USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, 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 25 ASN : amide:sc= -0.444 K(o=-0.44,f=-2.8!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -35:sc= 0.0726 USER MOD Single : A 7 GLN : amide:sc= -0.0596 X(o=-0.06,f=0) USER MOD Single : A 8 MET CE :methyl -120:sc= -5.39! (180deg=-13.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -108:sc= -2.79 (180deg=-7.11!) USER MOD Single : A 16 TYR OH : rot 30:sc= -1.42 USER MOD Single : A 19 SER OG : rot 51:sc= 0.658 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00766) 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 HE2:sc= -8.46! C(o=-8.5!,f=-9.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 51 HIS : no HD1:sc= -0.377 K(o=-0.38,f=-1.4!) USER MOD Single : A 52 TYR OH : rot 1:sc= -4.61! USER MOD Single : A 54 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.025) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -9.47! C(o=-10!,f=-9.5!) USER MOD Single : A 68 THR OG1 : rot -149:sc= -1.53! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 117:sc= 1.26 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.421 K(o=-0.42,f=-2) USER MOD ----------------------------------------------------------------- ATOM 65 N SER A 5 2.512 -7.912 -3.865 1.00 0.00 N ATOM 66 CA SER A 5 2.550 -7.238 -2.579 1.00 0.00 C ATOM 67 C SER A 5 3.316 -5.919 -2.701 1.00 0.00 C ATOM 68 O SER A 5 2.757 -4.848 -2.468 1.00 0.00 O ATOM 69 CB SER A 5 3.190 -8.126 -1.510 1.00 0.00 C ATOM 70 OG SER A 5 4.461 -8.624 -1.920 1.00 0.00 O ATOM 0 HA SER A 5 1.525 -7.029 -2.273 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.304 -7.557 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.527 -8.963 -1.289 1.00 0.00 H new ATOM 0 HG SER A 5 4.450 -8.795 -2.885 1.00 0.00 H new ATOM 76 N CYS A 6 4.583 -6.039 -3.067 1.00 0.00 N ATOM 77 CA CYS A 6 5.431 -4.871 -3.224 1.00 0.00 C ATOM 78 C CYS A 6 4.604 -3.760 -3.874 1.00 0.00 C ATOM 79 O CYS A 6 4.408 -2.699 -3.283 1.00 0.00 O ATOM 80 CB CYS A 6 6.692 -5.190 -4.030 1.00 0.00 C ATOM 81 SG CYS A 6 7.840 -3.781 -4.250 1.00 0.00 S ATOM 0 H CYS A 6 5.043 -6.929 -3.260 1.00 0.00 H new ATOM 0 HA CYS A 6 5.779 -4.539 -2.246 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.226 -6.002 -3.536 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.395 -5.555 -5.013 1.00 0.00 H new ATOM 86 N GLN A 7 4.141 -4.043 -5.083 1.00 0.00 N ATOM 87 CA GLN A 7 3.338 -3.081 -5.820 1.00 0.00 C ATOM 88 C GLN A 7 2.411 -2.322 -4.868 1.00 0.00 C ATOM 89 O GLN A 7 2.406 -1.092 -4.850 1.00 0.00 O ATOM 90 CB GLN A 7 2.540 -3.769 -6.929 1.00 0.00 C ATOM 91 CG GLN A 7 2.911 -3.205 -8.302 1.00 0.00 C ATOM 92 CD GLN A 7 2.936 -4.309 -9.361 1.00 0.00 C ATOM 93 OE1 GLN A 7 2.133 -4.341 -10.280 1.00 0.00 O ATOM 94 NE2 GLN A 7 3.897 -5.209 -9.181 1.00 0.00 N ATOM 0 H GLN A 7 4.306 -4.924 -5.570 1.00 0.00 H new ATOM 0 HA GLN A 7 4.009 -2.363 -6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.732 -4.842 -6.908 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.473 -3.633 -6.752 1.00 0.00 H new ATOM 0 HG2 GLN A 7 2.193 -2.437 -8.589 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.888 -2.724 -8.250 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.535 -5.122 -8.390 1.00 0.00 H new ATOM 0 HE22 GLN A 7 3.996 -5.987 -9.834 1.00 0.00 H new ATOM 103 N MET A 8 1.651 -3.086 -4.099 1.00 0.00 N ATOM 104 CA MET A 8 0.722 -2.501 -3.147 1.00 0.00 C ATOM 105 C MET A 8 1.383 -1.368 -2.361 1.00 0.00 C ATOM 106 O MET A 8 0.812 -0.289 -2.220 1.00 0.00 O ATOM 107 CB MET A 8 0.237 -3.581 -2.177 1.00 0.00 C ATOM 108 CG MET A 8 -0.429 -4.735 -2.929 1.00 0.00 C ATOM 109 SD MET A 8 -1.610 -5.554 -1.869 1.00 0.00 S ATOM 110 CE MET A 8 -2.178 -6.836 -2.973 1.00 0.00 C ATOM 0 H MET A 8 1.659 -4.106 -4.115 1.00 0.00 H new ATOM 0 HA MET A 8 -0.123 -2.090 -3.699 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.079 -3.958 -1.597 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.469 -3.148 -1.469 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.929 -4.358 -3.821 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.326 -5.446 -3.263 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.252 -6.732 -3.130 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.661 -6.748 -3.929 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.969 -7.812 -2.535 1.00 0.00 H new ATOM 120 N CYS A 9 2.582 -1.653 -1.870 1.00 0.00 N ATOM 121 CA CYS A 9 3.327 -0.671 -1.101 1.00 0.00 C ATOM 122 C CYS A 9 3.466 0.596 -1.947 1.00 0.00 C ATOM 123 O CYS A 9 3.449 1.706 -1.416 1.00 0.00 O ATOM 124 CB CYS A 9 4.688 -1.214 -0.659 1.00 0.00 C ATOM 125 SG CYS A 9 6.038 0.021 -0.640 1.00 0.00 S ATOM 0 H CYS A 9 3.054 -2.549 -1.990 1.00 0.00 H new ATOM 0 HA CYS A 9 2.787 -0.437 -0.184 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.587 -1.637 0.341 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.971 -2.030 -1.323 1.00 0.00 H new ATOM 130 N GLU A 10 3.600 0.389 -3.249 1.00 0.00 N ATOM 131 CA GLU A 10 3.741 1.501 -4.173 1.00 0.00 C ATOM 132 C GLU A 10 2.379 2.141 -4.446 1.00 0.00 C ATOM 133 O GLU A 10 2.292 3.160 -5.130 1.00 0.00 O ATOM 134 CB GLU A 10 4.406 1.050 -5.476 1.00 0.00 C ATOM 135 CG GLU A 10 5.301 2.153 -6.043 1.00 0.00 C ATOM 136 CD GLU A 10 6.780 1.817 -5.843 1.00 0.00 C ATOM 137 OE1 GLU A 10 7.142 1.524 -4.683 1.00 0.00 O ATOM 138 OE2 GLU A 10 7.515 1.861 -6.853 1.00 0.00 O ATOM 0 H GLU A 10 3.614 -0.533 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 10 4.386 2.250 -3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.998 0.153 -5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.641 0.785 -6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.095 2.283 -7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.070 3.100 -5.555 1.00 0.00 H new ATOM 146 N LEU A 11 1.346 1.517 -3.897 1.00 0.00 N ATOM 147 CA LEU A 11 -0.008 2.013 -4.073 1.00 0.00 C ATOM 148 C LEU A 11 -0.369 2.923 -2.897 1.00 0.00 C ATOM 149 O LEU A 11 -0.947 3.992 -3.090 1.00 0.00 O ATOM 150 CB LEU A 11 -0.983 0.850 -4.273 1.00 0.00 C ATOM 151 CG LEU A 11 -2.457 1.230 -4.431 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.683 2.019 -5.722 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.353 -0.007 -4.351 1.00 0.00 C ATOM 0 H LEU A 11 1.420 0.672 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.079 2.617 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.675 0.292 -5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.892 0.175 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.733 1.882 -3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.738 2.277 -5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.087 2.931 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.385 1.412 -6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.395 0.291 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.084 -0.703 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.219 -0.492 -3.384 1.00 0.00 H new ATOM 165 N VAL A 12 -0.016 2.465 -1.705 1.00 0.00 N ATOM 166 CA VAL A 12 -0.295 3.226 -0.499 1.00 0.00 C ATOM 167 C VAL A 12 0.617 4.453 -0.451 1.00 0.00 C ATOM 168 O VAL A 12 0.162 5.559 -0.162 1.00 0.00 O ATOM 169 CB VAL A 12 -0.154 2.326 0.731 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.945 1.029 0.556 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.319 2.034 1.029 1.00 0.00 C ATOM 0 H VAL A 12 0.461 1.577 -1.549 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.323 3.588 -0.505 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.571 2.859 1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.827 0.408 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.000 1.263 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.572 0.490 -0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.392 1.393 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.770 1.531 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.844 2.970 1.218 1.00 0.00 H new ATOM 181 N VAL A 13 1.889 4.216 -0.738 1.00 0.00 N ATOM 182 CA VAL A 13 2.869 5.289 -0.731 1.00 0.00 C ATOM 183 C VAL A 13 2.490 6.328 -1.787 1.00 0.00 C ATOM 184 O VAL A 13 2.262 7.492 -1.464 1.00 0.00 O ATOM 185 CB VAL A 13 4.273 4.716 -0.933 1.00 0.00 C ATOM 186 CG1 VAL A 13 4.619 3.710 0.167 1.00 0.00 C ATOM 187 CG2 VAL A 13 4.412 4.082 -2.318 1.00 0.00 C ATOM 0 H VAL A 13 2.263 3.298 -0.977 1.00 0.00 H new ATOM 0 HA VAL A 13 2.874 5.795 0.235 1.00 0.00 H new ATOM 0 HB VAL A 13 4.983 5.540 -0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.622 3.318 -0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.580 4.204 1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.901 2.890 0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.419 3.682 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.687 3.275 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.229 4.836 -3.083 1.00 0.00 H new ATOM 197 N LYS A 14 2.434 5.869 -3.029 1.00 0.00 N ATOM 198 CA LYS A 14 2.086 6.745 -4.135 1.00 0.00 C ATOM 199 C LYS A 14 0.840 7.554 -3.767 1.00 0.00 C ATOM 200 O LYS A 14 0.684 8.692 -4.206 1.00 0.00 O ATOM 201 CB LYS A 14 1.936 5.940 -5.428 1.00 0.00 C ATOM 202 CG LYS A 14 0.587 5.220 -5.473 1.00 0.00 C ATOM 203 CD LYS A 14 0.375 4.537 -6.825 1.00 0.00 C ATOM 204 CE LYS A 14 -0.380 5.452 -7.790 1.00 0.00 C ATOM 205 NZ LYS A 14 0.342 5.556 -9.078 1.00 0.00 N ATOM 0 H LYS A 14 2.624 4.902 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 14 2.887 7.460 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.026 6.605 -6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.744 5.212 -5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.540 4.478 -4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.217 5.934 -5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.339 4.266 -7.255 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.183 3.611 -6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.384 5.062 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.493 6.442 -7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.184 6.181 -9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.291 5.948 -8.