286 5.006 11.847 1.00 0.00 O ATOM 996 CB GLU A 63 -1.191 4.463 10.595 1.00 0.00 C ATOM 997 CG GLU A 63 -0.066 4.883 11.542 1.00 0.00 C ATOM 998 CD GLU A 63 -0.534 5.986 12.494 1.00 0.00 C ATOM 999 OE1 GLU A 63 -1.545 5.745 13.187 1.00 0.00 O ATOM 1000 OE2 GLU A 63 0.132 7.044 12.508 1.00 0.00 O ATOM 0 H GLU A 63 -1.873 2.064 10.175 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.124 3.880 12.420 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.793 3.810 9.819 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.597 5.342 10.095 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.271 4.021 12.117 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.788 5.235 10.964 1.00 0.00 H new ATOM 1008 N LEU A 64 -4.115 4.071 9.795 1.00 0.00 N ATOM 1009 CA LEU A 64 -5.398 4.571 9.336 1.00 0.00 C ATOM 1010 C LEU A 64 -6.506 4.026 10.241 1.00 0.00 C ATOM 1011 O LEU A 64 -7.437 4.749 10.593 1.00 0.00 O ATOM 1012 CB LEU A 64 -5.602 4.250 7.855 1.00 0.00 C ATOM 1013 CG LEU A 64 -4.460 4.653 6.919 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -4.371 3.703 5.723 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -4.597 6.113 6.482 1.00 0.00 C ATOM 0 H LEU A 64 -3.605 3.515 9.109 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.430 5.658 9.409 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.766 3.177 7.755 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.513 4.744 7.518 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.522 4.569 7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.552 4.011 5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.191 2.688 6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.307 3.732 5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.773 6.373 5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.543 6.248 5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.573 6.759 7.359 1.00 0.00 H new ATOM 1027 N GLU A 65 -6.367 2.757 10.593 1.00 0.00 N ATOM 1028 CA GLU A 65 -7.345 2.107 11.450 1.00 0.00 C ATOM 1029 C GLU A 65 -7.247 2.653 12.875 1.00 0.00 C ATOM 1030 O GLU A 65 -8.221 2.615 13.627 1.00 0.00 O ATOM 1031 CB GLU A 65 -7.165 0.587 11.431 1.00 0.00 C ATOM 1032 CG GLU A 65 -6.021 0.160 12.353 1.00 0.00 C ATOM 1033 CD GLU A 65 -6.491 0.071 13.806 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -7.652 -0.351 14.002 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -5.680 0.426 14.688 1.00 0.00 O ATOM 0 H GLU A 65 -5.592 2.161 10.301 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.341 2.327 11.065 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.090 0.103 11.745 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.961 0.254 10.413 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.633 -0.807 12.033 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.201 0.874 12.275 1.00 0.00 H new ATOM 1043 N GLY A 66 -6.063 3.149 13.205 1.00 0.00 N ATOM 1044 CA GLY A 66 -5.827 3.703 14.528 1.00 0.00 C ATOM 1045 C GLY A 66 -6.435 5.101 14.654 1.00 0.00 C ATOM 1046 O GLY A 66 -6.972 5.456 15.702 1.00 0.00 O ATOM 0 H GLY A 66 -5.258 3.179 12.580 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.258 3.046 15.283 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.755 3.750 14.720 1.00 0.00 H new ATOM 1050 N GLY A 67 -6.332 5.857 13.570 1.00 0.00 N ATOM 1051 CA GLY A 67 -6.865 7.208 13.547 1.00 0.00 C ATOM 1052 C GLY A 67 -6.003 8.123 12.674 1.00 0.00 C ATOM 1053 O GLY A 67 -6.441 9.202 12.278 1.00 0.00 O ATOM 0 H GLY A 67 -5.887 5.559 12.702 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.886 7.193 13.167 