USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 560 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 37 ASN : amide:sc= -2.65! C(o=-13!,f=-20!) USER MOD Set 1.2: A 70 ASN : amide:sc= -10.8! C(o=-13!,f=-17!) USER MOD Set 2.1: A 48 ASN : amide:sc= -0.0676 X(o=1,f=1) USER MOD Set 2.2: A 52 THR OG1 : rot 119:sc= 1.07 USER MOD Set 3.1: A 2 GLN : amide:sc= -0.106 K(o=-1.5,f=-2.4) USER MOD Set 3.2: A 18 ASN : amide:sc= -1.36 K(o=-1.5,f=-5!) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 30:sc= -0.103 USER MOD Single : A 5 ASN : amide:sc= -0.905 K(o=-0.91,f=-4.9!) USER MOD Single : A 8 ASN : amide:sc= -0.144 K(o=-0.14,f=-2.9!) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.545 K(o=-0.55,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -1.96 K(o=-2,f=-0.64) USER MOD Single : A 46 ASN : amide:sc= -5.56! K(o=-5.6!,f=-1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : A 57 ASN : amide:sc= -0.74 K(o=-0.74,f=-0.16) USER MOD Single : A 60 THR OG1 : rot 160:sc= 0 USER MOD Single : A 61 TYR OH : rot -140:sc= -4.16! USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.127 K(o=-0.13,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.366 -12.071 -5.818 1.00 0.00 N ATOM 2 CA LEU A 1 5.087 -10.648 -6.161 1.00 0.00 C ATOM 3 C LEU A 1 5.332 -9.769 -4.932 1.00 0.00 C ATOM 4 O LEU A 1 4.727 -9.953 -3.895 1.00 0.00 O ATOM 5 CB LEU A 1 3.631 -10.507 -6.607 1.00 0.00 C ATOM 6 CG LEU A 1 3.425 -9.136 -7.252 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.487 -9.271 -8.775 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.058 -8.584 -6.846 1.00 0.00 C ATOM 0 H1 LEU A 1 5.200 -12.668 -6.653 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.356 -12.167 -5.515 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.737 -12.372 -5.046 1.00 0.00 H new ATOM 0 HA LEU A 1 5.747 -10.333 -6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.379 -11.296 -7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.965 -10.622 -5.752 1.00 0.00 H new ATOM 0 HG LEU A 1 4.208 -8.456 -6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.340 -8.293 -9.233 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.461 -9.665 -9.066 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.705 -9.951 -9.112 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.909 -7.607 -7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.276 -9.265 -7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.013 -8.486 -5.761 1.00 0.00 H new ATOM 22 N GLN A 2 6.215 -8.815 -5.041 1.00 0.00 N ATOM 23 CA GLN A 2 6.501 -7.924 -3.881 1.00 0.00 C ATOM 24 C GLN A 2 5.943 -6.530 -4.162 1.00 0.00 C ATOM 25 O GLN A 2 5.700 -6.161 -5.293 1.00 0.00 O ATOM 26 CB GLN A 2 8.012 -7.836 -3.665 1.00 0.00 C ATOM 27 CG GLN A 2 8.495 -9.097 -2.946 1.00 0.00 C ATOM 28 CD GLN A 2 9.852 -9.520 -3.512 1.00 0.00 C ATOM 29 OE1 GLN A 2 10.579 -8.709 -4.051 1.00 0.00 O ATOM 30 NE2 GLN A 2 10.226 -10.765 -3.409 1.00 0.00 N ATOM 0 H GLN A 2 6.752 -8.614 -5.885 1.00 0.00 H new ATOM 0 HA GLN A 2 6.031 -8.330 -2.985 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.522 -7.732 -4.623 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.256 -6.952 -3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.578 -8.909 -1.876 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.770 -9.901 -3.073 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.615 -11.445 -2.956 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.129 -11.059 -3.781 1.00 0.00 H new ATOM 39 N CYS A 3 5.738 -5.755 -3.136 1.00 0.00 N ATOM 40 CA CYS A 3 5.193 -4.382 -3.339 1.00 0.00 C ATOM 41 