USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=13 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= -0.337 K(o=-0.42,f=-5.3!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 175:sc= -0.0804 (180deg=-0.241) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 8 MET CE :methyl 148:sc= -1.02 (180deg=-4.95!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.177 USER MOD Single : A 19 SER OG : rot -85:sc= 0.88 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.007) 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= -5.84! C(o=-5.8!,f=-4.4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=-0.014) USER MOD Single : A 52 TYR OH : rot 68:sc= -2.37 USER MOD Single : A 54 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.3!) 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 : no HD1:sc= -14.6! C(o=-15!,f=-20!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 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= -0.434 K(o=-0.43,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 46 N LEU A 4 8.962 3.988 -5.436 1.00 0.00 N ATOM 47 CA LEU A 4 7.671 3.411 -5.767 1.00 0.00 C ATOM 48 C LEU A 4 7.067 2.772 -4.515 1.00 0.00 C ATOM 49 O LEU A 4 5.883 2.438 -4.494 1.00 0.00 O ATOM 50 CB LEU A 4 7.801 2.446 -6.946 1.00 0.00 C ATOM 51 CG LEU A 4 8.004 0.972 -6.589 1.00 0.00 C ATOM 52 CD1 LEU A 4 8.566 0.191 -7.778 1.00 0.00 C ATOM 53 CD2 LEU A 4 8.877 0.825 -5.342 1.00 0.00 C ATOM 0 HA LEU A 4 6.980 4.188 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.904 2.530 -7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.640 2.769 -7.563 1.00 0.00 H new ATOM 0 HG LEU A 4 7.031 0.541 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.700 -0.853 -7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.872 0.254 -8.616 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.527 0.615 -8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.005 -0.232 -5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.852 1.277 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.397 1.325 -4.501 1.00 0.00 H new ATOM 65 N SER A 5 7.907 2.623 -3.501 1.00 0.00 N ATOM 66 CA SER A 5 7.471 2.030 -2.248 1.00 0.00 C ATOM 67 C SER A 5 6.459 2.949 -1.559 1.00 0.00 C ATOM 68 O SER A 5 5.395 2.499 -1.136 1.00 0.00 O ATOM 69 CB SER A 5 8.659 1.760 -1.323 1.00 0.00 C ATOM 70 OG SER A 5 8.324 0.855 -0.274 1.00 0.00 O ATOM 0 H SER A 5 8.888 2.903 -3.522 1.00 0.00 H new ATOM 0 HA SER A 5 6.994 1.075 -2.469 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.486 1.351 -1.904 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.005 2.700 -0.894 1.00 0.00 H new ATOM 0 HG SER A 5 9.109 0.707 0.294 1.00 0.00 H new ATOM 76 N CYS A 6 6.828 4.218 -1.467 1.00 0.00 N ATOM 77 CA CYS A 6 5.966 5.204 -0.837 1.00 0.00 C ATOM 78 C CYS A 6 4.619 5.197 -1.562 1.00 0.00 C ATOM 79 O CYS A 6 3.581 4.953 -0.948 1.00 0.00 O ATOM 80 CB CYS A 6 6.605 6.594 -0.833 1.00 0.00 C ATOM 81 SG CYS A 6 5.421 7.982 -0.683 1.00 0.00 S ATOM 0 H CYS A 6 7.712 4.586 -1.818 1.00 0.00 H new ATOM 0 HA CYS A 6 5.815 4.943 0.210 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.315 6.650 -0.008 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.175 6.719 -1.753 1.00 0.00 H new ATOM 0 HG CYS A 6 6.070 9.108 -0.688 1.00 0.00 H new ATOM 86 N GLN A 7 4.678 5.468 -2.857 1.00 0.00 N ATOM 87 CA GLN A 7 3.474 5.497 -3.671 1.00 0.00 C ATOM 88 C GLN A 7 2.573 4.308 -3.329 1.00 0.00 C ATOM 89 O GLN A 7 1.389 4.483 -3.049 1.00 0.00 O ATOM 90 CB GLN A 7 3.822 5.510 -5.161 1.00 0.00 C ATOM 91 CG GLN A 7 3.811 6.937 -5.714 1.00 0.00 C ATOM 92 CD GLN A 7 2.914 7.040 -6.949 1.00 0.00 C ATOM 93 OE1 GLN A 7 1.712 6.844 -6.894 1.00 0.00 O ATOM 94 NE2 GLN A 7 3.565 7.358 -8.065 1.00 0.00 N ATOM 0 H GLN A 7 5.540 5.670 -3.363 1.00 0.00 H new ATOM 0 HA GLN A 7 2.930 6.415 -3.449 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.805 5.065 -5.312 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.107 4.898 -5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.459 7.626 -4.946 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.826 7.239 -5.971 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.574 7.509 -8.042 1.00 0.00 H new ATOM 0 HE22 GLN A 7 3.056 7.451 -8.944 1.00 0.00 H new ATOM 103 N MET A 8 3.170 3.126 -3.362 1.00 0.00 N ATOM 104 CA MET A 8 2.436 1.909 -3.059 1.00 0.00 C ATOM 105 C MET A 8 1.616 2.068 -1.778 1.00 0.00 C ATOM 106 O MET A 8 0.528 1.506 -1.659 1.00 0.00 O ATOM 107 CB MET A 8 3.418 0.747 -2.896 1.00 0.00 C ATOM 108 CG MET A 8 3.994 0.322 -4.248 1.00 0.00 C ATOM 109 SD MET A 8 5.552 -0.517 -4.012 1.00 0.00 S ATOM 110 CE MET A 8 5.637 -1.449 -5.532 1.00 0.00 C ATOM 0 H MET A 8 4.153 2.985 -3.594 1.00 0.00 H new ATOM 0 HA MET A 8 1.752 1.705 -3.883 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.228 1.041 -2.228 1.00 0.00 H new ATOM 0 HB3 MET A 8 2.912 -0.099 -2.430 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.292 -0.335 -4.761 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.135 1.196 -4.883 1.00 0.00 H new ATOM 0 HE1 MET A 8 6.679 -1.560 -5.833 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.196 -2.434 -5.380 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.088 -0.923 -6.313 1.00 0.00 H new ATOM 120 N CYS A 9 2.169 2.837 -0.851 1.00 0.00 N ATOM 121 CA CYS A 9 1.502 3.077 0.417 1.00 0.00 C ATOM 122 C CYS A 9 0.191 3.816 0.138 1.00 0.00 C ATOM 123 O CYS A 9 -0.821 3.559 0.788 1.00 0.00 O ATOM 124 CB CYS A 9 2.397 3.848 1.390 1.00 0.00 C ATOM 125 SG CYS A 9 2.215 5.668 1.322 1.00 0.00 S ATOM 0 H CYS A 9 3.071 3.302 -0.953 1.00 0.00 H new ATOM 0 HA CYS A 9 1.285 2.126 0.903 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.180 3.513 2.404 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.437 3.593 1.185 1.00 0.00 H new ATOM 130 N GLU A 10 0.254 4.722 -0.828 1.00 0.00 N ATOM 131 CA GLU A 10 -0.915 5.499 -1.201 1.00 0.00 C ATOM 132 C GLU A 10 -1.894 4.637 -2.000 1.00 0.00 C ATOM 133 O GLU A 10 -2.998 5.078 -2.317 1.00 0.00 O ATOM 134 CB GLU A 10 -0.514 6.748 -1.989 1.00 0.00 C ATOM 135 CG GLU A 10 -1.488 7.898 -1.728 1.00 0.00 C ATOM 136 CD GLU A 10 -1.213 9.074 -2.667 1.00 0.00 C ATOM 137 OE1 GLU A 10 -0.302 9.864 -2.338 1.00 0.00 O ATOM 138 OE2 GLU A 10 -1.921 9.155 -3.695 1.00 0.00 O ATOM 0 H GLU A 10 1.096 4.935 -1.363 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.414 5.829 -0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.495 7.051 -1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.494 6.519 -3.054 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.512 7.550 -1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.399 8.226 -0.692 1.00 0.00 H new ATOM 146 N LEU A 11 -1.455 3.425 -2.302 1.00 0.00 N ATOM 147 CA LEU A 11 -2.280 2.497 -3.058 1.00 0.00 C ATOM 148 C LEU A 11 -3.070 1.616 -2.088 1.00 0.00 C ATOM 149 O LEU A 11 -4.238 1.315 -2.327 1.00 0.00 O ATOM 150 CB LEU A 11 -1.424 1.706 -4.049 1.00 0.00 C ATOM 151 CG LEU A 11 -2.136 0.575 -4.796 1.00 0.00 C ATOM 152 CD1 LEU A 11 -3.211 1.129 -5.732 1.00 0.00 C ATOM 153 CD2 LEU A 11 -1.131 -0.309 -5.537 1.00 0.00 C ATOM 0 H LEU A 11 -0.539 3.063 -2.037 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.008 3.039 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.018 2.401 -4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.577 1.282 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.640 -0.055 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.702 0.305 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.949 1.683 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.750 1.794 -6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.662 -1.105 -6.059 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.579 0.293 -6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.435 -0.747 -4.822 1.00 0.00 H new ATOM 165 N VAL A 12 -2.400 1.227 -1.012 1.00 0.00 N ATOM 166 CA VAL A 12 -3.025 0.387 -0.005 1.00 0.00 C ATOM 167 C VAL A 12 -4.017 1.223 0.806 1.00 0.00 C ATOM 168 O VAL A 12 -5.153 0.804 1.026 1.00 0.00 O ATOM 169 CB VAL A 12 -1.952 -0.275 0.862 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.902 -0.973 -0.003 1.00 0.00 C ATOM 171 CG2 VAL A 12 -1.302 0.741 1.802 1.00 0.00 C ATOM 0 H VAL A 12 -1.431 1.478 -0.816 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.588 -0.419 -0.475 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.438 -1.034 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.151 -1.435 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.382 -1.740 -0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.423 -0.242 -0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.543 0.244 2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.837 1.534 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.062 1.171 2.455 1.00 0.00 H new ATOM 181 N VAL A 13 -3.553 2.390 1.228 1.00 0.00 N ATOM 182 CA VAL A 13 -4.386 3.289 2.010 1.00 0.00 C ATOM 183 C VAL A 13 -5.570 3.749 1.158 1.00 