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.427 4.612 -9.505 1.00 0.00 H new ATOM 219 N LYS A 15 -0.013 6.935 -2.964 1.00 0.00 N ATOM 220 CA LYS A 15 -1.238 7.584 -2.532 1.00 0.00 C ATOM 221 C LYS A 15 -0.916 8.589 -1.425 1.00 0.00 C ATOM 222 O LYS A 15 -1.515 9.661 -1.361 1.00 0.00 O ATOM 223 CB LYS A 15 -2.283 6.542 -2.131 1.00 0.00 C ATOM 224 CG LYS A 15 -2.945 5.924 -3.365 1.00 0.00 C ATOM 225 CD LYS A 15 -3.757 6.970 -4.132 1.00 0.00 C ATOM 226 CE LYS A 15 -4.760 6.300 -5.074 1.00 0.00 C ATOM 227 NZ LYS A 15 -6.037 7.050 -5.088 1.00 0.00 N ATOM 0 H LYS A 15 0.120 5.991 -2.602 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.681 8.147 -3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.811 5.759 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.042 7.007 -1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.182 5.500 -4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.596 5.104 -3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.286 7.613 -3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.085 7.609 -4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.347 6.254 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.938 5.273 -4.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.765 6.505 -4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.905 7.969 -4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.339 7.203 -6.071 1.00 0.00 H new ATOM 241 N TYR A 16 0.031 8.207 -0.580 1.00 0.00 N ATOM 242 CA TYR A 16 0.441 9.062 0.520 1.00 0.00 C ATOM 243 C TYR A 16 1.480 10.086 0.062 1.00 0.00 C ATOM 244 O TYR A 16 1.176 11.272 -0.059 1.00 0.00 O ATOM 245 CB TYR A 16 1.079 8.136 1.558 1.00 0.00 C ATOM 246 CG TYR A 16 1.666 8.866 2.767 1.00 0.00 C ATOM 247 CD1 TYR A 16 1.416 10.212 2.949 1.00 0.00 C ATOM 248 CD2 TYR A 16 2.447 8.181 3.676 1.00 0.00 C ATOM 249 CE1 TYR A 16 1.969 10.899 4.087 1.00 0.00 C ATOM 250 CE2 TYR A 16 2.999 8.869 4.814 1.00 0.00 C ATOM 251 CZ TYR A 16 2.733 10.194 4.963 1.00 0.00 C ATOM 252 OH TYR A 16 3.255 10.844 6.038 1.00 0.00 O ATOM 0 H TYR A 16 0.526 7.317 -0.636 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.413 9.611 0.917 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.329 7.425 1.905 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.868 7.558 1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.806 10.749 2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.644 7.129 3.534 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.781 11.951 4.241 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.611 8.344 5.533 1.00 0.00 H new ATOM 0 HH TYR A 16 2.659 11.577 6.298 1.00 0.00 H new ATOM 262 N GLU A 17 2.685 9.592 -0.181 1.00 0.00 N ATOM 263 CA GLU A 17 3.770 10.451 -0.624 1.00 0.00 C ATOM 264 C GLU A 17 3.269 11.439 -1.678 1.00 0.00 C ATOM 265 O GLU A 17 3.754 12.567 -1.758 1.00 0.00 O ATOM 266 CB GLU A 17 4.940 9.623 -1.160 1.00 0.00 C ATOM 267 CG GLU A 17 4.650 9.118 -2.575 1.00 0.00 C ATOM 268 CD GLU A 17 4.842 10.232 -3.606 1.00 0.00 C ATOM 269 OE1 GLU A 17 5.805 11.010 -3.429 1.00 0.00 O ATOM 270 OE2 GLU A 17 4.020 10.281 -4.547 1.00 0.00 O ATOM 0 H GLU A 17 2.934 8.608 -0.080 1.00 0.00 H new ATOM 0 HA GLU A 17 4.132 11.018 0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.847 10.228 -1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.125 8.777 -0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.311 8.283 -2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.629 8.741 -2.628 1.00 0.00 H new ATOM 278 N GLY A 18 2.304 10.982 -2.462 1.00 0.00 N ATOM 279 CA GLY A 18 1.731 11.811 -3.508 1.00 0.00 C ATOM 280 C GLY A 18 0.222 11.973 -3.316 1.00 0.00 C ATOM 281 O GLY A 18 -0.545 11.860 -4.271 1.00 0.00 O ATOM 0 H GLY A 18 1.904 10.046 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.209 12.791 -3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.931 11.364 -4.482 1.00 0.00 H new ATOM 285 N SER A 19 -0.159 12.235 -2.074 1.00 0.00 N ATOM 286 CA SER A 19 -1.563 12.414 -1.744 1.00 0.00 C ATOM 287 C SER A 19 -1.966 13.876 -1.944 1.00 0.00 C ATOM 288 O SER A 19 -3.007 14.162 -2.533 1.00 0.00 O ATOM 289 CB SER A 19 -1.851 11.976 -0.306 1.00 0.00 C ATOM 290 OG SER A 19 -3.030 11.181 -0.216 1.00 0.00 O ATOM 0 H SER A 19 0.480 12.328 -1.284 1.00 0.00 H new ATOM 0 HA SER A 19 -2.154 11.787 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.002 11.410 0.077 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.959 12.857 0.327 1.00 0.00 H new ATOM 0 HG SER A 19 -2.984 10.453 -0.870 1.00 0.00 H new ATOM 296 N ALA A 20 -1.120 14.763 -1.441 1.00 0.00 N ATOM 297 CA ALA A 20 -1.375 16.189 -1.557 1.00 0.00 C ATOM 298 C ALA A 20 -2.311 16.629 -0.430 1.00 0.00 C ATOM 299 O ALA A 20 -2.568 17.820 -0.260 1.00 0.00 O ATOM 300 CB ALA A 20 -1.947 16.495 -2.943 1.00 0.00 C ATOM 0 H ALA A 20 -0.258 14.522 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.448 16.754 -1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.138 17.565 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.231 16.191 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.879 15.947 -3.081 1.00 0.00 H new ATOM 306 N ASP A 21 -2.797 15.643 0.312 1.00 0.00 N ATOM 307 CA ASP A 21 -3.699 15.914 1.418 1.00 0.00 C ATOM 308 C ASP A 21 -3.058 15.437 2.722 1.00 0.00 C ATOM 309 O ASP A 21 -3.447 15.871 3.805 1.00 0.00 O ATOM 310 CB ASP A 21 -5.024 15.169 1.242 1.00 0.00 C ATOM 311 CG ASP A 21 -6.265 15.944 1.689 1.00 0.00 C ATOM 312 OD1 ASP A 21 -6.161 17.188 1.769 1.00 0.00 O ATOM 313 OD2 ASP A 21 -7.291 15.276 1.941 1.00 0.00 O ATOM 0 H ASP A 21 -2.583 14.656 0.168 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.889 16.987 1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.138 14.905 0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.976 14.235 1.802 1.00 0.00 H new ATOM 319 N LYS A 22 -2.085 14.548 2.575 1.00 0.00 N ATOM 320 CA LYS A 22 -1.387 14.007 3.728 1.00 0.00 C ATOM 321 C LYS A 22 -2.409 13.471 4.733 1.00 0.00 C ATOM 322 O LYS A 22 -2.560 14.021 5.823 1.00 0.00 O ATOM 323 CB LYS A 22 -0.435 15.050 4.317 1.00 0.00 C ATOM 324 CG LYS A 22 0.650 15.432 3.307 1.00 0.00 C ATOM 325 CD LYS A 22 0.166 16.547 2.378 1.00 0.00 C ATOM 326 CE LYS A 22 0.416 17.924 2.997 1.00 0.00 C ATOM 327 NZ LYS A 22 1.182 18.780 2.063 1.00 0.00 N ATOM 0 H LYS A 22 -1.765 14.190 1.675 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.759 13.167 3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.997 15.938 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.028 14.656 5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.546 15.758 3.836 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.928 14.558 2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.681 16.476 1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.898 16.422 2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.535 18.399 3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.964 17.815 3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.343 19.711 2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.097 18.333 1.