C CYS A 3 5.801 -3.425 -2.313 1.00 0.00 C ATOM 42 O CYS A 3 6.390 -3.841 -1.335 1.00 0.00 O ATOM 43 CB CYS A 3 3.677 -4.406 -3.172 1.00 0.00 C ATOM 44 SG CYS A 3 2.906 -4.916 -4.726 1.00 0.00 S ATOM 0 H CYS A 3 5.923 -6.011 -2.166 1.00 0.00 H new ATOM 0 HA CYS A 3 5.446 -4.042 -4.343 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.399 -5.094 -2.373 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.317 -3.419 -2.882 1.00 0.00 H new ATOM 49 N TYR A 4 5.658 -2.145 -2.525 1.00 0.00 N ATOM 50 CA TYR A 4 6.225 -1.161 -1.560 1.00 0.00 C ATOM 51 C TYR A 4 5.180 -0.840 -0.489 1.00 0.00 C ATOM 52 O TYR A 4 4.162 -0.233 -0.762 1.00 0.00 O ATOM 53 CB TYR A 4 6.608 0.122 -2.300 1.00 0.00 C ATOM 54 CG TYR A 4 7.788 -0.151 -3.202 1.00 0.00 C ATOM 55 CD1 TYR A 4 9.083 -0.171 -2.673 1.00 0.00 C ATOM 56 CD2 TYR A 4 7.586 -0.387 -4.568 1.00 0.00 C ATOM 57 CE1 TYR A 4 10.177 -0.425 -3.508 1.00 0.00 C ATOM 58 CE2 TYR A 4 8.680 -0.640 -5.404 1.00 0.00 C ATOM 59 CZ TYR A 4 9.976 -0.661 -4.873 1.00 0.00 C ATOM 60 OH TYR A 4 11.055 -0.911 -5.697 1.00 0.00 O ATOM 0 H TYR A 4 5.173 -1.738 -3.325 1.00 0.00 H new ATOM 0 HA TYR A 4 7.112 -1.585 -1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.763 0.482 -2.887 1.00 0.00 H new ATOM 0 HB3 TYR A 4 6.857 0.906 -1.585 1.00 0.00 H new ATOM 0 HD1 TYR A 4 9.239 0.010 -1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.586 -0.374 -4.976 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.177 -0.439 -3.099 1.00 0.00 H new ATOM 0 HE2 TYR A 4 8.525 -0.819 -6.458 1.00 0.00 H new ATOM 0 HH TYR A 4 11.765 -1.350 -5.183 1.00 0.00 H new ATOM 70 N ASN A 5 5.422 -1.244 0.728 1.00 0.00 N ATOM 71 CA ASN A 5 4.445 -0.966 1.816 1.00 0.00 C ATOM 72 C ASN A 5 5.148 -0.229 2.960 1.00 0.00 C ATOM 73 O ASN A 5 6.279 -0.520 3.295 1.00 0.00 O ATOM 74 CB ASN A 5 3.872 -2.285 2.337 1.00 0.00 C ATOM 75 CG ASN A 5 2.352 -2.168 2.464 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.702 -1.606 1.607 1.00 0.00 O ATOM 77 ND2 ASN A 5 1.755 -2.681 3.506 1.00 0.00 N ATOM 0 H ASN A 5 6.256 -1.756 1.015 1.00 0.00 H new ATOM 0 HA ASN A 5 3.637 -0.346 1.427 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.129 -3.098 1.658 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.311 -2.527 3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.742 -2.609 3.600 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.302 -3.153 4.226 1.00 0.00 H new ATOM 84 N CYS A 6 4.486 0.721 3.561 1.00 0.00 N ATOM 85 CA CYS A 6 5.116 1.476 4.684 1.00 0.00 C ATOM 86 C CYS A 6 4.030 1.894 5.680 1.00 0.00 C ATOM 87 O CYS A 6 2.855 1.793 5.391 1.00 0.00 O ATOM 88 CB CYS A 6 5.844 2.732 4.167 1.00 0.00 C ATOM 89 SG CYS A 6 5.533 2.986 2.397 1.00 0.00 S ATOM 0 H CYS A 6 3.536 1.008 3.324 1.00 0.00 H new ATOM 0 HA CYS A 6 5.847 0.830 5.170 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.510 3.606 4.727 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.915 2.632 4.340 1.00 0.00 H new ATOM 94 N PRO A 7 4.461 2.348 6.830 1.00 0.00 N ATOM 95 CA PRO A 7 3.550 2.786 7.904 1.00 0.00 C ATOM 96 C PRO A 7 2.987 4.180 7.607 1.00 0.00 C ATOM 97 O PRO A 7 2.075 4.642 8.262 1.00 0.00 O ATOM 98 CB PRO A 7 4.448 2.818 9.144 1.00 0.00 C ATOM 99 CG PRO A 7 5.900 2.954 8.627 1.00 0.00 C ATOM 100 CD PRO A 7 5.895 2.464 7.167 1.00 0.00 C ATOM 0 HA PRO A 7 2.686 2.132 8.020 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.186 3.655 9.792 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.329 1.909 9.734 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.237 3.989 8.687 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.584 