0.00 C ATOM 184 O VAL A 13 -6.724 3.519 1.516 1.00 0.00 O ATOM 185 CB VAL A 13 -3.545 4.450 2.543 1.00 0.00 C ATOM 186 CG1 VAL A 13 -2.432 3.944 3.463 1.00 0.00 C ATOM 187 CG2 VAL A 13 -2.971 5.284 1.396 1.00 0.00 C ATOM 0 H VAL A 13 -2.611 2.734 1.043 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.793 2.774 2.880 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.199 5.094 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.849 4.790 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.871 3.414 4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.782 3.267 2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.377 6.103 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.339 4.655 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.787 5.690 0.798 1.00 0.00 H new ATOM 197 N LYS A 14 -5.244 4.393 0.047 1.00 0.00 N ATOM 198 CA LYS A 14 -6.266 4.888 -0.858 1.00 0.00 C ATOM 199 C LYS A 14 -7.342 3.815 -1.043 1.00 0.00 C ATOM 200 O LYS A 14 -8.525 4.132 -1.160 1.00 0.00 O ATOM 201 CB LYS A 14 -5.638 5.360 -2.171 1.00 0.00 C ATOM 202 CG LYS A 14 -6.700 5.925 -3.116 1.00 0.00 C ATOM 203 CD LYS A 14 -6.239 7.248 -3.732 1.00 0.00 C ATOM 204 CE LYS A 14 -5.570 7.017 -5.088 1.00 0.00 C ATOM 205 NZ LYS A 14 -6.446 7.484 -6.185 1.00 0.00 N ATOM 0 H LYS A 14 -4.286 4.583 -0.247 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.757 5.764 -0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.887 6.123 -1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.124 4.528 -2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.908 5.205 -3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.632 6.079 -2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.093 7.914 -3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.541 7.744 -3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.618 7.546 -5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.351 5.957 -5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.976 7.320 -7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.344 6.961 -6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.634 8.500 -6.070 1.00 0.00 H new ATOM 219 N LYS A 15 -6.893 2.569 -1.062 1.00 0.00 N ATOM 220 CA LYS A 15 -7.802 1.448 -1.229 1.00 0.00 C ATOM 221 C LYS A 15 -8.522 1.180 0.093 1.00 0.00 C ATOM 222 O LYS A 15 -9.710 0.856 0.103 1.00 0.00 O ATOM 223 CB LYS A 15 -7.056 0.232 -1.781 1.00 0.00 C ATOM 224 CG LYS A 15 -6.640 0.457 -3.235 1.00 0.00 C ATOM 225 CD LYS A 15 -7.849 0.391 -4.169 1.00 0.00 C ATOM 226 CE LYS A 15 -7.435 0.633 -5.622 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.629 0.831 -6.475 1.00 0.00 N ATOM 0 H LYS A 15 -5.911 2.311 -0.964 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.568 1.685 -1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.173 0.036 -1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.692 -0.651 -1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.154 1.428 -3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.908 -0.296 -3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.328 -0.584 -4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.586 1.136 -3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.789 1.509 -5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.856 -0.215 -5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.330 0.994 -7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.231 -0.016 -6.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.166 1.654 -6.135 1.00 0.00 H new ATOM 241 N TYR A 16 -7.776 1.324 1.178 1.00 0.00 N ATOM 242 CA TYR A 16 -8.329 1.101 2.503 1.00 0.00 C ATOM 243 C TYR A 16 -9.191 2.286 2.943 1.00 0.00 C ATOM 244 O TYR A 16 -10.417 2.187 2.979 1.00 0.00 O ATOM 245 CB TYR A 16 -7.130 0.981 3.446 1.00 0.00 C ATOM 246 CG TYR A 16 -7.508 0.879 4.924 1.00 0.00 C ATOM 247 CD1 TYR A 16 -8.809 0.592 5.285 1.00 0.00 C ATOM 248 CD2 TYR A 16 -6.550 1.077 5.897 1.00 0.00 C ATOM 249 CE1 TYR A 16 -9.166 0.497 6.677 1.00 0.00 C ATOM 250 CE2 TYR A 16 -6.907 0.982 7.290 1.00 0.00 C ATOM 251 CZ TYR A 16 -8.197 0.697 7.611 1.00 0.00 C ATOM 252 OH TYR A 16 -8.534 0.607 8.925 1.00 0.00 O ATOM 0 H TYR A 16 -6.792 1.593 1.167 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.958 0.211 2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.550 0.101 3.169 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.483 1.847 3.306 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.559 0.439 4.523 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.532 1.303 5.615 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.180 0.272 6.973 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.167 1.134 8.061 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.273 -0.028 9.030 1.00 0.00 H new ATOM 262 N GLU A 17 -8.516 3.380 3.267 1.00 0.00 N ATOM 263 CA GLU A 17 -9.206 4.581 3.703 1.00 0.00 C ATOM 264 C GLU A 17 -10.446 4.825 2.841 1.00 0.00 C ATOM 265 O GLU A 17 -11.436 5.383 3.313 1.00 0.00 O ATOM 266 CB GLU A 17 -8.271 5.792 3.674 1.00 0.00 C ATOM 267 CG GLU A 17 -8.011 6.249 2.238 1.00 0.00 C ATOM 268 CD GLU A 17 -9.205 7.034 1.689 1.00 0.00 C ATOM 269 OE1 GLU A 17 -9.909 7.649 2.518 1.00 0.00 O ATOM 270 OE2 GLU A 17 -9.385 7.002 0.452 1.00 0.00 O ATOM 0 H GLU A 17 -7.500 3.459 3.236 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.528 4.436 4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.711 6.609 4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.327 5.538 4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.116 6.871 2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.819 5.382 1.606 1.00 0.00 H new ATOM 278 N GLY A 18 -10.351 4.397 1.591 1.00 0.00 N ATOM 279 CA GLY A 18 -11.453 4.562 0.658 1.00 0.00 C ATOM 280 C GLY A 18 -11.927 3.208 0.125 1.00 0.00 C ATOM 281 O GLY A 18 -12.236 3.076 -1.059 1.00 0.00 O ATOM 0 H GLY A 18 -9.528 3.936 1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.280 5.072 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.140 5.194 -0.173 1.00 0.00 H new ATOM 285 N SER A 19 -11.972 2.237 1.025 1.00 0.00 N ATOM 286 CA SER A 19 -12.403 0.898 0.660 1.00 0.00 C ATOM 287 C SER A 19 -13.930 0.849 0.566 1.00 0.00 C ATOM 288 O SER A 19 -14.479 0.450 -0.460 1.00 0.00 O ATOM 289 CB SER A 19 -11.900 -0.137 1.668 1.00 0.00 C ATOM 290 OG SER A 19 -11.927 0.361 3.003 1.00 0.00 O ATOM 0 H SER A 19 -11.717 2.351 2.006 1.00 0.00 H new ATOM 0 HA SER A 19 -11.976 0.654 -0.313 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.515 -1.035 1.603 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.882 -0.429 1.410 1.00 0.00 H new ATOM 0 HG SER A 19 -11.106 0.866 3.180 1.00 0.00 H new ATOM 296 N ALA A 20 -14.572 1.258 1.649 1.00 0.00 N ATOM 297 CA ALA A 20 -16.024 1.266 1.702 1.00 0.00 C ATOM 298 C ALA A 20 -16.523 -0.130 2.081 1.00 0.00 C ATOM 299 O ALA A 20 -17.716 -0.326 2.307 1.00 0.00 O ATOM 300 CB ALA A 20 -16.581 1.739 0.358 1.00 0.00 C ATOM 0 H ALA A 20 -14.113 1.587 2.498 1.00 0.00 H new ATOM 0 HA ALA A 20 -16.377 1.961 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -17.670 1.745 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.220 2.746 0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -16.250 1.063 -0.431 1.00 0.00 H new ATOM 306 N ASP A 21 -15.585 -1.064 2.138 1.00 0.00 N ATOM 307 CA ASP A 21 -15.914 -2.436 2.485 1.00 0.00 C ATOM 308 C ASP A 21 -15.285 -2.780 3.837 1.00 0.00 C ATOM 309 O ASP A 21 -15.691 -3.742 4.488 1.00 0.00 O ATOM 310 CB ASP A 21 -15.368 -3.414 1.445 1.00 0.00 C ATOM 311 CG ASP A 21 -13.921 -3.859 1.673 1.00 0.00 C ATOM 312 OD1 ASP A 21 -13.154 -3.036 2.218 1.00 0.00 O ATOM 313 OD2 ASP A 21 -13.616 -5.012 1.298 1.00 0.00 O ATOM 0 H ASP A 21 -14.597 -0.897 1.950 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.000 -2.523 2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.006 -4.298 1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.439 -2.952 0.461 1.00 0.00 H new ATOM 319 N LYS A 22 -14.302 -1.977 4.217 1.00 0.00 N ATOM 320 CA LYS A 22 -13.612 -2.186 5.479 1.00 0.00 C ATOM 321 C LYS A 22 -13.096 -3.625 5.541 1.00 0.00 C ATOM 322 O LYS A 22 -13.520 -4.403 6.395 1.00 0.00 O ATOM 323 CB LYS A 22 -14.515 -1.804 6.653 1.00 0.00 C ATOM 324 CG LYS A 22 -15.231 -0.478 6.386 1.00 0.00 C ATOM 325 CD LYS A 22 -14.229 0.673 6.277 1.00 0.00 C ATOM 326 CE LYS A 22 -14.423 1.678 7.414 1.00 0.00 C ATOM 327 NZ LYS A 22 -13.114 2.174 7.895 1.00 0.00 N ATOM 0 H LYS A 22 -13.967 -1.181 3.674 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.743 -1.533 5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.250 -2.591 6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.920 -1.723 7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.808 -0.551 5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.939 -0.274 7.190 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.213 0.279 6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.350 1.176 5.318 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.031 2.514 7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.965 1.208 8.