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.644 18.899 1.181 1.00 0.00 H new ATOM 341 N ASP A 23 -3.082 12.404 4.332 1.00 0.00 N ATOM 342 CA ASP A 23 -4.086 11.787 5.184 1.00 0.00 C ATOM 343 C ASP A 23 -4.061 10.272 4.979 1.00 0.00 C ATOM 344 O ASP A 23 -4.592 9.766 3.992 1.00 0.00 O ATOM 345 CB ASP A 23 -5.489 12.289 4.834 1.00 0.00 C ATOM 346 CG ASP A 23 -6.433 12.453 6.027 1.00 0.00 C ATOM 347 OD1 ASP A 23 -6.161 11.801 7.059 1.00 0.00 O ATOM 348 OD2 ASP A 23 -7.405 13.224 5.880 1.00 0.00 O ATOM 0 H ASP A 23 -2.953 11.950 3.428 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.857 12.047 6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.399 13.249 4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.941 11.595 4.125 1.00 0.00 H new ATOM 354 N ALA A 24 -3.438 9.588 5.929 1.00 0.00 N ATOM 355 CA ALA A 24 -3.338 8.141 5.866 1.00 0.00 C ATOM 356 C ALA A 24 -4.735 7.544 5.686 1.00 0.00 C ATOM 357 O ALA A 24 -4.874 6.383 5.302 1.00 0.00 O ATOM 358 CB ALA A 24 -2.639 7.622 7.123 1.00 0.00 C ATOM 0 H ALA A 24 -2.998 10.011 6.746 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.737 7.835 5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.564 6.536 7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.640 8.052 7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.214 7.908 8.004 1.00 0.00 H new ATOM 364 N ASN A 25 -5.735 8.364 5.972 1.00 0.00 N ATOM 365 CA ASN A 25 -7.117 7.931 5.849 1.00 0.00 C ATOM 366 C ASN A 25 -7.515 7.931 4.371 1.00 0.00 C ATOM 367 O ASN A 25 -8.041 6.940 3.866 1.00 0.00 O ATOM 368 CB ASN A 25 -8.060 8.879 6.592 1.00 0.00 C ATOM 369 CG ASN A 25 -8.910 8.118 7.612 1.00 0.00 C ATOM 370 OD1 ASN A 25 -8.919 6.899 7.665 1.00 0.00 O ATOM 371 ND2 ASN A 25 -9.621 8.902 8.416 1.00 0.00 N ATOM 0 H ASN A 25 -5.616 9.326 6.289 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.198 6.933 6.279 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.481 9.650 7.099 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.709 9.386 5.878 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.220 8.490 9.131 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.567 9.916 8.318 1.00 0.00 H new ATOM 378 N VAL A 26 -7.252 9.055 3.720 1.00 0.00 N ATOM 379 CA VAL A 26 -7.576 9.196 2.311 1.00 0.00 C ATOM 380 C VAL A 26 -6.534 8.454 1.474 1.00 0.00 C ATOM 381 O VAL A 26 -6.671 8.346 0.256 1.00 0.00 O ATOM 382 CB VAL A 26 -7.690 10.678 1.947 1.00 0.00 C ATOM 383 CG1 VAL A 26 -8.468 10.865 0.643 1.00 0.00 C ATOM 384 CG2 VAL A 26 -8.330 11.475 3.086 1.00 0.00 C ATOM 0 H VAL A 26 -6.818 9.876 4.142 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.545 8.746 2.096 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.682 11.063 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.534 11.927 0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.953 10.346 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.472 10.455 0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.399 12.525 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.329 11.087 3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.719 11.382 3.984 1.00 0.00 H new ATOM 394 N ILE A 27 -5.513 7.960 2.160 1.00 0.00 N ATOM 395 CA ILE A 27 -4.447 7.229 1.495 1.00 0.00 C ATOM 396 C ILE A 27 -4.775 5.735 1.506 1.00 0.00 C ATOM 397 O ILE A 27 -5.195 5.181 0.490 1.00 0.00 O ATOM 398 CB ILE A 27 -3.093 7.567 2.125 1.00 0.00 C ATOM 399 CG1 ILE A 27 -2.745 9.042 1.917 1.00 0.00 C ATOM 400 CG2 ILE A 27 -1.997 6.638 1.598 1.00 0.00 C ATOM 401 CD1 ILE A 27 -1.670 9.496 2.907 1.00 0.00 C ATOM 0 H ILE A 27 -5.401 8.052 3.170 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.371 7.531 0.450 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.165 7.403 3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.394 9.196 0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.640 9.652 2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.045 6.899 2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.248 5.605 1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.916 6.747 0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.441 10.548 2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.034 9.363 3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.768 8.901 2.763 1.00 0.00 H new ATOM 413 N LYS A 28 -4.570 5.125 2.664 1.00 0.00 N ATOM 414 CA LYS A 28 -4.839 3.705 2.819 1.00 0.00 C ATOM 415 C LYS A 28 -6.114 3.345 2.054 1.00 0.00 C ATOM 416 O LYS A 28 -6.176 2.308 1.396 1.00 0.00 O ATOM 417 CB LYS A 28 -4.883 3.327 4.301 1.00 0.00 C ATOM 418 CG LYS A 28 -6.258 3.628 4.902 1.00 0.00 C ATOM 419 CD LYS A 28 -6.368 3.073 6.323 1.00 0.00 C ATOM 420 CE LYS A 28 -5.488 3.865 7.293 1.00 0.00 C ATOM 421 NZ LYS A 28 -6.320 4.555 8.303 1.00 0.00 N ATOM 0 H LYS A 28 -4.221 5.587 3.503 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.031 3.115 2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.655 2.267 4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.116 3.879 4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.426 4.705 4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.036 3.191 4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.406 3.113 6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.071 2.024 6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.787 3.193 7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.895 4.595 6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.707 5.087 8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.972 5.211 7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.867 3.853 8.841 1.00 0.00 H new ATOM 435 N LYS A 29 -7.101 4.221 2.167 1.00 0.00 N ATOM 436 CA LYS A 29 -8.372 4.009 1.494 1.00 0.00 C ATOM 437 C LYS A 29 -8.163 4.095 -0.020 1.00 0.00 C ATOM 438 O LYS A 29 -8.485 3.158 -0.748 1.00 0.00 O ATOM 439 CB LYS A 29 -9.428 4.981 2.024 1.00 0.00 C ATOM 440 CG LYS A 29 -10.031 4.472 3.335 1.00 0.00 C ATOM 441 CD LYS A 29 -10.675 5.615 4.122 1.00 0.00 C ATOM 442 CE LYS A 29 -11.440 6.559 3.191 1.00 0.00 C ATOM 443 NZ LYS A 29 -12.626 5.878 2.624 1.00 0.00 N ATOM 0 H LYS A 29 -7.047 5.080 2.715 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.754 3.011 1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.979 5.961 2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.216 5.108 1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.777 3.706 3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.254 4.002 3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.354 5.208 4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.906 6.171 4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.751 7.448 3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.786 6.894 2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.171 6.552 2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.318 5.083 2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.223 5.520 3.397 1.00 0.00 H new ATOM 457 N ASP A 30 -7.624 5.227 -0.448 1.00 0.00 N ATOM 458 CA ASP A 30 -7.368 5.446 -1.861 1.00 0.00 C ATOM 459 C ASP A 30 -6.792 4.169 -2.475 1.00 0.00 C ATOM 460 O ASP A 30 -7.313 3.663 -3.467 1.00 0.00 O ATOM 461 CB ASP A 30 -6.353 6.572 -2.069 1.00 0.00 C ATOM 462 CG ASP A 30 -6.952 7.915 -2.490 1.00 0.00 C ATOM 463 OD1 ASP A 30 -8.040 7.883 -3.103 1.00 0.00 O ATOM 464 OD2 ASP A 30 -6.308 8.943 -2.187 1.00 0.00 O ATOM 0 H ASP A 30 -7.358 6.002 0.159 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.310 5.719 -2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.796 6.714 -1.143 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.635 6.258 -2.827 1.00 0.00 H new ATOM 470 N PHE A 31 -5.722 3.686 -1.860 1.00 0.00 N ATOM 471 CA PHE A 31 -5.068 2.477 -2.334 1.00 0.00 C ATOM 472 C PHE A 31 -6.098 1.412 -2.716 1.00 0.00 C ATOM 473 O PHE A 31 -6.098 0.919 -3.843 1.00 0.00 O ATOM 474 CB PHE A 31 -4.212 1.952 -1.181 1.00 0.00 C ATOM 475 CG PHE A 31 -3.762 0.498 -1.352 1.00 0.00 C ATOM 476 CD1 PHE A 31 -4.646 -0.515 -1.155 1.00 0.00 C ATOM 477 CD2 PHE A 31 -2.476 0.222 -1.703 1.00 0.00 C ATOM 478 CE1 PHE A 31 -4.228 -1.863 -1.314 1.00 0.00 C ATOM 479 CE2 PHE A 31 -2.059 -1.126 -1.862 1.00 0.00 C ATOM 480 CZ PHE A 31 -2.943 -2.140 -1.664 1.00 0.00 C ATOM 0 H PHE A 31 -5.292 4.110 -1.038 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.469 2.698 -3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.330 2.585 -1.079 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.777 2.040 -0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.666 -0.295 -0.878 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.774 1.027 -1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.930 -2.668 -1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.039 -1.346 -2.140 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.625 -3.165 -1.785 1.00 0.00 H new ATOM 490 N ASP A 32 -6.950 1.085 -1.755 1.00 0.00 N ATOM 491 CA ASP A 32 -7.983 0.087 -1.977 1.00 0.00 C ATOM 492 C ASP A 32 -8.715 0.399 -3.283 1.00 0.00 C ATOM 493 O ASP A 32 -9.173 -0.509 -3.974 1.00 0.00 O ATOM 494 CB ASP A 32 -9.010 0.096 -0.844 1.00 0.00 C ATOM 495 CG ASP A 32 -9.829 -1.188 -0.703 1.00 0.00 C ATOM 496 OD1 ASP A 32 -9.252 -2.263 -0.973 1.00 0.00 O ATOM 497 OD2 ASP A 32 -11.016 -1.066 -0.330 1.00 0.00 O ATOM 0 H ASP A 32 -6.946 1.494 -0.820 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.504 -0.891 -2.020 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.490 0.282 0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.694 0.930 -1.001 1.00 0.00 H new ATOM 503 N ALA A 33 -8.804 1.687 -3.580 1.00 0.00 N ATOM 504 CA ALA A 33 -9.475 2.130 -4.791 1.00 0.00 C ATOM 505 C ALA A 33 -8.734 1.578 -6.011 1.00 0.00 