2.360 9.233 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.403 3.168 6.509 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.407 1.507 7.066 1.00 0.00 H new ATOM 108 N ASN A 8 3.525 4.856 6.628 1.00 0.00 N ATOM 109 CA ASN A 8 3.014 6.219 6.303 1.00 0.00 C ATOM 110 C ASN A 8 2.936 6.393 4.784 1.00 0.00 C ATOM 111 O ASN A 8 3.656 5.748 4.049 1.00 0.00 O ATOM 112 CB ASN A 8 3.959 7.270 6.890 1.00 0.00 C ATOM 113 CG ASN A 8 5.396 6.751 6.836 1.00 0.00 C ATOM 114 OD1 ASN A 8 5.744 5.977 5.966 1.00 0.00 O ATOM 115 ND2 ASN A 8 6.254 7.149 7.736 1.00 0.00 N ATOM 0 H ASN A 8 4.292 4.526 6.042 1.00 0.00 H new ATOM 0 HA ASN A 8 2.019 6.343 6.731 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.876 8.202 6.330 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.679 7.491 7.920 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.216 6.810 7.709 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.963 7.799 8.466 1.00 0.00 H new ATOM 122 N PRO A 9 2.059 7.268 4.363 1.00 0.00 N ATOM 123 CA PRO A 9 1.855 7.561 2.936 1.00 0.00 C ATOM 124 C PRO A 9 2.971 8.464 2.418 1.00 0.00 C ATOM 125 O PRO A 9 2.820 9.665 2.307 1.00 0.00 O ATOM 126 CB PRO A 9 0.505 8.281 2.903 1.00 0.00 C ATOM 127 CG PRO A 9 0.286 8.857 4.323 1.00 0.00 C ATOM 128 CD PRO A 9 1.190 8.046 5.271 1.00 0.00 C ATOM 0 HA PRO A 9 1.868 6.671 2.307 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.506 9.076 2.157 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.296 7.593 2.635 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.542 9.916 4.355 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.760 8.773 4.618 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.774 8.699 5.920 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.605 7.393 5.919 1.00 0.00 H new ATOM 136 N THR A 10 4.092 7.887 2.103 1.00 0.00 N ATOM 137 CA THR A 10 5.232 8.697 1.589 1.00 0.00 C ATOM 138 C THR A 10 5.213 8.695 0.060 1.00 0.00 C ATOM 139 O THR A 10 4.403 8.034 -0.559 1.00 0.00 O ATOM 140 CB THR A 10 6.548 8.090 2.084 1.00 0.00 C ATOM 141 OG1 THR A 10 7.635 8.708 1.409 1.00 0.00 O ATOM 142 CG2 THR A 10 6.554 6.588 1.800 1.00 0.00 C ATOM 0 H THR A 10 4.271 6.886 2.179 1.00 0.00 H new ATOM 0 HA THR A 10 5.143 9.722 1.950 1.00 0.00 H new ATOM 0 HB THR A 10 6.647 8.255 3.157 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.478 8.322 1.725 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.490 6.155 2.152 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.719 6.116 2.318 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.457 6.420 0.727 1.00 0.00 H new ATOM 150 N ALA A 11 6.100 9.428 -0.555 1.00 0.00 N ATOM 151 CA ALA A 11 6.134 9.466 -2.043 1.00 0.00 C ATOM 152 C ALA A 11 7.442 8.846 -2.537 1.00 0.00 C ATOM 153 O ALA A 11 8.021 9.286 -3.511 1.00 0.00 O ATOM 154 CB ALA A 11 6.044 10.916 -2.522 1.00 0.00 C ATOM 0 H ALA A 11 6.803 10.003 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 11 5.290 8.902 -2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.069 10.942 -3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.112 11.358 -2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.887 11.483 -2.126 1.00 0.00 H new ATOM 160 N ASP A 12 7.915 7.828 -1.871 1.00 0.00 N ATOM 161 CA ASP A 12 9.188 7.183 -2.306 1.00 0.00 C ATOM 162 C ASP A 12 9.444 5.931 -1.465 1.00 0.00 C ATOM 163 O ASP A 12 10.569 5.606 -1.147 1.00 0.00 O ATOM 164 CB ASP A 12 10.346 8.166 -2.122 1.00 0.00 C ATOM 165 CG ASP A 12 11.138 8.272 -3.427 1.00 0.00 C ATOM 166 OD1 ASP A 12 10.605 7.887 -4.454 1.00 0.00 O ATOM 167 OD2 ASP A 12 12.265 8.736 -3.377 1.00 0.00 