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.908 7.603 14.562 1.00 0.00 H new ATOM 1057 N THR A 68 -4.793 7.658 12.400 1.00 0.00 N ATOM 1058 CA THR A 68 -3.866 8.420 11.582 1.00 0.00 C ATOM 1059 C THR A 68 -4.415 8.581 10.163 1.00 0.00 C ATOM 1060 O THR A 68 -5.225 7.772 9.712 1.00 0.00 O ATOM 1061 CB THR A 68 -2.506 7.722 11.632 1.00 0.00 C ATOM 1062 OG1 THR A 68 -1.961 8.114 12.889 1.00 0.00 O ATOM 1063 CG2 THR A 68 -1.521 8.284 10.606 1.00 0.00 C ATOM 0 H THR A 68 -4.433 6.762 12.730 1.00 0.00 H new ATOM 0 HA THR A 68 -3.741 9.433 11.965 1.00 0.00 H new ATOM 0 HB THR A 68 -2.639 6.654 11.459 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.992 8.229 12.804 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.572 7.754 10.684 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.927 8.155 9.603 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.361 9.345 10.799 1.00 0.00 H new ATOM 1071 N ALA A 69 -3.952 9.629 9.499 1.00 0.00 N ATOM 1072 CA ALA A 69 -4.386 9.906 8.139 1.00 0.00 C ATOM 1073 C ALA A 69 -3.521 9.111 7.160 1.00 0.00 C ATOM 1074 O ALA A 69 -2.499 8.547 7.547 1.00 0.00 O ATOM 1075 CB ALA A 69 -4.325 11.413 7.881 1.00 0.00 C ATOM 0 H ALA A 69 -3.280 10.297 9.877 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.420 9.592 7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.650 11.621 6.862 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.980 11.929 8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.302 11.764 8.014 1.00 0.00 H new ATOM 1081 N PRO A 70 -3.975 9.090 5.878 1.00 0.00 N ATOM 1082 CA PRO A 70 -3.253 8.374 4.840 1.00 0.00 C ATOM 1083 C PRO A 70 -1.995 9.137 4.420 1.00 0.00 C ATOM 1084 O PRO A 70 -1.092 8.564 3.813 1.00 0.00 O ATOM 1085 CB PRO A 70 -4.253 8.208 3.708 1.00 0.00 C ATOM 1086 CG PRO A 70 -5.343 9.237 3.962 1.00 0.00 C ATOM 1087 CD PRO A 70 -5.181 9.748 5.384 1.00 0.00 C ATOM 0 HA PRO A 70 -2.887 7.404 5.176 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.779 8.372 2.740 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.664 7.199 3.695 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.265 10.059 3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.328 8.790 3.827 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.078 10.833 5.406 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.048 9.498 5.996 1.00 0.00 H new ATOM 1095 N LYS A 71 -1.976 10.417 4.760 1.00 0.00 N ATOM 1096 CA LYS A 71 -0.844 11.264 4.426 1.00 0.00 C ATOM 1097 C LYS A 71 0.062 11.404 5.651 1.00 0.00 C ATOM 1098 O LYS A 71 0.978 12.224 5.659 1.00 0.00 O ATOM 1099 CB LYS A 71 -1.325 12.602 3.860 1.00 0.00 C ATOM 1100 CG LYS A 71 -1.616 13.599 4.983 1.00 0.00 C ATOM 1101 CD LYS A 71 -2.656 14.632 4.544 1.00 0.00 C ATOM 1102 CE LYS A 71 -4.072 14.063 4.653 1.00 0.00 C ATOM 1103 NZ LYS A 71 -4.861 14.823 5.649 1.00 0.00 N ATOM 0 H LYS A 71 -2.727 10.889 5.264 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.246 10.807 3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.567 13.012 3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.225 12.447 3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.977 13.066 5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.695 14.105 5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.570 15.525 5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.460 14.936 3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.564 14.107 3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.027 13.013 4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.819 14.424 5.