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.263 2.855 8.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.547 1.375 8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.611 2.641 7.113 1.00 0.00 H new ATOM 341 N ASP A 23 -12.189 -3.936 4.627 1.00 0.00 N ATOM 342 CA ASP A 23 -11.611 -5.267 4.569 1.00 0.00 C ATOM 343 C ASP A 23 -10.166 -5.170 4.077 1.00 0.00 C ATOM 344 O ASP A 23 -9.924 -4.918 2.897 1.00 0.00 O ATOM 345 CB ASP A 23 -12.383 -6.159 3.594 1.00 0.00 C ATOM 346 CG ASP A 23 -12.380 -7.650 3.942 1.00 0.00 C ATOM 347 OD1 ASP A 23 -11.406 -8.077 4.599 1.00 0.00 O ATOM 348 OD2 ASP A 23 -13.351 -8.328 3.542 1.00 0.00 O ATOM 0 H ASP A 23 -11.840 -3.288 3.920 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.657 -5.699 5.569 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.416 -5.814 3.549 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.961 -6.033 2.597 1.00 0.00 H new ATOM 354 N ALA A 24 -9.243 -5.375 5.005 1.00 0.00 N ATOM 355 CA ALA A 24 -7.828 -5.313 4.681 1.00 0.00 C ATOM 356 C ALA A 24 -7.499 -6.395 3.649 1.00 0.00 C ATOM 357 O ALA A 24 -6.430 -6.371 3.041 1.00 0.00 O ATOM 358 CB ALA A 24 -7.004 -5.458 5.961 1.00 0.00 C ATOM 0 H ALA A 24 -9.448 -5.584 5.982 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.576 -4.348 4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.943 -5.411 5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.254 -4.650 6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.227 -6.416 6.431 1.00 0.00 H new ATOM 364 N ASN A 25 -8.436 -7.316 3.484 1.00 0.00 N ATOM 365 CA ASN A 25 -8.259 -8.404 2.538 1.00 0.00 C ATOM 366 C ASN A 25 -8.562 -7.898 1.125 1.00 0.00 C ATOM 367 O ASN A 25 -7.890 -8.281 0.168 1.00 0.00 O ATOM 368 CB ASN A 25 -9.214 -9.560 2.841 1.00 0.00 C ATOM 369 CG ASN A 25 -8.444 -10.864 3.060 1.00 0.00 C ATOM 370 OD1 ASN A 25 -7.283 -10.874 3.435 1.00 0.00 O ATOM 371 ND2 ASN A 25 -9.152 -11.959 2.805 1.00 0.00 N ATOM 0 H ASN A 25 -9.321 -7.331 3.990 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.231 -8.757 2.618 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.802 -9.327 3.729 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.916 -9.682 2.016 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.727 -12.879 2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.120 -11.879 2.494 1.00 0.00 H new ATOM 378 N VAL A 26 -9.573 -7.046 1.040 1.00 0.00 N ATOM 379 CA VAL A 26 -9.973 -6.485 -0.239 1.00 0.00 C ATOM 380 C VAL A 26 -9.147 -5.228 -0.520 1.00 0.00 C ATOM 381 O VAL A 26 -9.217 -4.667 -1.612 1.00 0.00 O ATOM 382 CB VAL A 26 -11.481 -6.225 -0.248 1.00 0.00 C ATOM 383 CG1 VAL A 26 -11.991 -6.006 -1.674 1.00 0.00 C ATOM 384 CG2 VAL A 26 -12.238 -7.365 0.436 1.00 0.00 C ATOM 0 H VAL A 26 -10.127 -6.731 1.836 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.774 -7.191 -1.045 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.667 -5.312 0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.065 -5.823 -1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.486 -5.146 -2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.786 -6.893 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.307 -7.155 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.042 -8.299 -0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.905 -7.454 1.470 1.00 0.00 H new ATOM 394 N ILE A 27 -8.386 -4.822 0.485 1.00 0.00 N ATOM 395 CA ILE A 27 -7.548 -3.642 0.359 1.00 0.00 C ATOM 396 C ILE A 27 -6.159 -4.057 -0.128 1.00 0.00 C ATOM 397 O ILE A 27 -5.711 -3.616 -1.184 1.00 0.00 O ATOM 398 CB ILE A 27 -7.529 -2.856 1.673 1.00 0.00 C ATOM 399 CG1 ILE A 27 -8.922 -2.319 2.010 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.481 -1.744 1.631 1.00 0.00 C ATOM 401 CD1 ILE A 27 -9.020 -1.941 3.489 1.00 0.00 C ATOM 0 H ILE A 27 -8.332 -5.289 1.390 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.958 -2.962 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.243 -3.537 2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.139 -1.447 1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.673 -3.072 1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.488 -1.201 2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.495 -2.179 1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.712 -1.057 0.817 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.020 -1.562 3.702 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.827 -2.821 4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.284 -1.170 3.717 1.00 0.00 H new ATOM 413 N LYS A 28 -5.515 -4.901 0.666 1.00 0.00 N ATOM 414 CA LYS A 28 -4.186 -5.381 0.328 1.00 0.00 C ATOM 415 C LYS A 28 -4.208 -5.982 -1.079 1.00 0.00 C ATOM 416 O LYS A 28 -3.314 -5.722 -1.882 1.00 0.00 O ATOM 417 CB LYS A 28 -3.676 -6.345 1.401 1.00 0.00 C ATOM 418 CG LYS A 28 -4.178 -7.767 1.143 1.00 0.00 C ATOM 419 CD LYS A 28 -3.506 -8.766 2.088 1.00 0.00 C ATOM 420 CE LYS A 28 -3.671 -8.336 3.548 1.00 0.00 C ATOM 421 NZ LYS A 28 -5.104 -8.294 3.917 1.00 0.00 N ATOM 0 H LYS A 28 -5.889 -5.264 1.542 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.475 -4.555 0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.586 -6.337 1.414 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.009 -6.011 2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.259 -7.805 1.277 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.975 -8.046 0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.940 -9.756 1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.446 -8.845 1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.142 -9.031 4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.222 -7.354 3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.195 -8.083 4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.583 -7.554 3.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.542 -9.215 3.714 1.00 0.00 H new ATOM 435 N LYS A 29 -5.239 -6.773 -1.334 1.00 0.00 N ATOM 436 CA LYS A 29 -5.388 -7.412 -2.630 1.00 0.00 C ATOM 437 C LYS A 29 -5.659 -6.346 -3.693 1.00 0.00 C ATOM 438 O LYS A 29 -5.031 -6.345 -4.750 1.00 0.00 O ATOM 439 CB LYS A 29 -6.459 -8.505 -2.568 1.00 0.00 C ATOM 440 CG LYS A 29 -5.865 -9.828 -2.081 1.00 0.00 C ATOM 441 CD LYS A 29 -6.889 -10.621 -1.266 1.00 0.00 C ATOM 442 CE LYS A 29 -8.243 -10.664 -1.978 1.00 0.00 C ATOM 443 NZ LYS A 29 -8.141 -11.435 -3.237 1.00 0.00 N ATOM 0 H LYS A 29 -5.979 -6.986 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.465 -7.917 -2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.262 -8.195 -1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.901 -8.642 -3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.537 -10.420 -2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.983 -9.632 -1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.525 -11.636 -1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.006 -10.167 -0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.989 -11.118 -1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.581 -9.650 -2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.079 -11.498 -3.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.482 -10.957 -3.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.791 -12.392 -3.030 1.00 0.00 H new ATOM 457 N ASP A 30 -6.593 -5.462 -3.374 1.00 0.00 N ATOM 458 CA ASP A 30 -6.954 -4.392 -4.287 1.00 0.00 C ATOM 459 C ASP A 30 -5.684 -3.698 -4.781 1.00 0.00 C ATOM 460 O ASP A 30 -5.480 -3.552 -5.985 1.00 0.00 O ATOM 461 CB ASP A 30 -7.826 -3.344 -3.592 1.00 0.00 C ATOM 462 CG ASP A 30 -9.324 -3.453 -3.884 1.00 0.00 C ATOM 463 OD1 ASP A 30 -9.684 -4.350 -4.675 1.00 0.00 O ATOM 464 OD2 ASP A 30 -10.074 -2.634 -3.309 1.00 0.00 O ATOM 0 H ASP A 30 -7.111 -5.465 -2.495 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.510 -4.830 -5.116 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.674 -3.423 -2.516 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.484 -2.353 -3.890 1.00 0.00 H new ATOM 470 N PHE A 31 -4.862 -3.289 -3.825 1.00 0.00 N ATOM 471 CA PHE A 31 -3.616 -2.614 -4.147 1.00 0.00 C ATOM 472 C PHE A 31 -2.897 -3.313 -5.302 1.00 0.00 C ATOM 473 O PHE A 31 -2.597 -2.689 -6.320 1.00 0.00 O ATOM 474 CB PHE A 31 -2.736 -2.680 -2.898 1.00 0.00 C ATOM 475 CG PHE A 31 -1.247 -2.453 -3.173 1.00 0.00 C ATOM 476 CD1 PHE A 31 -0.470 -3.486 -3.596 1.00 0.00 C ATOM 477 CD2 PHE A 31 -0.703 -1.220 -2.994 1.00 0.00 C ATOM 478 CE1 PHE A 31 0.912 -3.276 -3.851 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.678 -1.009 -3.250 1.00 0.00 C ATOM 480 CZ PHE A 31 1.456 -2.042 -3.672 1.00 0.00 C ATOM 0 H PHE A 31 -5.035 -3.412 -2.827 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.816 -1.586 -4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.081 -1.933 -2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.864 -3.655 -2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.903 -4.465 -3.738 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.321 -0.401 -2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.530 -4.096 -4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.110 -0.029 -3.110 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.507 -1.882 -3.865 1.00 0.00 H new ATOM 490 N ASP A 32 -2.640 -4.598 -5.106 1.00 0.00 N ATOM 491 CA ASP A 32 -1.961 -5.388 -6.119 1.00 0.00 C ATOM 492 C ASP A 32 -2.638 -5.164 -7.473 1.00 0.00 C ATOM 493 O ASP A 32 -1.967 -5.100 -8.502 1.00 0.00 O ATOM 494 CB ASP A 32 -2.036 -6.881 -5.795 1.00 0.00 C ATOM 495 CG ASP A 32 -1.085 -7.767 -6.602 1.00 0.00 C ATOM 496 OD1 ASP A 32 -0.253 -7.188 -7.333 1.00 0.00 O ATOM 497 OD2 ASP A 32 -1.212 -9.004 -6.470 1.00 0.00 O ATOM 0 H ASP A 32 -2.890 -5.112 -4.261 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.917 -5.076 -6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.824 -7.018 -4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.057 -7.223 -5.963 1.00 0.00 H new ATOM 503 N ALA A 33 -3.957 -5.050 -7.428 1.00 0.00 N ATOM 504 CA ALA A 33 -4.731 -4.835 -8.638 1.00 0.00 C ATOM 505 C ALA A 33 -4.127 -3.669 -9.423 1.00 0.00 C ATOM 506 O ALA A 33 -3.761 -3.824 -10.588 1.00 0.00 O ATOM 507 CB ALA A 33 -6.197 -4.594 -8.271 1.00 0.00 C ATOM 0 H ALA A 33 -4.509 -5.103 -6.572 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.696 -5.717 -9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.778 -4.433 -9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.587 -5.463 -7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.272 -3.715 -7.631 1.00 0.00 H new ATOM 513 N GLU A 34 -4.042 -2.528 -8.756 1.00 0.00 N ATOM 514 CA GLU A 34 -3.489 -1.337 -9.377 1.00 0.00 C ATOM 515 C GLU A 34 -1.977 -1.486 -9.559 1.00 0.00 C ATOM 516 O GLU A 34 -1.466 -1.365 -10.671 1.00 0.00 O ATOM 517 CB GLU A 34 -3.823 -0.087 -8.560 1.00 0.00 C ATOM 518 CG GLU A 34 -4.371 1.024 -9.457 1.00 0.00 C ATOM 519 CD GLU A 34 -5.563 0.528 -10.278 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.473 -0.062 -9.658 1.00 0.00 O ATOM 521 OE2 GLU A 34 -5.537 0.752 -11.509 1.00 0.00 O ATOM 0 H GLU A 34 -4.347 -2.403 -7.791 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.943 -1.220 -10.361 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.557 -0.335 -7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.929 0.264 -8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.674 1.874 -8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.586 1.377 -10.126 1.00 0.00 H new ATOM 529 N CYS A 35 -1.303 -1.747 -8.447 1.00 0.00 N ATOM 530 CA CYS A 35 0.140 -1.914 -8.470 1.00 0.00 C ATOM 531 C CYS A 35 0.515 -2.692 -9.733 1.00 0.00 C ATOM 532 O CYS A 35 1.595 -2.496 -10.289 1.00 0.00 O ATOM 533 CB CYS A 35 0.650 -2.604 -7.203 1.00 0.00 C ATOM 534 SG CYS A 35 2.242 -1.963 -6.567 1.00 0.00 S ATOM 0 H CYS A 35 -1.730 -1.847 -7.526 1.00 0.00 H new ATOM 0 HA CYS A 35 0.621 -0.936 -8.491 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.104 -2.503 -6.423 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.758 -3.670 -7.405 1.00 0.00 H new ATOM 539 N LYS A 36 -0.399 -3.556 -10.151 1.00 0.00 N ATOM 540 CA LYS A 36 -0.178 -4.364 -11.338 1.00 0.00 C ATOM 541 C LYS A 36 -0.196 -3.461 -12.573 1.00 0.00 C ATOM 542 O LYS A 36 0.855 -3.132 -13.121 1.00 0.00 O ATOM 543 CB LYS A 36 -1.188 -5.512 -11.400 1.00 0.00 C ATOM 544 CG LYS A 36 -0.624 -6.774 -10.746 1.00 0.00 C ATOM 545 CD LYS A 36 -0.260 -7.822 -11.800 1.00 0.00 C ATOM 546 CE LYS A 36 0.720 -7.249 -12.827 1.00 0.00 C ATOM 547 NZ LYS A 36 0.473 -7.837 -14.162 1.00 0.00 N ATOM 0 H LYS A 36 -1.294 -3.714 -9.688 1.00 0.00 H new ATOM 0 HA LYS A 36 0.804 -4.836 -11.301 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.109 -5.218 -10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.444 -5.720 -12.439 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.259 -6.520 -10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.357 -7.188 -10.054 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.183 -8.692 -11.315 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.163 -8.164 -12.305 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.614 -6.165 -12.875 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.744 -7.455 -12.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.146 -7.438 -14.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.597 -8.869 -14.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.498 -7.619 -14.463 1.00 0.00 H new ATOM 561 N LYS A 37 -1.402 -3.088 -12.977 1.00 0.00 N ATOM 562 CA LYS A 37 -1.570 -2.230 -14.138 1.00 0.00 C ATOM 563 C LYS A 37 -0.815 -0.919 -13.912 1.00 0.00 C ATOM 564 O LYS A 37 -0.560 -0.175 -14.856 1.00 0.00 O ATOM 565 CB LYS A 37 -3.055 -2.039 -14.452 1.00 0.00 C ATOM 566 CG LYS A 37 -3.776 -1.349 -13.292 1.00 0.00 C ATOM 567 CD LYS A 37 -5.287 -1.571 -13.377 1.00 0.00 C ATOM 568 CE LYS A 37 -5.930 -0.598 -14.366 1.00 0.00 C ATOM 569 NZ LYS A 37 -6.467 -1.328 -15.537 1.00 0.00 N ATOM 0 H LYS A 37 -2.272 -3.364 -12.521 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.138 -2.697 -15.023 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.165 -1.444 -15.359 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.517 -3.007 -14.648 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.401 -1.735 -12.344 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.560 -0.281 -13.309 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.491 -2.596 -13.686 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.733 -1.441 -12.391 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.732 -0.047 -13.874 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.194 0.136 -14.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.900 -0.652 -16.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.694 -1.834 -16.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.184 -2.011 -15.221 1.00 0.00 H new ATOM 583 N LEU A 38 -0.479 -0.676 -12.653 1.00 0.00 N ATOM 584 CA LEU A 38 0.242 0.532 -12.290 1.00 0.00 C ATOM 585 C LEU A 38 1.719 0.368 -12.652 1.00 0.00 C ATOM 586 O LEU A 38 2.189 0.941 -13.634 1.00 0.00 O ATOM 587 CB LEU A 38 0.003 0.877 -10.820 1.00 0.00 C ATOM 588 CG LEU A 38 0.819 2.046 -10.263 1.00 0.00 C ATOM 589 CD1 LEU A 38 0.760 3.252 -11.203 1.00 0.00 C ATOM 590 CD2 LEU A 38 0.370 2.403 -8.845 1.00 0.00 C ATOM 0 H LEU A 38 -0.693 -1.296 -11.872 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.132 1.384 -12.858 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.055 1.103 -10.688 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.217 -0.008 -10.220 1.00 0.00 H new ATOM 0 HG LEU A 38 1.862 1.735 -10.201 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.348 4.069 -10.784 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.165 2.975 -12.176 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.275 3.572 -11.319 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.966 3.236 -8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.682 2.687 -8.857 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.506 1.541 -8.192 1.00 0.00 H new ATOM 602 N PHE A 39 2.411 -0.417 -11.839 1.00 0.00 N ATOM 603 CA PHE A 39 3.825 -0.664 -12.060 1.00 0.00 C ATOM 604 C PHE A 39 4.037 -1.930 -12.894 1.00 0.00 C ATOM 605 O PHE A 39 5.039 -2.624 -12.730 1.00 0.00 O ATOM 606 CB PHE A 39 4.465 -0.860 -10.686 1.00 0.00 C ATOM 607 CG PHE A 39 3.975 0.128 -9.624 1.00 0.00 C ATOM 608 CD1 PHE A 39 4.590 1.331 -9.478 1.00 0.00 C ATOM 609 CD2 PHE A 39 2.923 -0.200 -8.826 1.00 0.00 C ATOM 610 CE1 PHE A 39 4.135 2.247 -8.493 1.00 0.00 C ATOM 611 CE2 PHE A 39 2.467 0.716 -7.842 1.00 0.00 C ATOM 612 CZ PHE A 39 3.083 1.919 -7.695 1.00 0.00 C ATOM 0 H PHE A 39 2.018 -0.890 -11.026 1.00 0.00 H new ATOM 0 HA PHE A 39 4.269 0.173 -12.600 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.263 -1.875 -10.344 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.547 -0.766 -10.784 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.425 1.591 -10.112 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.435 -1.157 -8.941 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.624 3.203 -8.377 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.630 0.457 -7.210 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.737 2.614 -6.945 1.00 0.00 H new ATOM 622 N HIS A 40 3.076 -2.192 -13.768 1.00 0.00 N ATOM 623 CA HIS A 40 3.146 -3.362 -14.626 1.00 0.00 C ATOM 624 C HIS A 40 4.519 -3.428 -15.295 1.00 0.00 C ATOM 625 O HIS A 40 5.248 -4.406 -15.131 1.00 0.00 O ATOM 626 CB HIS A 40 1.994 -3.364 -15.635 1.00 0.00 C ATOM 627 CG HIS A 40 2.441 -3.319 -17.076 1.00 0.00 C ATOM 628 ND1 HIS A 40 1.900 -2.444 -18.002 1.00 0.00 N ATOM 629 CD2 HIS A 40 3.381 -4.050 -17.742 1.00 0.00 C ATOM 630 CE1 HIS A 40 2.495 -2.647 -19.168 1.00 0.00 C ATOM 631 NE2 HIS A 40 3.413 -3.644 -19.005 1.00 0.00 N ATOM 0 H HIS A 40 2.246 -1.615 -13.900 1.00 0.00 H new ATOM 0 HA HIS A 