O ATOM 0 H ASP A 12 7.477 7.416 -1.047 1.00 0.00 H new ATOM 0 HA ASP A 12 9.111 6.903 -3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.963 9.146 -1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.997 7.830 -1.315 1.00 0.00 H new ATOM 172 N CYS A 13 8.409 5.223 -1.105 1.00 0.00 N ATOM 173 CA CYS A 13 8.600 3.990 -0.291 1.00 0.00 C ATOM 174 C CYS A 13 9.538 3.039 -1.035 1.00 0.00 C ATOM 175 O CYS A 13 9.318 2.708 -2.182 1.00 0.00 O ATOM 176 CB CYS A 13 7.248 3.308 -0.073 1.00 0.00 C ATOM 177 SG CYS A 13 7.262 2.433 1.510 1.00 0.00 S ATOM 0 H CYS A 13 7.441 5.445 -1.339 1.00 0.00 H new ATOM 0 HA CYS A 13 9.032 4.251 0.675 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.449 4.049 -0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.046 2.609 -0.885 1.00 0.00 H new ATOM 182 N LYS A 14 10.586 2.598 -0.394 1.00 0.00 N ATOM 183 CA LYS A 14 11.536 1.673 -1.073 1.00 0.00 C ATOM 184 C LYS A 14 11.798 0.456 -0.184 1.00 0.00 C ATOM 185 O LYS A 14 12.774 -0.248 -0.355 1.00 0.00 O ATOM 186 CB LYS A 14 12.855 2.403 -1.338 1.00 0.00 C ATOM 187 CG LYS A 14 13.376 3.008 -0.033 1.00 0.00 C ATOM 188 CD LYS A 14 13.540 4.520 -0.199 1.00 0.00 C ATOM 189 CE LYS A 14 14.333 5.082 0.982 1.00 0.00 C ATOM 190 NZ LYS A 14 14.110 6.553 1.075 1.00 0.00 N ATOM 0 H LYS A 14 10.825 2.838 0.568 1.00 0.00 H new ATOM 0 HA LYS A 14 11.104 1.342 -2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.590 1.711 -1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.706 3.187 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.683 2.794 0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.331 2.555 0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.056 4.740 -1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.562 4.998 -0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.021 4.597 1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.395 4.872 0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.649 6.936 1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.428 7.009 0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.097 6.742 1.216 1.00 0.00 H new ATOM 204 N THR A 15 10.938 0.200 0.762 1.00 0.00 N ATOM 205 CA THR A 15 11.148 -0.977 1.653 1.00 0.00 C ATOM 206 C THR A 15 10.881 -2.264 0.869 1.00 0.00 C ATOM 207 O THR A 15 11.405 -3.313 1.185 1.00 0.00 O ATOM 208 CB THR A 15 10.192 -0.895 2.844 1.00 0.00 C ATOM 209 OG1 THR A 15 10.384 -2.028 3.680 1.00 0.00 O ATOM 210 CG2 THR A 15 8.748 -0.868 2.343 1.00 0.00 C ATOM 0 H THR A 15 10.102 0.751 0.957 1.00 0.00 H new ATOM 0 HA THR A 15 12.176 -0.979 2.015 1.00 0.00 H new ATOM 0 HB THR A 15 10.393 0.015 3.410 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.774 -1.977 4.445 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.069 -0.810 3.194 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.602 0.001 1.701 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.542 -1.776 1.776 1.00 0.00 H new ATOM 218 N ALA A 16 10.072 -2.186 -0.156 1.00 0.00 N ATOM 219 CA ALA A 16 9.767 -3.397 -0.970 1.00 0.00 C ATOM 220 C ALA A 16 9.580 -4.604 -0.049 1.00 0.00 C ATOM 221 O ALA A 16 10.493 -5.372 0.178 1.00 0.00 O ATOM 222 CB ALA A 16 10.920 -3.660 -1.937 1.00 0.00 C ATOM 0 H ALA A 16 9.608 -1.331 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 16 8.849 -3.234 -1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.700 -4.545 -2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.046 -2.801 -2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.838 -3.822 -1.373 1.00 0.00 H new ATOM 228 N VAL A 17 8.403 -4.776 0.486 1.00 0.00 N ATOM 229 CA VAL A 17 