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.399 14.760 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.919 15.820 5.358 1.00 0.00 H new ATOM 1117 N ASP A 72 -0.226 10.591 6.657 1.00 0.00 N ATOM 1118 CA ASP A 72 0.550 10.614 7.884 1.00 0.00 C ATOM 1119 C ASP A 72 1.265 9.272 8.054 1.00 0.00 C ATOM 1120 O ASP A 72 2.407 9.227 8.510 1.00 0.00 O ATOM 1121 CB ASP A 72 -0.350 10.829 9.102 1.00 0.00 C ATOM 1122 CG ASP A 72 -0.686 12.290 9.408 1.00 0.00 C ATOM 1123 OD1 ASP A 72 0.121 13.154 9.004 1.00 0.00 O ATOM 1124 OD2 ASP A 72 -1.742 12.509 10.039 1.00 0.00 O ATOM 0 H ASP A 72 -0.987 9.912 6.647 1.00 0.00 H new ATOM 0 HA ASP A 72 1.265 11.434 7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.280 10.282 8.948 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.135 10.393 9.975 1.00 0.00 H new ATOM 1130 N VAL A 73 0.564 8.213 7.680 1.00 0.00 N ATOM 1131 CA VAL A 73 1.118 6.873 7.786 1.00 0.00 C ATOM 1132 C VAL A 73 2.437 6.808 7.014 1.00 0.00 C ATOM 1133 O VAL A 73 3.434 6.301 7.524 1.00 0.00 O ATOM 1134 CB VAL A 73 0.092 5.844 7.306 1.00 0.00 C ATOM 1135 CG1 VAL A 73 0.451 4.441 7.800 1.00 0.00 C ATOM 1136 CG2 VAL A 73 -1.322 6.234 7.740 1.00 0.00 C ATOM 0 H VAL A 73 -0.383 8.255 7.303 1.00 0.00 H new ATOM 0 HA VAL A 73 1.339 6.632 8.826 1.00 0.00 H new ATOM 0 HB VAL A 73 0.115 5.832 6.216 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.294 3.729 7.445 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.432 4.161 7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.470 4.433 8.890 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.031 5.486 7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.366 6.290 8.828 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.578 7.205 7.316 1.00 0.00 H new ATOM 1146 N CYS A 74 2.399 7.329 5.796 1.00 0.00 N ATOM 1147 CA CYS A 74 3.579 7.336 4.949 1.00 0.00 C ATOM 1148 C CYS A 74 4.454 8.526 5.353 1.00 0.00 C ATOM 1149 O CYS A 74 4.762 9.383 4.527 1.00 0.00 O ATOM 1150 CB CYS A 74 3.209 7.378 3.464 1.00 0.00 C ATOM 1151 SG CYS A 74 1.501 6.846 3.084 1.00 0.00 S ATOM 0 H CYS A 74 1.570 7.749 5.376 1.00 0.00 H new ATOM 0 HA CYS A 74 4.137 6.411 5.091 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.348 8.395 3.098 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.903 6.744 2.913 1.00 0.00 H new ATOM 1156 N THR A 75 4.828 8.539 6.623 1.00 0.00 N ATOM 1157 CA THR A 75 5.660 9.608 7.148 1.00 0.00 C ATOM 1158 C THR A 75 6.410 9.138 8.395 1.00 0.00 C ATOM 1159 O THR A 75 7.639 9.160 8.430 1.00 0.00 O ATOM 1160 CB THR A 75 4.765 10.824 7.398 1.00 0.00 C ATOM 1161 OG1 THR A 75 5.318 11.840 6.566 1.00 0.00 O ATOM 1162 CG2 THR A 75 4.917 11.380 8.816 1.00 0.00 C ATOM 0 H THR A 75 4.570 7.826 7.305 1.00 0.00 H new ATOM 0 HA THR A 75 6.432 9.896 6.434 1.00 0.00 H new ATOM 0 HB THR A 75 3.724 10.551 7.224 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.797 12.664 6.665 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.261 12.241 8.941 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.648 10.610 9.539 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.951 11.685 8.978 1.00 0.00 H new ATOM 1170 N LYS A 76 5.638 8.724 9.390 1.00 0.00 N ATOM 1171 CA LYS A 76 6.214 8.249 10.636 1.00 0.00 C ATOM 1172 C LYS A 76 6.692 6.807 10.456 1.00 0.00 C ATOM 1173 O LYS A 76 7.736 6.425 10.982 1.00 0.00 O ATOM 1174 CB LYS A 76 5.223 8.430 11.787 1.00 0.00 C ATOM 1175 CG LYS A 76 5.153 9.894 12.226 1.00 0.00 C ATOM 1176 CD LYS A 76 3.706 10.392 12.246 1.00 0.00 C ATOM 1177 CE LYS A 76 3.524 11.505 13.279 1.00 0.00 C ATOM 1178 NZ LYS A 76 2.388 12.377 12.907 1.00 0.00 N ATOM 0 H LYS A 76 4.619 8.708 9.358 1.00 0.00 H new ATOM 0 HA LYS A 76 