40 3.030 -4.265 -14.026 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.390 -4.258 -15.480 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.350 -2.507 -15.438 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.995 -4.828 -17.314 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.290 -2.117 -20.086 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.023 -4.015 -19.733 1.00 0.00 H new ATOM 640 N THR A 41 4.832 -2.375 -16.036 1.00 0.00 N ATOM 641 CA THR A 41 6.107 -2.301 -16.731 1.00 0.00 C ATOM 642 C THR A 41 7.176 -1.694 -15.820 1.00 0.00 C ATOM 643 O THR A 41 7.604 -0.561 -16.028 1.00 0.00 O ATOM 644 CB THR A 41 5.894 -1.513 -18.025 1.00 0.00 C ATOM 645 OG1 THR A 41 7.182 -1.495 -18.636 1.00 0.00 O ATOM 646 CG2 THR A 41 5.582 -0.038 -17.769 1.00 0.00 C ATOM 0 H THR A 41 4.225 -1.566 -16.170 1.00 0.00 H new ATOM 0 HA THR A 41 6.473 -3.294 -16.993 1.00 0.00 H new ATOM 0 HB THR A 41 5.079 -1.962 -18.593 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.135 -1.005 -19.483 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.440 0.474 -18.721 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.673 0.044 -17.174 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.411 0.421 -17.230 1.00 0.00 H new ATOM 654 N ILE A 42 7.577 -2.477 -14.829 1.00 0.00 N ATOM 655 CA ILE A 42 8.588 -2.031 -13.885 1.00 0.00 C ATOM 656 C ILE A 42 9.386 -3.241 -13.392 1.00 0.00 C ATOM 657 O ILE A 42 8.824 -4.312 -13.173 1.00 0.00 O ATOM 658 CB ILE A 42 7.949 -1.216 -12.760 1.00 0.00 C ATOM 659 CG1 ILE A 42 7.714 0.231 -13.198 1.00 0.00 C ATOM 660 CG2 ILE A 42 8.783 -1.299 -11.480 1.00 0.00 C ATOM 661 CD1 ILE A 42 7.276 1.098 -12.015 1.00 0.00 C ATOM 0 H ILE A 42 7.220 -3.417 -14.659 1.00 0.00 H new ATOM 0 HA ILE A 42 9.294 -1.358 -14.372 1.00 0.00 H new ATOM 0 HB ILE A 42 6.974 -1.648 -12.537 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.628 0.636 -13.632 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.952 0.260 -13.977 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.306 -0.711 -10.696 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.856 -2.338 -11.160 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.782 -0.907 -11.671 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.116 2.122 -12.354 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.349 0.704 -11.599 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.051 1.087 -11.249 1.00 0.00 H new ATOM 673 N PRO A 43 10.718 -3.021 -13.227 1.00 0.00 N ATOM 674 CA PRO A 43 11.599 -4.079 -12.763 1.00 0.00 C ATOM 675 C PRO A 43 11.418 -4.326 -11.263 1.00 0.00 C ATOM 676 O PRO A 43 11.755 -3.471 -10.445 1.00 0.00 O ATOM 677 CB PRO A 43 12.999 -3.612 -13.123 1.00 0.00 C ATOM 678 CG PRO A 43 12.893 -2.113 -13.352 1.00 0.00 C ATOM 679 CD PRO A 43 11.418 -1.764 -13.475 1.00 0.00 C ATOM 0 HA PRO A 43 11.382 -5.040 -13.229 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.703 -3.836 -12.322 1.00 0.00 H new ATOM 0 HB3 PRO A 43 13.362 -4.119 -14.017 1.00 0.00 H new ATOM 0 HG2 PRO A 43 13.347 -1.567 -12.525 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.430 -1.826 -14.256 1.00 0.00 H new ATOM 0 HD2 PRO A 43 11.130 -1.001 -12.752 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.185 -1.370 -14.464 1.00 0.00 H new ATOM 687 N PHE A 44 10.886 -5.497 -10.948 1.00 0.00 N ATOM 688 CA PHE A 44 10.656 -5.867 -9.562 1.00 0.00 C ATOM 689 C PHE A 44 9.452 -5.119 -8.988 1.00 0.00 C ATOM 690 O PHE A 44 9.106 -5.294 -7.820 1.00 0.00 O ATOM 691 CB PHE A 44 11.910 -5.468 -8.780 1.00 0.00 C ATOM 692 CG PHE A 44 13.211 -5.622 -9.568 1.00 0.00 C ATOM 693 CD1 PHE A 44 13.484 -6.791 -10.207 1.00 0.00 C ATOM 694 CD2 PHE A 44 14.095 -4.591 -9.630 1.00 0.00 C ATOM 695 CE1 PHE A 44 14.692 -6.935 -10.940 1.00 0.00 C ATOM 696 CE2 PHE A 44 15.303 -4.734 -10.363 1.00 0.00 C ATOM 697 CZ PHE A 44 15.577 -5.903 -11.002 1.00 0.00 C ATOM 0 H PHE A 44 10.607 -6.203 -11.629 1.00 0.00 H new ATOM 0 HA PHE A 44 10.454 -6.936 -9.490 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.812 -4.430 -8.461 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.971 -6.075 -7.877 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.782 -7.610 -10.157 1.00 0.00 H new ATOM 0 HD2 PHE A 44 13.879 -3.663 -9.122 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.908 -7.863 -11.448 1.00 0.00 H new ATOM 0 HE2 PHE A 44 16.004 -3.914 -10.413 1.00 0.00 H new ATOM 0 HZ PHE A 44 16.496 -6.012 -11.558 1.00 0.00 H new ATOM 707 N GLY A 45 8.844 -4.301 -9.835 1.00 0.00 N ATOM 708 CA GLY A 45 7.685 -3.526 -9.426 1.00 0.00 C ATOM 709 C GLY A 45 6.569 -4.437 -8.913 1.00 0.00 C ATOM 710 O GLY A 45 6.190 -4.363 -7.745 1.00 0.00 O ATOM 0 H GLY A 45 9.132 -4.158 -10.803 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.972 -2.821 -8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.321 -2.938 -10.268 1.00 0.00 H new ATOM 714 N THR A 46 6.074 -5.277 -9.811 1.00 0.00 N ATOM 715 CA THR A 46 5.009 -6.202 -9.463 1.00 0.00 C ATOM 716 C THR A 46 5.468 -7.153 -8.357 1.00 0.00 C ATOM 717 O THR A 46 4.652 -7.659 -7.589 1.00 0.00 O ATOM 718 CB THR A 46 4.572 -6.921 -10.741 1.00 0.00 C ATOM 719 OG1 THR A 46 5.731 -7.645 -11.146 1.00 0.00 O ATOM 720 CG2 THR A 46 4.313 -5.955 -11.898 1.00 0.00 C ATOM 0 H THR A 46 6.391 -5.336 -10.779 1.00 0.00 H new ATOM 0 HA THR A 46 4.145 -5.676 -9.057 1.00 0.00 H new ATOM 0 HB THR A 46 3.669 -7.498 -10.541 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.536 -8.142 -11.968 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.006 -6.517 -12.780 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.523 -5.257 -11.620 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.225 -5.401 -12.121 1.00 0.00 H new ATOM 728 N ARG A 47 6.775 -7.369 -8.311 1.00 0.00 N ATOM 729 CA ARG A 47 7.354 -8.250 -7.312 1.00 0.00 C ATOM 730 C ARG A 47 7.206 -7.640 -5.916 1.00 0.00 C ATOM 731 O ARG A 47 6.841 -8.333 -4.968 1.00 0.00 O ATOM 732 CB ARG A 47 8.836 -8.507 -7.594 1.00 0.00 C ATOM 733 CG ARG A 47 9.514 -9.178 -6.398 1.00 0.00 C ATOM 734 CD ARG A 47 8.806 -10.482 -6.028 1.00 0.00 C ATOM 735 NE ARG A 47 9.705 -11.332 -5.214 1.00 0.00 N ATOM 736 CZ ARG A 47 10.731 -12.033 -5.715 1.00 0.00 C ATOM 737 NH1 ARG A 47 10.995 -11.991 -7.028 1.00 0.00 N ATOM 738 NH2 ARG A 47 11.493 -12.777 -4.902 1.00 0.00 N ATOM 0 H ARG A 47 7.449 -6.948 -8.950 1.00 0.00 H new ATOM 0 HA ARG A 47 6.818 -9.198 -7.357 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.938 -9.139 -8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.336 -7.565 -7.818 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.558 -9.381 -6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.506 -8.501 -5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.894 -10.265 -5.472 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.509 -11.014 -6.932 1.00 0.00 H new ATOM 0 HE ARG A 47 9.532 -11.387 -4.210 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.415 -11.425 -7.647 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.776 -12.525 -7.408 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.292 -12.809 -3.903 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.274 -13.311 -5.283 1.00 0.00 H new ATOM 752 N GLU A 48 7.497 -6.350 -5.835 1.00 0.00 N ATOM 753 CA GLU A 48 7.400 -5.639 -4.571 1.00 0.00 C ATOM 754 C GLU A 48 5.934 -5.415 -4.199 1.00 0.00 C ATOM 755 O GLU A 48 5.579 -5.437 -3.021 1.00 0.00 O ATOM 756 CB GLU A 48 8.160 -4.312 -4.630 1.00 0.00 C ATOM 757 CG GLU A 48 8.956 -4.078 -3.344 1.00 0.00 C ATOM 758 CD GLU A 48 8.022 -3.781 -2.169 1.00 0.00 C ATOM 759 OE1 GLU A 48 7.655 -2.595 -2.022 1.00 0.00 O ATOM 760 OE2 GLU A 48 7.697 -4.746 -1.445 1.00 0.00 O ATOM 0 H GLU A 48 7.800 -5.779 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 48 7.861 -6.251 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.836 -4.314 -5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.457 -3.493 -4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.560 -4.958 -3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.645 -3.246 -3.485 1.00 0.00 H new ATOM 768 N CYS A 49 5.121 -5.206 -5.223 1.00 0.00 N ATOM 769 CA CYS A 49 3.700 -4.978 -5.018 1.00 0.00 C ATOM 770 C CYS A 49 3.160 -6.097 -4.125 1.00 0.00 C ATOM 771 O CYS A 49 2.422 -5.836 -3.175 1.00 0.00 O ATOM 772 CB CYS A 49 2.944 -4.890 -6.345 1.00 0.00 C ATOM 773 SG CYS A 49 3.465 -3.518 -7.436 1.00 0.00 S ATOM 0 H CYS A 49 5.419 -5.190 -6.198 1.00 0.00 H new ATOM 0 HA CYS A 49 3.549 -4.017 -4.526 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.070 -5.830 -6.882 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.880 -4.784 -6.134 1.00 0.00 H new ATOM 778 N ASP A 50 3.546 -7.319 -4.462 1.00 0.00 N ATOM 779 CA ASP A 50 3.109 -8.478 -3.702 1.00 0.00 C ATOM 780 C ASP A 50 3.903 -8.556 -2.397 1.00 0.00 C ATOM 781 O ASP A 50 3.435 -9.130 -1.414 1.00 0.00 O ATOM 782 CB ASP A 50 3.352 -9.771 -4.482 1.00 0.00 C ATOM 783 CG ASP A 50 2.755 -11.030 -3.850 1.00 