C ATOM 506 O ALA A 33 -9.322 0.880 -6.835 1.00 0.00 O ATOM 507 CB ALA A 33 -9.553 3.658 -4.801 1.00 0.00 C ATOM 0 H ALA A 33 -8.423 2.438 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.496 1.750 -4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.056 3.991 -5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.113 3.999 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.546 4.074 -4.771 1.00 0.00 H new ATOM 513 N GLU A 34 -7.453 1.909 -6.086 1.00 0.00 N ATOM 514 CA GLU A 34 -6.626 1.455 -7.191 1.00 0.00 C ATOM 515 C GLU A 34 -6.065 0.062 -6.896 1.00 0.00 C ATOM 516 O GLU A 34 -5.072 -0.350 -7.492 1.00 0.00 O ATOM 517 CB GLU A 34 -5.500 2.450 -7.480 1.00 0.00 C ATOM 518 CG GLU A 34 -4.692 2.023 -8.705 1.00 0.00 C ATOM 519 CD GLU A 34 -5.603 1.459 -9.797 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.590 2.154 -10.125 1.00 0.00 O ATOM 521 OE2 GLU A 34 -5.295 0.348 -10.277 1.00 0.00 O ATOM 0 H GLU A 34 -6.968 2.486 -5.399 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.249 1.394 -8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.920 3.442 -7.645 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.843 2.522 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.138 2.877 -9.095 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.957 1.271 -8.416 1.00 0.00 H new ATOM 529 N CYS A 35 -6.725 -0.623 -5.974 1.00 0.00 N ATOM 530 CA CYS A 35 -6.304 -1.960 -5.591 1.00 0.00 C ATOM 531 C CYS A 35 -7.391 -2.947 -6.022 1.00 0.00 C ATOM 532 O CYS A 35 -7.102 -3.948 -6.678 1.00 0.00 O ATOM 533 CB CYS A 35 -6.009 -2.054 -4.093 1.00 0.00 C ATOM 534 SG CYS A 35 -5.038 -3.523 -3.593 1.00 0.00 S ATOM 0 H CYS A 35 -7.548 -0.277 -5.481 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.369 -2.207 -6.094 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.470 -1.158 -3.786 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.954 -2.059 -3.550 1.00 0.00 H new ATOM 539 N LYS A 36 -8.618 -2.632 -5.637 1.00 0.00 N ATOM 540 CA LYS A 36 -9.750 -3.479 -5.975 1.00 0.00 C ATOM 541 C LYS A 36 -9.915 -3.517 -7.495 1.00 0.00 C ATOM 542 O LYS A 36 -10.111 -4.585 -8.075 1.00 0.00 O ATOM 543 CB LYS A 36 -11.005 -3.018 -5.231 1.00 0.00 C ATOM 544 CG LYS A 36 -11.141 -3.737 -3.888 1.00 0.00 C ATOM 545 CD LYS A 36 -12.612 -3.949 -3.525 1.00 0.00 C ATOM 546 CE LYS A 36 -13.228 -5.066 -4.370 1.00 0.00 C ATOM 547 NZ LYS A 36 -14.027 -5.977 -3.520 1.00 0.00 N ATOM 0 H LYS A 36 -8.854 -1.802 -5.094 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.572 -4.503 -5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.961 -1.941 -5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.886 -3.212 -5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.632 -4.700 -3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.651 -3.154 -3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.697 -4.199 -2.467 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.166 -3.023 -3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.860 -4.636 -5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.440 -5.626 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.438 -6.729 -4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.415 -6.401 -2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.790 -5.442 -3.059 1.00 0.00 H new ATOM 561 N LYS A 37 -9.832 -2.341 -8.099 1.00 0.00 N ATOM 562 CA LYS A 37 -9.970 -2.227 -9.540 1.00 0.00 C ATOM 563 C LYS A 37 -8.679 -2.699 -10.211 1.00 0.00 C ATOM 564 O LYS A 37 -8.632 -2.864 -11.429 1.00 0.00 O ATOM 565 CB LYS A 37 -10.381 -0.806 -9.928 1.00 0.00 C ATOM 566 CG LYS A 37 -9.153 0.071 -10.179 1.00 0.00 C ATOM 567 CD LYS A 37 -8.861 0.193 -11.676 1.00 0.00 C ATOM 568 CE LYS A 37 -9.408 1.507 -12.236 1.00 0.00 C ATOM 569 NZ LYS A 37 -8.355 2.230 -12.984 1.00 0.00 N ATOM 0 H LYS A 37 -9.671 -1.458 -7.615 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.770 -2.874 -9.898 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.001 -0.835 -10.824 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.988 -0.370 -9.135 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.317 1.062 -9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.288 -0.354 -9.670 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.786 0.141 -11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.309 -0.647 -12.207 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.255 1.305 -12.892 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.777 2.131 -11.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.743 3.120 -13.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.559 2.439 -12.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.022 1.640 -13.773 1.00 0.00 H new ATOM 583 N LEU A 38 -7.661 -2.903 -9.387 1.00 0.00 N ATOM 584 CA LEU A 38 -6.373 -3.352 -9.886 1.00 0.00 C ATOM 585 C LEU A 38 -6.310 -4.880 -9.818 1.00 0.00 C ATOM 586 O LEU A 38 -6.096 -5.540 -10.834 1.00 0.00 O ATOM 587 CB LEU A 38 -5.236 -2.656 -9.134 1.00 0.00 C ATOM 588 CG LEU A 38 -3.818 -3.020 -9.578 1.00 0.00 C ATOM 589 CD1 LEU A 38 -3.495 -2.403 -10.941 1.00 0.00 C ATOM 590 CD2 LEU A 38 -2.792 -2.627 -8.514 1.00 0.00 C ATOM 0 H LEU A 38 -7.703 -2.765 -8.377 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.251 -3.073 -10.933 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.363 -1.579 -9.239 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.334 -2.886 -8.073 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.764 -4.103 -9.693 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.481 -2.677 -11.233 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.200 -2.774 -11.685 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.573 -1.318 -10.877 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.793 -2.897 -8.855 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.839 -1.552 -8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.012 -3.152 -7.585 1.00 0.00 H new ATOM 602 N PHE A 39 -6.500 -5.395 -8.613 1.00 0.00 N ATOM 603 CA PHE A 39 -6.467 -6.833 -8.401 1.00 0.00 C ATOM 604 C PHE A 39 -7.864 -7.439 -8.539 1.00 0.00 C ATOM 605 O PHE A 39 -8.073 -8.606 -8.212 1.00 0.00 O ATOM 606 CB PHE A 39 -5.962 -7.063 -6.974 1.00 0.00 C ATOM 607 CG PHE A 39 -4.601 -6.427 -6.686 1.00 0.00 C ATOM 608 CD1 PHE A 39 -3.632 -6.433 -7.642 1.00 0.00 C ATOM 609 CD2 PHE A 39 -4.359 -5.858 -5.476 1.00 0.00 C ATOM 610 CE1 PHE A 39 -2.368 -5.843 -7.374 1.00 0.00 C ATOM 611 CE2 PHE A 39 -3.094 -5.269 -5.208 1.00 0.00 C ATOM 612 CZ PHE A 39 -2.125 -5.273 -6.163 1.00 0.00 C ATOM 0 H PHE A 39 -6.677 -4.844 -7.773 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.821 -7.304 -9.142 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.694 -6.664 -6.272 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.896 -8.136 -6.791 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.824 -6.886 -8.603 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.128 -5.853 -4.718 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.599 -5.847 -8.132 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.902 -4.818 -4.246 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.164 -4.824 -5.960 1.00 0.00 H new ATOM 622 N HIS A 40 -8.786 -6.619 -9.022 1.00 0.00 N ATOM 623 CA HIS A 40 -10.158 -7.060 -9.207 1.00 0.00 C ATOM 624 C HIS A 40 -10.168 -8.467 -9.808 1.00 0.00 C ATOM 625 O HIS A 40 -11.014 -9.289 -9.458 1.00 0.00 O ATOM 626 CB HIS A 40 -10.945 -6.051 -10.047 1.00 0.00 C ATOM 627 CG HIS A 40 -11.738 -6.674 -11.171 1.00 0.00 C ATOM 628 ND1 HIS A 40 -12.620 -7.722 -10.974 1.00 0.00 N ATOM 629 CD2 HIS A 40 -11.775 -6.384 -12.502 1.00 0.00 C ATOM 630 CE1 HIS A 40 -13.156 -8.042 -12.143 1.00 0.00 C ATOM 631 NE2 HIS A 40 -12.630 -7.212 -13.089 1.00 0.00 N ATOM 0 H HIS A 40 -8.609 -5.651 -9.291 1.00 0.00 H new ATOM 0 HA HIS A 40 -10.661 -7.111 -8.241 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.626 -5.504 -9.395 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.251 -5.323 -10.466 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -12.823 -8.172 -10.081 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.205 -5.611 -12.996 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.882 -8.823 -12.316 1.00 0.00 H new ATOM 640 N THR A 41 -9.219 -8.700 -10.703 1.00 0.00 N ATOM 641 CA THR A 41 -9.108 -9.994 -11.355 1.00 0.00 C ATOM 642 C THR A 41 -7.854 -10.727 -10.876 1.00 0.00 C ATOM 643 O THR A 41 -7.147 -11.342 -11.673 1.00 0.00 O ATOM 644 CB THR A 41 -9.137 -9.764 -12.867 1.00 0.00 C ATOM 645 OG1 THR A 41 -7.963 -8.997 -13.125 1.00 0.00 O ATOM 646 CG2 THR A 41 -10.284 -8.848 -13.299 1.00 0.00 C ATOM 0 H THR A 41 -8.520 -8.015 -10.992 1.00 0.00 H new ATOM 0 HA THR A 41 -9.944 -10.642 -11.093 1.00 0.00 H new ATOM 0 HB THR A 41 -9.227 -10.723 -13.378 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.902 -8.804 -14.084 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.258 -8.718 -14.381 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.235 -9.295 -13.010 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.177 -7.878 -12.814 1.00 0.00 H new ATOM 654 N ILE A 42 -7.617 -10.640 -9.576 1.00 0.00 N ATOM 655 CA ILE A 42 -6.461 -11.288 -8.981 1.00 0.00 C ATOM 656 C ILE A 42 -6.920 -12.185 -7.829 1.00 0.00 C ATOM 657 O ILE A 42 -7.940 -11.917 -7.198 1.00 0.00 O ATOM 658 CB ILE A 42 -5.416 -10.248 -8.569 1.00 0.00 C ATOM 659 CG1 ILE A 42 -4.281 -10.177 -9.593 1.00 0.00 C ATOM 660 CG2 ILE A 42 -4.898 -10.520 -7.156 1.00 0.00 C ATOM 661 CD1 ILE A 42 -3.040 -9.515 -8.990 1.00 0.00 C ATOM 0 H ILE A 42 -8.206 -10.130 -8.918 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.969 -11.931 -9.711 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.896 -9.270 -8.552 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.032 -11.181 -9.935 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.609 -9.615 -10.467 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.157 -9.767 -6.889 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.728 -10.479 -6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.439 -11.508 -7.121 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.248 -9.477 -9.738 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.287 -8.502 -8.671 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.700 -10.094 -8.131 1.00 0.00 H new ATOM 673 N PRO A 43 -6.124 -13.261 -7.587 1.00 0.00 N ATOM 674 CA PRO A 43 -6.439 -14.200 -6.523 1.00 0.00 C ATOM 675 C PRO A 43 -6.112 -13.605 -5.152 1.00 0.00 C ATOM 676 O PRO A 43 -5.009 -13.105 -4.936 1.00 0.00 O ATOM 677 CB PRO A 43 -5.624 -15.442 -6.841 1.00 0.00 C ATOM 678 CG PRO A 43 -4.535 -14.992 -7.802 1.00 0.00 C ATOM 679 CD PRO A 43 -4.908 -13.611 -8.315 1.00 0.00 C ATOM 0 HA PRO A 43 -7.501 -14.439 -6.473 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.193 -15.869 -5.935 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.248 -16.214 -7.292 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.569 -14.964 -7.298 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.442 -15.695 -8.630 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.112 -12.890 -8.126 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.080 -13.622 -9.391 1.00 0.00 H new ATOM 687 N PHE A 44 -7.091 -13.679 -4.261 1.00 0.00 N ATOM 688 CA PHE A 44 -6.920 -13.154 -2.917 1.00 0.00 C ATOM 689 C PHE A 44 -6.280 -11.765 -2.948 1.00 0.00 C ATOM 690 O PHE A 44 -5.703 -11.321 -1.957 1.00 0.00 O ATOM 691 CB PHE A 44 -5.989 -14.115 -2.176 1.00 0.00 C ATOM 692 CG PHE A 44 -4.579 -14.192 -2.764 1.00 0.00 C ATOM 693 CD1 PHE A 44 -3.638 -13.282 -2.396 1.00 0.00 C ATOM 694 CD2 PHE A 44 -4.266 -15.172 -3.654 1.00 0.00 C ATOM 695 CE1 PHE A 44 -2.329 -13.353 -2.940 1.00 0.00 C ATOM 696 CE2 PHE A 44 -2.956 -15.243 -4.199 1.00 0.00 C ATOM 697 CZ PHE A 44 -2.016 -14.333 -3.831 1.00 0.00 C ATOM 0 H PHE A 44 -8.004 -14.094 -4.444 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.889 -13.067 -2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.920 -13.806 -1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.430 -15.112 -2.185 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.887 -12.504 -1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.013 -15.895 -3.946 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.582 -12.630 -2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.707 -16.020 -4.906 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.020 -14.388 -4.246 1.00 0.00 H new ATOM 707 N GLY A 45 -6.404 -11.117 -4.097 1.00 0.00 N ATOM 708 CA GLY A 45 -5.845 -9.787 -4.270 1.00 0.00 C ATOM 709 C GLY A 45 -6.553 -8.772 -3.369 1.00 0.00 C ATOM 710 O GLY A 45 -5.973 -8.286 -2.400 1.00 0.00 O ATOM 0 H GLY A 45 -6.883 -11.488 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.780 -9.803 -4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.940 -9.482 -5.312 1.00 0.00 H new ATOM 714 N THR A 46 -7.797 -8.484 -3.721 1.00 0.00 N ATOM 715 CA THR A 46 -8.590 -7.537 -2.957 1.00 0.00 C ATOM 716 C THR A 46 -8.436 -7.799 -1.458 1.00 0.00 C ATOM 717 O THR A 46 -8.083 -6.898 -0.699 1.00 0.00 O ATOM 718 CB THR A 46 -10.037 -7.630 -3.445 1.00 0.00 C ATOM 719 OG1 THR A 46 -10.363 -9.009 -3.303 1.00 0.00 O ATOM 720 CG2 THR A 46 -10.168 -7.369 -4.947 1.00 0.00 C ATOM 0 H THR A 46 -8.275 -8.890 -4.525 1.00 0.00 H new ATOM 0 HA THR A 46 -8.244 -6.515 -3.113 1.00 0.00 H new ATOM 0 HB THR A 46 -10.650 -6.914 -2.898 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.286 -9.159 -3.596 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.215 -7.447 -5.240 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.801 -6.368 -5.176 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.581 -8.105 -5.497 1.00 0.00 H new ATOM 728 N ARG A 47 -8.709 -9.038 -1.076 1.00 0.00 N ATOM 729 CA ARG A 47 -8.605 -9.431 0.320 1.00 0.00 C ATOM 730 C ARG A 47 -7.291 -8.922 0.918 1.00 0.00 C ATOM 731 O ARG A 47 -7.246 -8.531 2.083 1.00 0.00 O ATOM 732 CB ARG A 47 -8.670 -10.953 0.470 1.00 0.00 C ATOM 733 CG ARG A 47 -8.580 -11.363 1.941 1.00 0.00 C ATOM 734 CD ARG A 47 -7.583 -12.508 2.130 1.00 0.00 C ATOM 735 NE ARG A 47 -7.926 -13.281 3.346 1.00 0.00 N ATOM 736 CZ ARG A 47 -7.570 -12.924 4.587 1.00 0.00 C ATOM 737 NH1 ARG A 47 -6.860 -11.806 4.786 1.00 0.00 N ATOM 738 NH2 ARG A 47 -7.925 -13.688 5.630 1.00 0.00 N ATOM 0 H ARG A 47 -9.002 -9.783 -1.708 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.447 -8.988 0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.601 -11.325 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.855 -11.412 -0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.275 -10.507 2.543 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.563 -11.669 2.298 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.597 -13.161 1.258 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.572 -12.111 2.215 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.467 -14.138 3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.590 -11.225 3.992 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.590 -11.535 5.731 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.465 -14.540 5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.655 -13.418 6.576 1.00 0.00 H new ATOM 752 N GLU A 48 -6.255 -8.944 0.093 1.00 0.00 N ATOM 753 CA GLU A 48 -4.945 -8.490 0.526 1.00 0.00 C ATOM 754 C GLU A 48 -4.937 -6.968 0.686 1.00 0.00 C ATOM 755 O GLU A 48 -4.223 -6.434 1.535 1.00 0.00 O ATOM 756 CB GLU A 48 -3.857 -8.944 -0.449 1.00 0.00 C ATOM 757 CG GLU A 48 -3.028 -10.084 0.146 1.00 0.00 C ATOM 758 CD GLU A 48 -2.513 -9.717 1.540 1.00 0.00 C ATOM 759 OE1 GLU A 48 -1.734 -8.743 1.619 1.00 0.00 O ATOM 760 OE2 GLU A 48 -2.909 -10.420 2.494 1.00 0.00 O ATOM 0 H GLU A 48 -6.296 -9.269 -0.873 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.729 -8.939 1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.314 -9.271 -1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.206 -8.104 -0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.635 -10.988 0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.186 -10.307 -0.510 1.00 0.00 H new ATOM 768 N CYS A 49 -5.738 -6.313 -0.141 1.00 0.00 N ATOM 769 CA CYS A 49 -5.831 -4.864 -0.102 1.00 0.00 C ATOM 770 C CYS A 49 -6.173 -4.444 1.329 1.00 0.00 C ATOM 771 O CYS A 49 -5.380 -3.776 1.990 1.00 0.00 O ATOM 772 CB CYS A 49 -6.853 -4.336 -1.112 1.00 0.00 C ATOM 773 SG CYS A 49 -6.461 -4.702 -2.861 1.00 0.00 S ATOM 0 H CYS A 49 -6.329 -6.759 -0.842 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.875 -4.427 -0.389 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -7.829 -4.761 -0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.938 -3.256 -0.991 1.00 0.00 H new ATOM 778 N ASP A 50 -7.356 -4.852 1.764 1.00 0.00 N ATOM 779 CA ASP A 50 -7.814 -4.526 3.104 1.00 0.00 C ATOM 780 C ASP A 50 -6.795 -5.038 4.125 1.00 0.00 C ATOM 781 O ASP A 50 -6.709 -4.517 5.236 1.00 0.00 O ATOM 782 CB ASP A 50 -9.159 -5.190 3.404 1.00 0.00 C ATOM 783 CG ASP A 50 -10.176 -5.136 2.263 1.00 0.00 C ATOM 784 OD1 ASP A 50 -10.264 -4.062 1.631 1.00 0.00 O ATOM 785 OD2 ASP A 50 -10.842 -6.172 2.048 1.00 0.00 O ATOM 0 H ASP A 50 -8.011 -5.406 1.212 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.925 -3.444 3.168 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.982 -6.234 3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.595 -4.713 4.282 1.00 0.00 H new ATOM 791 N HIS A 51 -6.049 -6.051 3.711 1.00 0.00 N ATOM 792 CA HIS A 51 -5.039 -6.639 4.575 1.00 0.00 C ATOM 793 C HIS A 51 -3.722 -5.879 4.416 1.00 0.00 C ATOM 794 O HIS A 51 -2.707 -6.259 4.998 1.00 0.00 O ATOM 795 CB HIS A 51 -4.897 -8.138 4.302 1.00 0.00 C ATOM 796 CG HIS A 51 -5.145 -9.008 5.511 1.00 0.00 C ATOM 797 ND1 HIS A 51 -4.249 -9.974 5.936 1.00 0.00 N ATOM 798 CD2 HIS A 51 -6.195 -9.048 6.382 1.00 0.00 C ATOM 799 CE1 HIS A 51 -4.748 -10.563 7.013 1.00 0.00 C ATOM 800 NE2 HIS A 51 -5.955 -9.987 7.287 1.00 0.00 N ATOM 0 H HIS A 51 -6.123 -6.480 2.789 