7.088 8.843 10.902 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.234 8.092 11.477 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.522 7.808 12.630 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.592 10.001 13.218 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.744 10.509 11.548 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.430 10.760 11.258 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.036 9.564 12.476 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.349 11.071 14.263 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.437 12.097 13.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.279 13.127 13.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.570 12.806 11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.516 11.812 12.863 1.00 0.00 H new ATOM 1192 N LEU A 77 5.904 6.046 9.710 1.00 0.00 N ATOM 1193 CA LEU A 77 6.233 4.654 9.455 1.00 0.00 C ATOM 1194 C LEU A 77 7.493 4.583 8.589 1.00 0.00 C ATOM 1195 O LEU A 77 8.031 3.502 8.357 1.00 0.00 O ATOM 1196 CB LEU A 77 5.032 3.921 8.854 1.00 0.00 C ATOM 1197 CG LEU A 77 3.945 3.494 9.841 1.00 0.00 C ATOM 1198 CD1 LEU A 77 4.205 2.081 10.366 1.00 0.00 C ATOM 1199 CD2 LEU A 77 3.803 4.510 10.975 1.00 0.00 C ATOM 0 H LEU A 77 5.039 6.367 9.274 1.00 0.00 H new ATOM 0 HA LEU A 77 6.457 4.138 10.389 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.578 4.565 8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.395 3.033 8.337 1.00 0.00 H new ATOM 0 HG LEU A 77 2.993 3.470 9.310 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.417 1.802 11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.215 1.379 9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.169 2.053 10.875 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.023 4.182 11.662 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.749 4.591 11.511 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.536 5.482 10.561 1.00 0.00 H new ATOM 1211 N ASN A 78 7.927 5.751 8.135 1.00 0.00 N ATOM 1212 CA ASN A 78 9.112 5.834 7.299 1.00 0.00 C ATOM 1213 C ASN A 78 8.867 5.074 5.994 1.00 0.00 C ATOM 1214 O ASN A 78 9.781 4.458 5.449 1.00 0.00 O ATOM 1215 CB ASN A 78 10.320 5.203 7.994 1.00 0.00 C ATOM 1216 CG ASN A 78 11.626 5.826 7.497 1.00 0.00 C ATOM 1217 OD1 ASN A 78 11.667 6.947 7.017 1.00 0.00 O ATOM 1218 ND2 ASN A 78 12.689 5.039 7.637 1.00 0.00 N ATOM 0 H ASN A 78 7.479 6.646 8.331 1.00 0.00 H new ATOM 0 HA ASN A 78 9.315 6.887 7.106 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.235 5.339 9.072 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.331 4.129 7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.607 5.364 7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.586 4.111 8.047 1.00 0.00 H new ATOM 1225 N GLU A 79 7.628 5.143 5.531 1.00 0.00 N ATOM 1226 CA GLU A 79 7.250 4.469 4.300 1.00 0.00 C ATOM 1227 C GLU A 79 6.728 5.483 3.279 1.00 0.00 C ATOM 1228 O GLU A 79 5.539 5.496 2.966 1.00 0.00 O ATOM 1229 CB GLU A 79 6.214 3.377 4.568 1.00 0.00 C ATOM 1230 CG GLU A 79 4.943 3.967 5.184 1.00 0.00 C ATOM 1231 CD GLU A 79 4.134 2.889 5.909 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.279 1.711 5.517 1.00 0.00 O ATOM 1233 OE2 GLU A 79 3.389 3.267 6.838 1.00 0.00 O ATOM 0 H GLU A 79 6.872 5.655 5.986 1.00 0.00 H new ATOM 0 HA GLU A 79 8.136 3.988 3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.968 2.867 3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.635 2.629 5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.208 4.760 5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.333 4.421 4.403 1.00 0.00 H new