0.00 C ATOM 784 OD1 ASP A 50 2.088 -10.878 -2.804 1.00 0.00 O ATOM 785 OD2 ASP A 50 2.980 -12.115 -4.426 1.00 0.00 O ATOM 0 H ASP A 50 4.156 -7.532 -5.251 1.00 0.00 H new ATOM 0 HA ASP A 50 2.042 -8.370 -3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.940 -9.656 -5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.427 -9.914 -4.594 1.00 0.00 H new ATOM 791 N HIS A 51 5.091 -7.970 -2.429 1.00 0.00 N ATOM 792 CA HIS A 51 5.954 -7.966 -1.260 1.00 0.00 C ATOM 793 C HIS A 51 5.656 -6.733 -0.405 1.00 0.00 C ATOM 794 O HIS A 51 6.430 -6.388 0.486 1.00 0.00 O ATOM 795 CB HIS A 51 7.426 -8.061 -1.671 1.00 0.00 C ATOM 796 CG HIS A 51 8.300 -8.769 -0.664 1.00 0.00 C ATOM 797 ND1 HIS A 51 9.441 -8.197 -0.128 1.00 0.00 N ATOM 798 CD2 HIS A 51 8.189 -10.007 -0.102 1.00 0.00 C ATOM 799 CE1 HIS A 51 9.984 -9.061 0.717 1.00 0.00 C ATOM 800 NE2 HIS A 51 9.207 -10.182 0.731 1.00 0.00 N ATOM 0 H HIS A 51 5.476 -7.495 -3.245 1.00 0.00 H new ATOM 0 HA HIS A 51 5.749 -8.846 -0.650 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.493 -8.583 -2.626 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.814 -7.055 -1.830 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.406 -10.723 -0.301 1.00 0.00 H new ATOM 0 HE1 HIS A 51 10.884 -8.905 1.294 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.380 -11.017 1.290 1.00 0.00 H new ATOM 809 N TYR A 52 4.530 -6.102 -0.707 1.00 0.00 N ATOM 810 CA TYR A 52 4.120 -4.914 0.024 1.00 0.00 C ATOM 811 C TYR A 52 2.797 -5.150 0.754 1.00 0.00 C ATOM 812 O TYR A 52 2.642 -4.751 1.908 1.00 0.00 O ATOM 813 CB TYR A 52 3.920 -3.821 -1.029 1.00 0.00 C ATOM 814 CG TYR A 52 3.869 -2.405 -0.453 1.00 0.00 C ATOM 815 CD1 TYR A 52 4.961 -1.892 0.217 1.00 0.00 C ATOM 816 CD2 TYR A 52 2.730 -1.640 -0.603 1.00 0.00 C ATOM 817 CE1 TYR A 52 4.913 -0.560 0.760 1.00 0.00 C ATOM 818 CE2 TYR A 52 2.682 -0.306 -0.060 1.00 0.00 C ATOM 819 CZ TYR A 52 3.776 0.168 0.594 1.00 0.00 C ATOM 820 OH TYR A 52 3.731 1.427 1.106 1.00 0.00 O ATOM 0 H TYR A 52 3.890 -6.390 -1.447 1.00 0.00 H new ATOM 0 HA TYR A 52 4.867 -4.645 0.771 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.731 -3.878 -1.755 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.994 -4.016 -1.569 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.852 -2.491 0.334 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.875 -2.041 -1.127 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.761 -0.148 1.287 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.797 0.303 -0.170 1.00 0.00 H new ATOM 0 HH TYR A 52 4.350 2.004 0.611 1.00 0.00 H new ATOM 830 N VAL A 53 1.878 -5.798 0.054 1.00 0.00 N ATOM 831 CA VAL A 53 0.573 -6.092 0.622 1.00 0.00 C ATOM 832 C VAL A 53 0.688 -7.302 1.553 1.00 0.00 C ATOM 833 O VAL A 53 -0.047 -8.276 1.404 1.00 0.00 O ATOM 834 CB VAL A 53 -0.451 -6.293 -0.496 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.288 -5.232 -1.586 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.352 -7.703 -1.083 1.00 0.00 C ATOM 0 H VAL A 53 2.011 -6.128 -0.902 1.00 0.00 H new ATOM 0 HA VAL A 53 0.219 -5.253 1.221 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.445 -6.179 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.028 -5.398 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.432 -4.242 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.713 -5.300 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.091 -7.820 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.647 -7.858 -1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.541 -8.437 -0.300 1.00 0.00 H new ATOM 846 N ASN A 54 1.616 -7.199 2.493 1.00 0.00 N ATOM 847 CA ASN A 54 1.836 -8.272 3.447 1.00 0.00 C ATOM 848 C ASN A 54 3.035 -7.924 4.332 1.00 0.00 C ATOM 849 O ASN A 54 3.854 -8.787 4.642 1.00 0.00 O ATOM 850 CB ASN A 54 2.143 -9.590 2.733 1.00 0.00 C ATOM 851 CG ASN A 54 1.840 -10.787 3.637 1.00 0.00 C ATOM 852 OD1 ASN A 54 0.948 -10.760 4.468 1.00 0.00 O ATOM 853 ND2 ASN A 54 2.631 -11.835 3.429 1.00 0.00 N ATOM 0 H ASN A 54 2.224 -6.389 2.614 1.00 0.00 H new ATOM 0 HA ASN A 54 0.929 -8.386 4.041 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.551 -9.660 1.820 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.191 -9.611 2.435 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.510 -12.683 3.982 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.359 -11.791 2.716 1.00 0.00 H new ATOM 860 N SER A 55 3.100 -6.657 4.714 1.00 0.00 N ATOM 861 CA SER A 55 4.185 -6.184 5.557 1.00 0.00 C ATOM 862 C SER A 55 4.045 -4.679 5.794 1.00 0.00 C ATOM 863 O SER A 55 4.292 -4.195 6.898 1.00 0.00 O ATOM 864 CB SER A 55 5.545 -6.499 4.932 1.00 0.00 C ATOM 865 OG SER A 55 6.598 -5.759 5.546 1.00 0.00 O ATOM 0 H SER A 55 2.419 -5.943 4.455 1.00 0.00 H new ATOM 0 HA SER A 55 4.126 -6.703 6.514 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.749 -7.566 5.025 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.516 -6.272 3.866 1.00 0.00 H new ATOM 0 HG SER A 55 7.450 -5.989 5.121 1.00 0.00 H new ATOM 871 N LYS A 56 3.649 -3.980 4.740 1.00 0.00 N ATOM 872 CA LYS A 56 3.473 -2.540 4.820 1.00 0.00 C ATOM 873 C LYS A 56 1.986 -2.204 4.692 1.00 0.00 C ATOM 874 O LYS A 56 1.602 -1.037 4.755 1.00 0.00 O ATOM 875 CB LYS A 56 4.353 -1.834 3.787 1.00 0.00 C ATOM 876 CG LYS A 56 5.826 -2.208 3.975 1.00 0.00 C ATOM 877 CD LYS A 56 6.394 -2.852 2.708 1.00 0.00 C ATOM 878 CE LYS A 56 7.453 -3.899 3.054 1.00 0.00 C ATOM 879 NZ LYS A 56 8.666 -3.702 2.229 1.00 0.00 N ATOM 0 H LYS A 56 3.445 -4.384 3.826 1.00 0.00 H new ATOM 0 HA LYS A 56 3.802 -2.170 5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.030 -2.106 2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.233 -0.754 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.402 -1.317 4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.926 -2.897 4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.589 -3.318 2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.831 -2.084 2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.710 -3.829 4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.052 -4.899 2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.375 -4.421 2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.420 -3.791 1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.057 -2.755 2.407 1.00 0.00 H new ATOM 893 N VAL A 57 1.189 -3.248 4.515 1.00 0.00 N ATOM 894 CA VAL A 57 -0.248 -3.079 4.379 1.00 0.00 C ATOM 895 C VAL A 57 -0.921 -3.372 5.720 1.00 0.00 C ATOM 896 O VAL A 57 -2.028 -2.901 5.979 1.00 0.00 O ATOM 897 CB VAL A 57 -0.772 -3.957 3.241 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.197 -4.435 3.529 1.00 0.00 C ATOM 899 CG2 VAL A 57 -0.701 -3.219 1.901 1.00 0.00 C ATOM 0 H VAL A 57 1.511 -4.214 4.463 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.489 -2.049 4.114 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.131 -4.836 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.546 -5.057 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.206 -5.016 4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.855 -3.573 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.079 -3.865 1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.307 -2.314 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.334 -2.951 1.687 1.00 0.00 H new ATOM 909 N ASP A 58 -0.227 -4.150 6.537 1.00 0.00 N ATOM 910 CA ASP A 58 -0.745 -4.513 7.846 1.00 0.00 C ATOM 911 C ASP A 58 -0.572 -3.331 8.803 1.00 0.00 C ATOM 912 O ASP A 58 -1.486 -2.999 9.556 1.00 0.00 O ATOM 913 CB ASP A 58 0.014 -5.707 8.427 1.00 0.00 C ATOM 914 CG ASP A 58 -0.840 -6.949 8.691 1.00 0.00 C ATOM 915 OD1 ASP A 58 -1.861 -7.097 7.984 1.00 0.00 O ATOM 916 OD2 ASP A 58 -0.452 -7.723 9.592 1.00 0.00 O ATOM 0 H ASP A 58 0.690 -4.540 6.318 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.797 -4.776 7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.818 -5.976 7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.482 -5.401 9.363 1.00 0.00 H new ATOM 922 N PRO A 59 0.638 -2.714 8.741 1.00 0.00 N ATOM 923 CA PRO A 59 0.943 -1.577 9.593 1.00 0.00 C ATOM 924 C PRO A 59 0.235 -0.315 9.097 1.00 0.00 C ATOM 925 O PRO A 59 -0.439 0.367 9.868 1.00 0.00 O ATOM 926 CB PRO A 59 2.458 -1.459 9.565 1.00 0.00 C ATOM 927 CG PRO A 59 2.913 -2.234 8.339 1.00 0.00 C ATOM 928 CD PRO A 59 1.745 -3.081 7.862 1.00 0.00 C ATOM 0 HA PRO A 59 0.587 -1.709 10.615 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.768 -0.416 9.505 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.899 -1.870 10.473 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.235 -1.550 7.553 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.768 -2.865 8.582 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.507 -2.875 6.818 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.972 -4.145 7.934 1.00 0.00 H new ATOM 936 N ILE A 60 0.412 -0.042 7.813 1.00 0.00 N ATOM 937 CA ILE A 60 -0.201 1.126 7.205 1.00 0.00 C