1.00 0.00 H new ATOM 0 HA HIS A 51 -5.347 -6.546 5.616 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.595 -8.421 3.514 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.893 -8.335 3.925 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.073 -8.421 6.341 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.282 -11.359 7.575 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.571 -10.238 8.061 1.00 0.00 H new ATOM 809 N TYR A 52 -3.779 -4.819 3.623 1.00 0.00 N ATOM 810 CA TYR A 52 -2.602 -4.003 3.379 1.00 0.00 C ATOM 811 C TYR A 52 -2.806 -2.578 3.898 1.00 0.00 C ATOM 812 O TYR A 52 -1.956 -2.045 4.610 1.00 0.00 O ATOM 813 CB TYR A 52 -2.427 -3.958 1.860 1.00 0.00 C ATOM 814 CG TYR A 52 -0.988 -3.703 1.405 1.00 0.00 C ATOM 815 CD1 TYR A 52 -0.029 -4.682 1.570 1.00 0.00 C ATOM 816 CD2 TYR A 52 -0.650 -2.493 0.834 1.00 0.00 C ATOM 817 CE1 TYR A 52 1.325 -4.441 1.142 1.00 0.00 C ATOM 818 CE2 TYR A 52 0.704 -2.253 0.407 1.00 0.00 C ATOM 819 CZ TYR A 52 1.625 -3.238 0.582 1.00 0.00 C ATOM 820 OH TYR A 52 2.904 -3.011 0.179 1.00 0.00 O ATOM 0 H TYR A 52 -4.622 -4.507 3.141 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.733 -4.421 3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.768 -4.903 1.437 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.069 -3.177 1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.294 -5.628 2.020 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.400 -1.727 0.708 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.085 -5.199 1.263 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.982 -1.311 -0.042 1.00 0.00 H new ATOM 0 HH TYR A 52 3.448 -3.807 0.354 1.00 0.00 H new ATOM 830 N VAL A 53 -3.937 -2.001 3.521 1.00 0.00 N ATOM 831 CA VAL A 53 -4.264 -0.649 3.939 1.00 0.00 C ATOM 832 C VAL A 53 -4.698 -0.664 5.407 1.00 0.00 C ATOM 833 O VAL A 53 -5.798 -0.226 5.737 1.00 0.00 O ATOM 834 CB VAL A 53 -5.323 -0.053 3.010 1.00 0.00 C ATOM 835 CG1 VAL A 53 -5.040 -0.420 1.551 1.00 0.00 C ATOM 836 CG2 VAL A 53 -6.727 -0.497 3.424 1.00 0.00 C ATOM 0 H VAL A 53 -4.639 -2.446 2.930 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.387 -0.006 3.865 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.275 1.032 3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.807 0.016 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.063 -0.033 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.048 -1.504 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.461 -0.059 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.793 -1.584 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.928 -0.164 4.442 1.00 0.00 H new ATOM 846 N ASN A 54 -3.809 -1.173 6.248 1.00 0.00 N ATOM 847 CA ASN A 54 -4.087 -1.252 7.671 1.00 0.00 C ATOM 848 C ASN A 54 -2.960 -2.022 8.365 1.00 0.00 C ATOM 849 O ASN A 54 -2.665 -1.780 9.533 1.00 0.00 O ATOM 850 CB ASN A 54 -5.399 -1.992 7.938 1.00 0.00 C ATOM 851 CG ASN A 54 -5.955 -1.641 9.319 1.00 0.00 C ATOM 852 OD1 ASN A 54 -5.345 -1.894 10.345 1.00 0.00 O ATOM 853 ND2 ASN A 54 -7.145 -1.049 9.289 1.00 0.00 N ATOM 0 H ASN A 54 -2.896 -1.534 5.971 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.163 -0.235 8.055 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.129 -1.733 7.171 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.234 -3.067 7.871 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.602 -0.778 10.160 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.601 -0.866 8.395 1.00 0.00 H new ATOM 860 N SER A 55 -2.363 -2.935 7.614 1.00 0.00 N ATOM 861 CA SER A 55 -1.276 -3.743 8.141 1.00 0.00 C ATOM 862 C SER A 55 0.045 -3.337 7.482 1.00 0.00 C ATOM 863 O SER A 55 1.044 -3.125 8.167 1.00 0.00 O ATOM 864 CB SER A 55 -1.542 -5.234 7.923 1.00 0.00 C ATOM 865 OG SER A 55 -2.208 -5.825 9.035 1.00 0.00 O ATOM 0 H SER A 55 -2.611 -3.134 6.645 1.00 0.00 H new ATOM 0 HA SER A 55 -1.208 -3.567 9.215 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.146 -5.367 7.026 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.597 -5.749 7.750 1.00 0.00 H new ATOM 0 HG SER A 55 -2.361 -6.776 8.857 1.00 0.00 H new ATOM 871 N LYS A 56 0.006 -3.243 6.161 1.00 0.00 N ATOM 872 CA LYS A 56 1.186 -2.867 5.402 1.00 0.00 C ATOM 873 C LYS A 56 1.188 -1.352 5.188 1.00 0.00 C ATOM 874 O LYS A 56 2.071 -0.818 4.518 1.00 0.00 O ATOM 875 CB LYS A 56 1.269 -3.673 4.104 1.00 0.00 C ATOM 876 CG LYS A 56 1.757 -5.097 4.373 1.00 0.00 C ATOM 877 CD LYS A 56 0.650 -5.948 4.998 1.00 0.00 C ATOM 878 CE LYS A 56 1.143 -7.370 5.278 1.00 0.00 C ATOM 879 NZ LYS A 56 0.024 -8.227 5.727 1.00 0.00 N ATOM 0 H LYS A 56 -0.825 -3.421 5.597 1.00 0.00 H new ATOM 0 HA LYS A 56 2.091 -3.112 5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.289 -3.705 3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.946 -3.178 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.089 -5.554 3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.619 -5.070 5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.312 -5.487 5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.209 -5.982 4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.592 -7.790 4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.921 -7.348 6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.376 -9.188 5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.386 -7.834 6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.705 -8.262 4.986 1.00 0.00 H new ATOM 893 N VAL A 57 0.191 -0.703 5.769 1.00 0.00 N ATOM 894 CA VAL A 57 0.066 0.740 5.649 1.00 0.00 C ATOM 895 C VAL A 57 0.667 1.403 6.889 1.00 0.00 C ATOM 896 O VAL A 57 1.492 2.309 6.775 1.00 0.00 O ATOM 897 CB VAL A 57 -1.398 1.121 5.418 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.820 2.264 6.343 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.645 1.483 3.951 1.00 0.00 C ATOM 0 H VAL A 57 -0.539 -1.149 6.325 1.00 0.00 H new ATOM 0 HA VAL A 57 0.622 1.101 4.784 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.012 0.253 5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.864 2.515 6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.699 1.955 7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.197 3.137 6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.693 1.750 3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.016 2.329 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.402 0.628 3.320 1.00 0.00 H new ATOM 909 N ASP A 58 0.230 0.928 8.047 1.00 0.00 N ATOM 910 CA ASP A 58 0.716 1.464 9.308 1.00 0.00 C ATOM 911 C ASP A 58 2.244 1.523 9.277 1.00 0.00 C ATOM 912 O ASP A 58 2.839 2.520 9.681 1.00 0.00 O ATOM 913 CB ASP A 58 0.299 0.576 10.480 1.00 0.00 C ATOM 914 CG ASP A 58 -0.580 1.258 11.529 1.00 0.00 C ATOM 915 OD1 ASP A 58 -1.770 1.479 11.215 1.00 0.00 O ATOM 916 OD2 ASP A 58 -0.043 1.545 12.621 1.00 0.00 O ATOM 0 H ASP A 58 -0.455 0.178 8.138 1.00 0.00 H new ATOM 0 HA ASP A 58 0.288 2.458 9.440 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.235 -0.290 10.088 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.198 0.201 10.970 1.00 0.00 H new ATOM 922 N PRO A 59 2.852 0.411 8.781 1.00 0.00 N ATOM 923 CA PRO A 59 4.300 0.327 8.693 1.00 0.00 C ATOM 924 C PRO A 59 4.829 1.176 7.535 1.00 0.00 C ATOM 925 O PRO A 59 5.647 2.070 7.740 1.00 0.00 O ATOM 926 CB PRO A 59 4.598 -1.154 8.529 1.00 0.00 C ATOM 927 CG PRO A 59 3.298 -1.792 8.065 1.00 0.00 C ATOM 928 CD PRO A 59 2.179 -0.789 8.293 1.00 0.00 C ATOM 0 HA PRO A 59 4.800 0.725 9.576 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.393 -1.314 7.801 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.934 -1.591 9.469 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.360 -2.061 7.011 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.105 -2.711 8.618 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.632 -0.589 7.372 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.456 -1.161 9.019 1.00 0.00 H new ATOM 936 N ILE A 60 4.340 0.864 6.343 1.00 0.00 N ATOM 937 CA ILE A 60 4.754 1.587 5.153 1.00 0.00 C ATOM 938 C ILE A 60 4.754 3.088 5.447 1.00 0.00 C ATOM 939 O ILE A 60 5.789 3.745 5.344 1.00 0.00 O ATOM 940 CB ILE A 60 3.883 1.195 3.958 1.00 0.00 C ATOM 941 CG1 ILE A 60 4.317 -0.155 3.383 1.00 0.00 C ATOM 942 CG2 ILE A 60 3.880 2.295 2.896 1.00 0.00 C ATOM 943 CD1 ILE A 60 3.499 -0.510 2.139 1.00 0.00 C ATOM 0 H ILE A 60 3.662 0.121 6.177 1.00 0.00 H new ATOM 0 HA ILE A 60 5.773 1.316 4.878 1.00 0.00 H new ATOM 0 HB ILE A 60 2.856 1.082 4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.376 -0.122 3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.194 -0.932 4.137 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.253 1.990 2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.487 3.216 3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.898 2.465 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.828 -1.474 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.443 -0.566 2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.643 0.257 1.378 1.00 0.00 H new ATOM 955 N ILE A 61 3.581 3.588 5.808 1.00 0.00 N ATOM 956 CA ILE A 61 3.433 5.000 6.119 1.00 0.00 C ATOM 957 C ILE A 61 4.401 5.376 7.242 1.00 0.00 C ATOM 958 O ILE A 61 4.763 6.541 7.390 1.00 0.00 O ATOM 959 CB ILE A 61 1.972 5.329 6.431 1.00 0.00 C ATOM 960 CG1 ILE A 61 1.041 4.767 5.354 1.00 0.00 C ATOM 961 CG2 ILE A 61 1.779 6.834 6.627 1.00 0.00 C ATOM 962 CD1 ILE A 61 -0.173 5.676 5.149 1.00 0.00 C ATOM 0 H ILE A 61 2.724 3.041 5.892 1.00 0.00 H new ATOM 0 HA ILE A 61 3.696 5.610 5.255 1.00 0.00 H new ATOM 0 HB ILE A 61 1.706 4.845 7.371 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.585 4.664 4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.708 3.769 5.640 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.732 7.041 6.848 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.399 7.175 7.456 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.069 7.360 5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.818 5.253 4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.729 5.757 6.083 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.162 6.666 4.839 1.00 0.00 H new ATOM 974 N HIS A 62 4.794 4.365 8.005 1.00 0.00 N ATOM 975 CA HIS A 62 5.713 4.575 9.110 1.00 0.00 C ATOM 976 C HIS A 62 7.062 5.055 8.571 1.00 0.00 C ATOM 977 O HIS A 62 7.785 5.779 9.254 1.00 0.00 O ATOM 978 CB HIS A 62 5.831 3.311 9.965 1.00 0.00 C ATOM 979 CG HIS A 62 7.152 2.592 9.818 1.00 0.00 C ATOM 980 ND1 HIS A 62 7.901 2.320 8.711 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 7.840 2.063 10.895 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 8.988 1.662 9.092 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 8.953 1.501 10.445 1.00 0.00 N flip ATOM 0 H HIS A 62 4.492 3.399 7.879 1.00 0.00 H new ATOM 0 HA HIS A 62 5.326 5.354 9.767 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.689 3.578 11.012 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.025 2.627 9.698 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.524 2.101 11.927 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.772 1.311 8.437 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.659 1.031 11.012 1.00 0.00 H new ATOM 992 N GLU A 63 7.360 4.632 7.351 1.00 0.00 N ATOM 993 CA GLU A 63 8.610 5.010 6.712 1.00 0.00 C ATOM 994 C GLU A 63 8.494 6.409 6.105 1.00 0.00 C ATOM 995 O GLU A 63 9.291 7.293 6.416 1.00 0.00 O ATOM 996 CB GLU A 63 9.017 3.984 5.653 1.00 0.00 C ATOM 997 CG GLU A 63 10.202 3.142 6.131 1.00 0.00 C ATOM 998 CD GLU A 63 11.469 3.993 6.242 1.00 0.00 C ATOM 999 OE1 GLU A 63 11.351 5.123 6.762 1.00 0.00 O ATOM 1000 OE2 GLU A 63 12.528 3.493 5.803 1.00 0.00 O ATOM 0 H GLU A 63 6.758 4.031 6.788 1.00 0.00 H new ATOM 0 HA GLU A 63 9.392 5.029 7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.172 3.334 5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.280 4.496 4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.971 2.699 7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.372 2.319 5.437 1.00 0.00 H new ATOM 1008 N LEU A 64 7.495 6.568 5.250 1.00 0.00 N ATOM 1009 CA LEU A 64 7.263 7.844 4.597 1.00 0.00 C ATOM 1010 C LEU A 64 7.223 8.952 5.651 1.00 0.00 C ATOM 1011 O LEU A 64 7.683 10.066 5.404 1.00 0.00 O ATOM 1012 CB LEU A 64 6.009 7.780 3.724 1.00 0.00 C ATOM 1013 CG LEU A 64 6.009 6.714 2.626 1.00 0.00 C ATOM 1014 CD1 LEU A 64 4.600 6.499 2.069 1.00 0.00 C ATOM 1015 CD2 LEU A 64 7.013 7.062 1.524 1.00 0.00 C ATOM 0 H LEU A 64 6.836 5.833 4.994 1.00 0.00 H new ATOM 0 HA LEU A 64 8.083 8.079 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.149 7.607 4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.866 8.754 3.257 1.00 0.00 H new ATOM 0 HG LEU A 64 6.328 5.770 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.629 5.737 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.937 6.174 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.229 7.433 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.993 6.289 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.748 8.021 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.014 7.124 1.950 1.00 0.00 H new ATOM 1027 N GLU A 65 6.667 8.609 6.803 1.00 0.00 N ATOM 1028 CA GLU A 65 6.561 9.561 7.896 1.00 0.00 C ATOM 1029 C GLU A 65 7.946 9.867 8.470 1.00 0.00 C ATOM 1030 O GLU A 65 8.225 11.002 8.854 1.00 0.00 O ATOM 1031 CB GLU A 65 5.619 9.043 8.984 1.00 0.00 C ATOM 1032 CG GLU A 65 4.180 9.491 8.724 1.00 0.00 C ATOM 1033 CD GLU A 65 3.577 10.149 9.966 1.00 0.00 C ATOM 1034 OE1 GLU A 65 3.011 9.398 10.788 1.00 0.00 O ATOM 1035 OE2 GLU A 65 3.696 11.390 10.066 1.00 0.00 O ATOM 0 H GLU A 65 6.285 7.685 7.004 1.00 0.00 H new ATOM 0 HA GLU A 65 6.138 10.487 7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.664 7.955 9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.947 9.408 9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.159 10.193 7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.575 8.632 8.433 1.00 0.00 H new ATOM 1043 N GLY A 66 8.776 8.835 8.509 1.00 0.00 N ATOM 1044 CA GLY A 66 10.126 8.980 9.030 1.00 0.00 C ATOM 1045 C GLY A 66 10.969 9.878 8.122 1.00 0.00 C ATOM 1046 O GLY A 66 11.726 10.720 8.606 1.00 0.00 O ATOM 0 H GLY A 66 8.541 7.896 8.189 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.089 9.403 10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.595 7.999 9.115 1.00 0.00 H new ATOM 1050 N GLY A 67 10.812 9.669 6.824 1.00 0.00 N ATOM 1051 CA GLY A 67 11.550 10.448 5.845 1.00 0.00 C ATOM 1052 C GLY A 67 11.927 9.593 4.634 1.00 0.00 C ATOM 1053 O GLY A 67 12.339 10.120 3.602 1.00 0.00 O ATOM 0 H GLY A 67 10.184 8.970 6.427 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.947 11.297 5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.452 10.854 6.303 1.00 0.00 H new ATOM 1057 N THR A 68 11.771 8.289 4.800 1.00 0.00 N ATOM 1058 CA THR A 68 12.090 7.355 3.733 1.00 0.00 C ATOM 1059 C THR A 68 11.279 7.683 2.478 1.00 0.00 C ATOM 1060 O THR A 68 10.190 8.247 2.568 1.00 0.00 O ATOM 1061 CB THR A 68 11.851 5.938 4.258 1.00 0.00 C ATOM 1062 OG1 THR A 68 12.977 5.682 5.092 1.00 0.00 O ATOM 1063 CG2 THR A 68 11.955 4.881 3.157 1.00 0.00 C ATOM 0 H THR A 68 11.428 7.856 5.657 1.00 0.00 H new ATOM 0 HA THR A 68 13.136 7.435 3.436 1.00 0.00 H new ATOM 0 HB THR A 68 10.866 5.884 4.721 1.00 0.00 H new ATOM 0 HG1 THR A 68 13.185 4.725 5.076 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.777 3.893 3.583 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.211 5.084 2.387 1.00 0.00 H new ATOM 0 HG23 THR A 68 12.951 4.912 2.716 1.00 0.00 H new ATOM 1071 N ALA A 69 11.842 7.315 1.336 1.00 0.00 N ATOM 1072 CA ALA A 69 11.185 7.563 0.064 1.00 0.00 C ATOM 1073 C ALA A 69 10.116 6.494 -0.170 1.00 0.00 C ATOM 1074 O ALA A 69 10.168 5.418 0.423 1.00 0.00 O ATOM 1075 CB ALA A 69 12.230 7.595 -1.053 1.00 0.00 C ATOM 0 H ALA A 69 12.746 6.847 1.265 1.00 0.00 H new ATOM 0 HA ALA A 69 10.686 8.532 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.737 7.781 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.950 8.389 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.749 6.637 -1.093 1.00 0.00 H new ATOM 1081 N PRO A 70 9.145 6.836 -1.058 1.00 0.00 N ATOM 1082 CA PRO A 70 8.065 5.920 -1.378 1.00 0.00 C ATOM 1083 C PRO A 70 8.554 4.794 -2.293 1.00 0.00 C ATOM 1084 O PRO A 70 7.998 4.581 -3.370 1.00 0.00 O ATOM 1085 CB PRO A 70 6.991 6.783 -2.020 1.00 0.00 C ATOM 1086 CG PRO A 70 7.691 8.059 -2.458 1.00 0.00 C ATOM 1087 CD PRO A 70 9.050 8.103 -1.780 1.00 0.00 C ATOM 0 HA PRO A 70 7.672 5.410 -0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.537 6.274 -2.871 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.190 7.000 -1.314 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.805 8.079 -3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.099 8.932 -2.183 1.00 0.00 H new ATOM 0 HD2 PRO A 70 9.853 8.204 -2.510 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.127 8.952 -1.101 1.00 0.00 H new ATOM 1095 N LYS A 71 9.586 4.106 -1.832 1.00 0.00 N ATOM 1096 CA LYS A 71 10.155 3.009 -2.595 1.00 0.00 C ATOM 1097 C LYS A 71 11.070 2.183 -1.688 1.00 0.00 C ATOM 1098 O LYS A 71 11.043 0.954 -1.726 1.00 0.00 O ATOM 1099 CB LYS A 71 10.850 3.535 -3.853 1.00 0.00 C ATOM 1100 CG LYS A 71 11.743 4.733 -3.525 1.00 0.00 C ATOM 1101 CD LYS A 71 11.300 5.975 -4.302 1.00 0.00 C ATOM 1102 CE LYS A 71 11.731 5.889 -5.767 1.00 0.00 C ATOM 1103 NZ LYS A 71 12.923 6.734 -6.007 1.00 0.00 N ATOM 0 H LYS A 71 10.044 4.287 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 71 9.368 2.342 -2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.449 2.742 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.103 3.825 -4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.706 4.937 -2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.779 4.497 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.216 6.077 -4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.729 6.866 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.953 4.854 -6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.914 6.211 -6.