ATOM 938 C ILE A 60 -1.680 1.182 7.594 1.00 0.00 C ATOM 939 O ILE A 60 -2.179 2.231 8.003 1.00 0.00 O ATOM 940 CB ILE A 60 0.037 1.131 5.693 1.00 0.00 C ATOM 941 CG1 ILE A 60 1.472 1.546 5.366 1.00 0.00 C ATOM 942 CG2 ILE A 60 -0.991 2.011 4.979 1.00 0.00 C ATOM 943 CD1 ILE A 60 1.678 1.662 3.854 1.00 0.00 C ATOM 0 H ILE A 60 0.971 -0.610 7.177 1.00 0.00 H new ATOM 0 HA ILE A 60 0.263 2.038 7.581 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.097 0.115 5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.696 2.501 5.841 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.168 0.815 5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.799 1.997 3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.994 1.630 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.913 3.034 5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.707 1.958 3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.477 0.699 3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.997 2.411 3.450 1.00 0.00 H new ATOM 955 N ILE A 61 -2.339 0.042 7.454 1.00 0.00 N ATOM 956 CA ILE A 61 -3.751 -0.052 7.787 1.00 0.00 C ATOM 957 C ILE A 61 -3.926 0.103 9.299 1.00 0.00 C ATOM 958 O ILE A 61 -4.996 0.489 9.768 1.00 0.00 O ATOM 959 CB ILE A 61 -4.347 -1.345 7.229 1.00 0.00 C ATOM 960 CG1 ILE A 61 -4.174 -1.419 5.711 1.00 0.00 C ATOM 961 CG2 ILE A 61 -5.811 -1.499 7.647 1.00 0.00 C ATOM 962 CD1 ILE A 61 -4.635 -2.774 5.171 1.00 0.00 C ATOM 0 H ILE A 61 -1.922 -0.825 7.115 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.308 0.758 7.317 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.800 -2.185 7.656 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.746 -0.621 5.237 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.127 -1.258 5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.211 -2.426 7.237 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.878 -1.524 8.735 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.388 -0.656 7.267 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.501 -2.799 4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.045 -3.568 5.629 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.688 -2.922 5.410 1.00 0.00 H new ATOM 974 N HIS A 62 -2.858 -0.204 10.021 1.00 0.00 N ATOM 975 CA HIS A 62 -2.879 -0.104 11.470 1.00 0.00 C ATOM 976 C HIS A 62 -2.891 1.370 11.882 1.00 0.00 C ATOM 977 O HIS A 62 -3.222 1.697 13.020 1.00 0.00 O ATOM 978 CB HIS A 62 -1.715 -0.883 12.086 1.00 0.00 C ATOM 979 CG HIS A 62 -0.487 -0.045 12.351 1.00 0.00 C ATOM 980 ND1 HIS A 62 0.784 -0.586 12.440 1.00 0.00 N ATOM 981 CD2 HIS A 62 -0.350 1.298 12.543 1.00 0.00 C ATOM 982 CE1 HIS A 62 1.640 0.397 12.677 1.00 0.00 C ATOM 983 NE2 HIS A 62 0.936 1.564 12.741 1.00 0.00 N ATOM 0 H HIS A 62 -1.972 -0.522 9.629 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.790 -0.561 11.857 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.046 -1.330 13.023 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.446 -1.702 11.419 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.151 2.022 12.535 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.708 0.293 12.798 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.332 2.488 12.913 1.00 0.00 H new ATOM 992 N GLU A 63 -2.525 2.219 10.934 1.00 0.00 N ATOM 993 CA GLU A 63 -2.489 3.650 11.183 1.00 0.00 C ATOM 994 C GLU A 63 -3.873 4.262 10.962 1.00 0.00 C ATOM 995 O GLU A 63 -4.383 4.980 11.820 1.00 0.00 O ATOM 996 CB GLU A 63 -1.439 4.334 10.305 1.00 0.00 C ATOM 997 CG GLU A 63 -0.275 4.856 11.148 1.00 0.00 C ATOM 998 CD GLU A 63 0.901 3.876 11.126 1.00 0.00 C ATOM 999 OE1 GLU A 63 1.013 3.147 10.117 1.00 0.00 O ATOM 1000 OE2 GLU A 63 1.661 3.881 12.118 1.00 0.00 O ATOM 0 H GLU A 63 -2.250 1.943 9.991 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.204 3.811 12.223 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.067 3.629 9.561 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.897 5.160 9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.048 5.825 10.768 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.606 5.010 12.175 1.00 0.00 H new ATOM 1008 N LEU A 64 -4.442 3.956 9.804 1.00 0.00 N ATOM 1009 CA LEU A 64 -5.758 4.468 9.459 1.00 0.00 C ATOM 1010 C LEU A 64 -6.796 3.883 10.418 1.00 0.00 C ATOM 1011 O LEU A 64 -7.711 4.583 10.849 1.00 0.00 O ATOM 1012 CB LEU A 64 -6.064 4.203 7.984 1.00 0.00 C ATOM 1013 CG LEU A 64 -4.979 4.616 6.988 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -4.908 3.635 5.815 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -5.187 6.056 6.517 1.00 0.00 C ATOM 0 H LEU A 64 -4.016 3.361 9.094 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.790 5.551 9.578 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.257 3.137 7.859 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.985 4.726 7.725 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.016 4.579 7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.129 3.952 5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.677 2.637 6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.867 3.616 5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.402 6.324 5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.159 6.143 6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.149 6.728 7.374 1.00 0.00 H new ATOM 1027 N GLU A 65 -6.619 2.606 10.724 1.00 0.00 N ATOM 1028 CA GLU A 65 -7.529 1.920 11.624 1.00 0.00 C ATOM 1029 C GLU A 65 -7.459 2.537 13.022 1.00 0.00 C ATOM 1030 O GLU A 65 -8.475 2.652 13.705 1.00 0.00 O ATOM 1031 CB GLU A 65 -7.227 0.420 11.671 1.00 0.00 C ATOM 1032 CG GLU A 65 -6.124 0.114 12.686 1.00 0.00 C ATOM 1033 CD GLU A 65 -6.682 0.090 14.111 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -7.837 -0.363 14.260 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -5.940 0.525 15.018 1.00 0.00 O ATOM 0 H GLU A 65 -5.859 2.029 10.364 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.544 2.041 11.245 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.131 -0.128 11.935 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.922 0.076 10.683 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.668 -0.848 12.454 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.338 0.865 12.612 1.00 0.00 H new ATOM 1043 N GLY A 66 -6.249 2.917 13.407 1.00 0.00 N ATOM 1044 CA GLY A 66 -6.034 3.520 14.711 1.00 0.00 C ATOM 1045 C GLY A 66 -6.648 4.919 14.777 1.00 0.00 C ATOM 1046 O GLY A 66 -7.462 5.202 15.655 1.00 0.00 O ATOM 0 H GLY A 66 -5.408 2.819 12.838 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.474 2.889 15.484 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.965 3.578 14.917 1.00 0.00 H new ATOM 1050 N GLY A 67 -6.236 5.757 13.837 1.00 0.00 N ATOM 1051 CA GLY A 67 -6.736 7.119 13.778 1.00 0.00 C ATOM 1052 C GLY A 67 -5.728 8.045 13.095 1.00 0.00 C ATOM 1053 O GLY A 67 -5.490 9.160 13.558 1.00 0.00 O ATOM 0 H GLY A 67 -5.561 5.518 13.110 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.681 7.140 13.234 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.940 7.479 14.786 1.00 0.00 H new ATOM 1057 N THR A 68 -5.160 7.549 12.005 1.00 0.00 N ATOM 1058 CA THR A 68 -4.183 8.317 11.254 1.00 0.00 C ATOM 1059 C THR A 68 -4.629 8.472 9.799 1.00 0.00 C ATOM 1060 O THR A 68 -5.161 7.534 9.206 1.00 0.00 O ATOM 1061 CB THR A 68 -2.825 7.628 11.403 1.00 0.00 C ATOM 1062 OG1 THR A 68 -2.325 8.111 12.647 1.00 0.00 O ATOM 1063 CG2 THR A 68 -1.803 8.119 10.375 1.00 0.00 C ATOM 0 H THR A 68 -5.359 6.624 11.624 1.00 0.00 H new ATOM 0 HA THR A 68 -4.094 9.331 11.643 1.00 0.00 H new ATOM 0 HB THR A 68 -2.952 6.550 11.302 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.447 7.713 12.823 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.857 7.598 10.525 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.173 7.918 9.370 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.650 9.191 10.497 1.00 0.00 H new ATOM 1071 N ALA A 69 -4.397 9.662 9.265 1.00 0.00 N ATOM 1072 CA ALA A 69 -4.769 9.951 7.891 1.00 0.00 C ATOM 1073 C ALA A 69 -3.892 9.127 6.946 1.00 0.00 C ATOM 1074 O ALA A 69 -2.852 8.610 7.350 1.00 0.00 O ATOM 1075 CB ALA A 69 -4.649 11.454 7.635 1.00 0.00 C ATOM 0 H ALA A 69 -3.956 10.437 9.759 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.806 9.671 7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.928 11.671 6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.313 11.992 8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.620 11.771 7.807 1.00 0.00 H new ATOM 1081 N PRO A 70 -4.356 9.028 5.671 1.00 0.00 N ATOM 1082 CA PRO A 70 -3.626 8.276 4.665 1.00 0.00 C ATOM 1083 C PRO A 70 -2.392 9.047 4.193 1.00 0.00 C ATOM 1084 O PRO A 70 -1.534 8.493 3.506 1.00 0.00 O ATOM 1085 CB PRO A 70 -4.632 8.026 3.553 1.00 0.00 C ATOM 1086 CG PRO A 70 -5.745 9.038 3.764 1.00 0.00 C ATOM 1087 CD PRO A 70 -5.584 9.627 5.156 1.00 0.00 C ATOM 0 HA PRO A 70 -3.233 7.334 5.047 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.171 