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.202 6.664 -7.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.699 7.723 -5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.706 6.409 -5.405 1.00 0.00 H new ATOM 1117 N ASP A 72 11.859 2.891 -0.893 1.00 0.00 N ATOM 1118 CA ASP A 72 12.780 2.239 0.022 1.00 0.00 C ATOM 1119 C ASP A 72 12.022 1.802 1.278 1.00 0.00 C ATOM 1120 O ASP A 72 12.607 1.222 2.190 1.00 0.00 O ATOM 1121 CB ASP A 72 13.898 3.191 0.451 1.00 0.00 C ATOM 1122 CG ASP A 72 15.165 2.509 0.969 1.00 0.00 C ATOM 1123 OD1 ASP A 72 15.125 2.042 2.129 1.00 0.00 O ATOM 1124 OD2 ASP A 72 16.145 2.469 0.195 1.00 0.00 O ATOM 0 H ASP A 72 11.879 3.910 -0.864 1.00 0.00 H new ATOM 0 HA ASP A 72 13.215 1.382 -0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.164 3.821 -0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.514 3.850 1.229 1.00 0.00 H new ATOM 1130 N VAL A 73 10.731 2.100 1.283 1.00 0.00 N ATOM 1131 CA VAL A 73 9.886 1.746 2.412 1.00 0.00 C ATOM 1132 C VAL A 73 9.756 0.224 2.488 1.00 0.00 C ATOM 1133 O VAL A 73 10.569 -0.441 3.127 1.00 0.00 O ATOM 1134 CB VAL A 73 8.537 2.457 2.298 1.00 0.00 C ATOM 1135 CG1 VAL A 73 7.543 1.915 3.327 1.00 0.00 C ATOM 1136 CG2 VAL A 73 8.700 3.972 2.440 1.00 0.00 C ATOM 0 H VAL A 73 10.249 2.582 0.524 1.00 0.00 H new ATOM 0 HA VAL A 73 10.336 2.080 3.347 1.00 0.00 H new ATOM 0 HB VAL A 73 8.136 2.255 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.592 2.438 3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.391 0.849 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.937 2.072 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.725 4.452 2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.134 4.202 3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.357 4.343 1.653 1.00 0.00 H new ATOM 1146 N CYS A 74 8.725 -0.283 1.826 1.00 0.00 N ATOM 1147 CA CYS A 74 8.478 -1.715 1.812 1.00 0.00 C ATOM 1148 C CYS A 74 9.827 -2.435 1.756 1.00 0.00 C ATOM 1149 O CYS A 74 10.037 -3.421 2.462 1.00 0.00 O ATOM 1150 CB CYS A 74 7.568 -2.119 0.650 1.00 0.00 C ATOM 1151 SG CYS A 74 7.730 -1.083 -0.849 1.00 0.00 S ATOM 0 H CYS A 74 8.052 0.272 1.296 1.00 0.00 H new ATOM 0 HA CYS A 74 7.950 -2.005 2.721 1.00 0.00 H new ATOM 0 HB2 CYS A 74 7.781 -3.154 0.384 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.533 -2.083 0.989 1.00 0.00 H new ATOM 1156 N THR A 75 10.705 -1.915 0.912 1.00 0.00 N ATOM 1157 CA THR A 75 12.028 -2.497 0.756 1.00 0.00 C ATOM 1158 C THR A 75 12.580 -2.937 2.113 1.00 0.00 C ATOM 1159 O THR A 75 12.389 -4.082 2.523 1.00 0.00 O ATOM 1160 CB THR A 75 12.914 -1.473 0.043 1.00 0.00 C ATOM 1161 OG1 THR A 75 12.317 -1.333 -1.243 1.00 0.00 O ATOM 1162 CG2 THR A 75 14.314 -2.013 -0.251 1.00 0.00 C ATOM 0 H THR A 75 10.527 -1.097 0.329 1.00 0.00 H new ATOM 0 HA THR A 75 11.994 -3.400 0.146 1.00 0.00 H new ATOM 0 HB THR A 75 12.994 -0.574 0.655 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.004 -0.412 -1.360 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.901 -1.246 -0.757 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.803 -2.285 0.684 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.238 -2.893 -0.890 1.00 0.00 H new ATOM 1170 N LYS A 76 13.254 -2.007 2.772 1.00 0.00 N ATOM 1171 CA LYS A 76 13.835 -2.286 4.075 1.00 0.00 C ATOM 1172 C LYS A 76 12.754 -2.849 5.001 1.00 0.00 C ATOM 1173 O LYS A 76 13.065 -3.507 5.993 1.00 0.00 O ATOM 1174 CB LYS A 76 14.530 -1.039 4.629 1.00 0.00 C ATOM 1175 CG LYS A 76 13.507 -0.017 5.129 1.00 0.00 C ATOM 1176 CD LYS A 76 14.076 0.806 6.287 1.00 0.00 C ATOM 1177 CE LYS A 76 14.272 -0.061 7.531 1.00 0.00 C ATOM 1178 NZ LYS A 76 15.503 0.338 8.251 1.00 0.00 N ATOM 0 H LYS A 76 13.411 -1.059 2.429 1.00 0.00 H new ATOM 0 HA LYS A 76 14.612 -3.046 3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.196 -1.322 5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.150 -0.589 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.221 0.646 4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.602 -0.531 5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.029 1.245 5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.402 1.631 6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.410 0.038 8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.335 -1.111 7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.622 -0.260 9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.325 0.221 7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.428 1.334 8.541 1.00 0.00 H new ATOM 1192 N LEU A 77 11.510 -2.572 4.643 1.00 0.00 N ATOM 1193 CA LEU A 77 10.382 -3.044 5.429 1.00 0.00 C ATOM 1194 C LEU A 77 10.163 -4.533 5.155 1.00 0.00 C ATOM 1195 O LEU A 77 9.255 -5.144 5.717 1.00 0.00 O ATOM 1196 CB LEU A 77 9.147 -2.181 5.164 1.00 0.00 C ATOM 1197 CG LEU A 77 8.889 -1.053 6.166 1.00 0.00 C ATOM 1198 CD1 LEU A 77 8.404 -1.610 7.506 1.00 0.00 C ATOM 1199 CD2 LEU A 77 10.129 -0.171 6.328 1.00 0.00 C ATOM 0 H LEU A 77 11.257 -2.027 3.819 1.00 0.00 H new ATOM 0 HA LEU A 77 10.590 -2.943 6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.241 -1.743 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.272 -2.830 5.145 1.00 0.00 H new ATOM 0 HG LEU A 77 8.092 -0.422 5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.228 -0.788 8.200 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.477 -2.163 7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.161 -2.277 7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.920 0.623 7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.961 -0.776 6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.391 0.269 5.366 1.00 0.00 H new ATOM 1211 N ASN A 78 11.009 -5.074 4.291 1.00 0.00 N ATOM 1212 CA ASN A 78 10.919 -6.481 3.936 1.00 0.00 C ATOM 1213 C ASN A 78 9.602 -6.732 3.199 1.00 0.00 C ATOM 1214 O ASN A 78 9.224 -7.881 2.971 1.00 0.00 O ATOM 1215 CB ASN A 78 10.941 -7.366 5.183 1.00 0.00 C ATOM 1216 CG ASN A 78 12.055 -6.939 6.139 1.00 0.00 C ATOM 1217 OD1 ASN A 78 12.983 -6.233 5.777 1.00 0.00 O ATOM 1218 ND2 ASN A 78 11.914 -7.404 7.377 1.00 0.00 N ATOM 0 H ASN A 78 11.760 -4.564 3.826 1.00 0.00 H new ATOM 0 HA ASN A 78 11.774 -6.726 3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.979 -7.308 5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.086 -8.407 4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.606 -7.174 8.090 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.113 -7.990 7.614 1.00 0.00 H new ATOM 1225 N GLU A 79 8.937 -5.640 2.849 1.00 0.00 N ATOM 1226 CA GLU A 79 7.671 -5.729 2.144 1.00 0.00 C ATOM 1227 C GLU A 79 7.902 -5.702 0.633 1.00 0.00 C ATOM 1228 O GLU A 79 7.086 -6.214 -0.133 1.00 0.00 O ATOM 1229 CB GLU A 79 6.724 -4.605 2.574 1.00 0.00 C ATOM 1230 CG GLU A 79 5.393 -5.171 3.072 1.00 0.00 C ATOM 1231 CD GLU A 79 4.506 -5.599 1.900 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.695 -5.023 0.806 1.00 0.00 O ATOM 1233 OE2 GLU A 79 3.660 -6.491 2.124 1.00 0.00 O ATOM 0 H GLU A 79 9.252 -4.689 3.041 1.00 0.00 H new ATOM 0 HA GLU A 79 7.199 -6.677 2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.190 -4.014 3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.546 -3.933 1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.578 -6.025 3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.875 -4.421 3.669 1.00 0.00 H new ATOM 1241 N CYS A 80 9.017 -5.100 0.247 1.00 0.00 N ATOM 1242 CA CYS A 80 9.366 -5.001 -1.161 1.00 0.00 C ATOM 1243 C CYS A 80 10.728 -5.665 -1.366 1.00 0.00 C ATOM 1244 O CYS A 80 11.658 -5.434 -0.595 1.00 0.00 O ATOM 1245 CB CYS A 80 9.361 -3.549 -1.643 1.00 0.00 C ATOM 1246 SG CYS A 80 7.789 -2.997 -2.399 1.00 0.00 S ATOM 0 H CYS A 80 9.691 -4.676 0.884 1.00 0.00 H new ATOM 0 HA CYS A 80 8.617 -5.518 -1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 80 9.589 -2.900 -0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.163 -3.419 -2.370 1.00 0.00 H new ATOM 1251 N PRO A 81 10.805 -6.500 -2.438 1.00 0.00 N ATOM 1252 CA PRO A 81 9.656 -6.717 -3.301 1.00 0.00 C ATOM 1253 C PRO A 81 8.627 -7.625 -2.624 1.00 0.00 C ATOM 1254 O PRO A 81 8.970 -8.697 -2.127 1.00 0.00 O ATOM 1255 CB PRO A 81 10.229 -7.316 -4.575 1.00 0.00 C ATOM 1256 CG PRO A 81 11.607 -7.840 -4.206 1.00 0.00 C ATOM 1257 CD PRO A 81 11.983 -7.255 -2.855 1.00 0.00 C ATOM 0 HA PRO A 81 9.113 -5.797 -3.518 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.593 -8.118 -4.950 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.294 -6.567 -5.364 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.602 -8.929 -4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.339 -7.555 -4.962 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.225 -8.039 -2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.859 -6.611 -2.932 1.00 0.00 H new