8.151 2.573 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.017 7.007 3.596 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.695 9.823 3.010 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.719 8.560 3.662 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.510 10.714 5.120 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.438 9.386 5.789 1.00 0.00 H new ATOM 1095 N LYS A 71 -2.341 10.313 4.579 1.00 0.00 N ATOM 1096 CA LYS A 71 -1.226 11.166 4.204 1.00 0.00 C ATOM 1097 C LYS A 71 -0.275 11.309 5.394 1.00 0.00 C ATOM 1098 O LYS A 71 0.764 11.959 5.289 1.00 0.00 O ATOM 1099 CB LYS A 71 -1.733 12.502 3.658 1.00 0.00 C ATOM 1100 CG LYS A 71 -2.144 13.439 4.796 1.00 0.00 C ATOM 1101 CD LYS A 71 -2.950 14.626 4.265 1.00 0.00 C ATOM 1102 CE LYS A 71 -4.452 14.347 4.341 1.00 0.00 C ATOM 1103 NZ LYS A 71 -5.136 15.402 5.123 1.00 0.00 N ATOM 0 H LYS A 71 -3.054 10.769 5.148 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.656 10.712 3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.954 12.973 3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.584 12.330 2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.737 12.890 5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.255 13.801 5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.713 15.519 4.843 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.666 14.830 3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.871 14.302 3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.624 13.375 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.155 15.198 5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.748 15.426 6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.987 16.324 4.667 1.00 0.00 H new ATOM 1117 N ASP A 72 -0.665 10.691 6.499 1.00 0.00 N ATOM 1118 CA ASP A 72 0.140 10.742 7.709 1.00 0.00 C ATOM 1119 C ASP A 72 0.885 9.416 7.875 1.00 0.00 C ATOM 1120 O ASP A 72 2.032 9.396 8.319 1.00 0.00 O ATOM 1121 CB ASP A 72 -0.738 10.950 8.945 1.00 0.00 C ATOM 1122 CG ASP A 72 0.020 10.995 10.274 1.00 0.00 C ATOM 1123 OD1 ASP A 72 0.788 10.042 10.523 1.00 0.00 O ATOM 1124 OD2 ASP A 72 -0.187 11.984 11.011 1.00 0.00 O ATOM 0 H ASP A 72 -1.527 10.152 6.583 1.00 0.00 H new ATOM 0 HA ASP A 72 0.837 11.575 7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.291 11.882 8.827 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.473 10.147 8.990 1.00 0.00 H new ATOM 1130 N VAL A 73 0.203 8.341 7.510 1.00 0.00 N ATOM 1131 CA VAL A 73 0.787 7.013 7.614 1.00 0.00 C ATOM 1132 C VAL A 73 2.150 7.005 6.917 1.00 0.00 C ATOM 1133 O VAL A 73 3.158 6.642 7.523 1.00 0.00 O ATOM 1134 CB VAL A 73 -0.180 5.971 7.048 1.00 0.00 C ATOM 1135 CG1 VAL A 73 0.217 4.560 7.487 1.00 0.00 C ATOM 1136 CG2 VAL A 73 -1.622 6.285 7.450 1.00 0.00 C ATOM 0 H VAL A 73 -0.748 8.361 7.142 1.00 0.00 H new ATOM 0 HA VAL A 73 0.954 6.749 8.658 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.119 6.013 5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.486 3.838 7.071 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.221 4.336 7.128 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.199 4.499 8.575 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.288 5.529 7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.705 6.284 8.537 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.902 7.266 7.065 1.00 0.00 H new ATOM 1146 N CYS A 74 2.138 7.409 5.656 1.00 0.00 N ATOM 1147 CA CYS A 74 3.359 7.453 4.872 1.00 0.00 C ATOM 1148 C CYS A 74 4.143 8.703 5.273 1.00 0.00 C ATOM 1149 O CYS A 74 4.310 9.620 4.469 1.00 0.00 O ATOM 1150 CB CYS A 74 3.069 7.419 3.369 1.00 0.00 C ATOM 1151 SG CYS A 74 1.490 6.615 2.911 1.00 0.00 S ATOM 0 H CYS A 74 1.300 7.709 5.157 1.00 0.00 H new ATOM 0 HA CYS A 74 3.959 6.567 5.080 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.063 8.441 2.991 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.885 6.898 2.867 1.00 0.00 H new ATOM 1156 N THR A 75 4.604 8.701 6.515 1.00 0.00 N ATOM 1157 CA THR A 75 5.367 9.824 7.033 1.00 0.00 C ATOM 1158 C THR A 75 6.089 9.429 8.322 1.00 0.00 C ATOM 1159 O THR A 75 7.318 9.465 8.386 1.00 0.00 O ATOM 1160 CB THR A 75 4.410 11.005 7.210 1.00 0.00 C ATOM 1161 OG1 THR A 75 4.978 12.036 6.408 1.00 0.00 O ATOM 1162 CG2 THR A 75 4.441 11.575 8.629 1.00 0.00 C ATOM 0 H THR A 75 4.464 7.939 7.178 1.00 0.00 H new ATOM 0 HA THR A 75 6.151 10.124 6.337 1.00 0.00 H new ATOM 0 HB THR A 75 3.395 10.689 6.968 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.419 12.839 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.744 12.410 8.701 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.152 10.800 9.339 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.448 11.922 8.860 1.00 0.00 H new ATOM 1170 N LYS A 76 5.297 9.060 9.317 1.00 0.00 N ATOM 1171 CA LYS A 76 5.846 8.658 10.601 1.00 0.00 C ATOM 1172 C LYS A 76 6.268 7.190 10.534 1.00 0.00 C ATOM 1173 O LYS A 76 7.039 6.722 11.370 1.00 0.00 O ATOM 1174 CB LYS A 76 4.855 8.963 11.727 1.00 0.00 C ATOM 1175 CG LYS A 76 4.670 10.471 11.901 1.00 0.00 C ATOM 1176 CD LYS A 76 3.224 10.806 12.271 1.00 0.00 C ATOM 1177 CE LYS A 76 3.171 11.834 13.403 1.00 0.00 C ATOM 1178 NZ LYS A 76 3.036 11.156 14.712 1.00 0.00 N ATOM 0 H LYS A 76 4.279 9.031 9.260 1.00 0.00 H new ATOM 0 HA LYS A 76 6.741 9.236 10.830 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.894 8.498 11.506 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.213 8.527 12.660 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.342 10.836 12.678 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.941 10.983 10.978 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.702 11.195 11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.703 9.898 12.575 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.076 12.442 13.393 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.331 12.511 13.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.001 11.868 15.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.160 10.595 14.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.851 10.528 14.864 1.00 0.00 H new ATOM 1192 N LEU A 77 5.744 6.501 9.530 1.00 0.00 N ATOM 1193 CA LEU A 77 6.056 5.095 9.343 1.00 0.00 C ATOM 1194 C LEU A 77 7.383 4.968 8.591 1.00 0.00 C ATOM 1195 O LEU A 77 7.898 3.865 8.417 1.00 0.00 O ATOM 1196 CB LEU A 77 4.891 4.374 8.661 1.00 0.00 C ATOM 1197 CG LEU A 77 3.693 4.043 9.553 1.00 0.00 C ATOM 1198 CD1 LEU A 77 4.121 3.200 10.755 1.00 0.00 C ATOM 1199 CD2 LEU A 77 2.957 5.315 9.976 1.00 0.00 C ATOM 0 H LEU A 77 5.105 6.891 8.837 1.00 0.00 H new ATOM 0 HA LEU A 77 6.186 4.602 10.306 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.543 4.991 7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.266 3.445 8.231 1.00 0.00 H new ATOM 0 HG LEU A 77 2.991 3.443 8.974 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.251 2.979 11.373 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.565 2.268 10.406 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.853 3.752 11.344 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.110 5.052 10.609 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.637 5.962 10.530 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.599 5.840 9.090 1.00 0.00 H new ATOM 1211 N ASN A 78 7.899 6.112 8.167 1.00 0.00 N ATOM 1212 CA ASN A 78 9.156 6.142 7.440 1.00 0.00 C ATOM 1213 C ASN A 78 8.958 5.506 6.062 1.00 0.00 C ATOM 1214 O ASN A 78 9.892 4.944 5.494 1.00 0.00 O ATOM 1215 CB ASN A 78 10.237 5.350 8.175 1.00 0.00 C ATOM 1216 CG ASN A 78 11.478 6.212 8.421 1.00 0.00 C ATOM 1217 OD1 ASN A 78 11.510 7.396 8.128 1.00 0.00 O ATOM 1218 ND2 ASN A 78 12.493 5.554 8.972 1.00 0.00 N ATOM 0 H ASN A 78 7.469 7.025 8.313 1.00 0.00 H new ATOM 0 HA ASN A 78 9.469 7.182 7.352 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.845 4.990 9.127 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.510 4.472 7.590 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.366 6.041 9.175 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.399 4.562 9.192 1.00 0.00 H new ATOM 1225 N GLU A 79 7.734 5.616 5.565 1.00 0.00 N ATOM 1226 CA GLU A 79 7.402 5.057 4.266 1.00 0.00 C ATOM 1227 C GLU A 79 6.872 6.152 3.337 1.00 0.00 C ATOM 1228 O GLU A 79 5.788 6.021 2.772 1.00 0.00 O ATOM 1229 CB GLU A 79 6.390 3.917 4.401 1.00 0.00 C ATOM 1230 CG GLU A 79 5.063 4.425 4.967 1.00 0.00 C ATOM 1231 CD GLU A 79 4.261 3.283 5.595 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.444 2.138 5.128 1.00 0.00 O ATOM 1233 OE2 GLU A 79 3.485 3.581 6.528 1.00 0.00 O ATOM 0 H GLU A 79 6.961 6.084 6.039 1.00 0.00 H new ATOM 0 HA GLU A 79 8.310 4.643 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.222 3.458 3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.794 3.142 5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.254 5.195 5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.479 4.890 4.173 1.00 0.00 H new