8.159 -5.929 1.396 1.00 0.00 C ATOM 230 C VAL A 17 7.198 -6.918 0.730 1.00 0.00 C ATOM 231 O VAL A 17 6.305 -6.532 0.000 1.00 0.00 O ATOM 232 CB VAL A 17 7.546 -5.421 2.700 1.00 0.00 C ATOM 233 CG1 VAL A 17 6.315 -4.569 2.387 1.00 0.00 C ATOM 234 CG2 VAL A 17 7.134 -6.611 3.569 1.00 0.00 C ATOM 0 H VAL A 17 7.599 -4.167 0.332 1.00 0.00 H new ATOM 0 HA VAL A 17 9.103 -6.432 1.606 1.00 0.00 H new ATOM 0 HB VAL A 17 8.280 -4.818 3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.877 -4.206 3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.608 -3.720 1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.582 -5.172 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.697 -6.248 4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.401 -7.215 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.011 -7.219 3.793 1.00 0.00 H new ATOM 244 N ASN A 18 7.372 -8.188 0.977 1.00 0.00 N ATOM 245 CA ASN A 18 6.465 -9.199 0.361 1.00 0.00 C ATOM 246 C ASN A 18 5.016 -8.867 0.728 1.00 0.00 C ATOM 247 O ASN A 18 4.738 -8.366 1.800 1.00 0.00 O ATOM 248 CB ASN A 18 6.817 -10.592 0.894 1.00 0.00 C ATOM 249 CG ASN A 18 7.960 -11.190 0.070 1.00 0.00 C ATOM 250 OD1 ASN A 18 7.934 -11.180 -1.145 1.00 0.00 O ATOM 251 ND2 ASN A 18 8.963 -11.713 0.725 1.00 0.00 N ATOM 0 H ASN A 18 8.102 -8.569 1.578 1.00 0.00 H new ATOM 0 HA ASN A 18 6.582 -9.184 -0.723 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.108 -10.527 1.942 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.943 -11.241 0.845 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.746 -12.124 0.216 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.963 -11.710 1.745 1.00 0.00 H new ATOM 257 N CYS A 19 4.091 -9.143 -0.151 1.00 0.00 N ATOM 258 CA CYS A 19 2.663 -8.841 0.153 1.00 0.00 C ATOM 259 C CYS A 19 1.977 -10.097 0.695 1.00 0.00 C ATOM 260 O CYS A 19 2.602 -11.121 0.885 1.00 0.00 O ATOM 261 CB CYS A 19 1.952 -8.381 -1.122 1.00 0.00 C ATOM 262 SG CYS A 19 1.837 -6.575 -1.126 1.00 0.00 S ATOM 0 H CYS A 19 4.262 -9.564 -1.064 1.00 0.00 H new ATOM 0 HA CYS A 19 2.614 -8.049 0.901 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.499 -8.724 -2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.956 -8.820 -1.175 1.00 0.00 H new ATOM 267 N SER A 20 0.699 -10.026 0.944 1.00 0.00 N ATOM 268 CA SER A 20 -0.025 -11.216 1.474 1.00 0.00 C ATOM 269 C SER A 20 -0.411 -12.137 0.315 1.00 0.00 C ATOM 270 O SER A 20 -0.023 -11.923 -0.816 1.00 0.00 O ATOM 271 CB SER A 20 -1.287 -10.762 2.208 1.00 0.00 C ATOM 272 OG SER A 20 -0.924 -9.877 3.260 1.00 0.00 O ATOM 0 H SER A 20 0.124 -9.195 0.803 1.00 0.00 H new ATOM 0 HA SER A 20 0.622 -11.755 2.166 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.965 -10.264 1.515 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.819 -11.625 2.610 1.00 0.00 H new ATOM 0 HG SER A 20 -1.730 -9.582 3.732 1.00 0.00 H new ATOM 278 N SER A 21 -1.173 -13.161 0.587 1.00 0.00 N ATOM 279 CA SER A 21 -1.584 -14.093 -0.499 1.00 0.00 C ATOM 280 C SER A 21 -2.849 -13.564 -1.175 1.00 0.00 C ATOM 281 O SER A 21 -3.277 -14.069 -2.195 1.00 0.00 O ATOM 282 CB SER A 21 -1.861 -15.475 0.094 1.00 0.00 C ATOM 283 OG SER A 21 -3.210 -15.534 0.537 1.00 0.00 O ATOM 0 H SER A 21 -1.528 -13.392 1.515 1.00 0.00 H new ATOM 0 HA SER A 21 -0.784 -14.167 -1.236 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.677 -16.247 -0.653 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.184 -15.669 0.926 1.00 0.00 H new ATOM 0 HG SER A 21 -3.391 -16.419 0.916 1.00 0.00 H new ATOM 289 N ASP A 22 -3.451 -12.549 -0.620 1.00 0.00 N ATOM 290 CA ASP A 22 -4.685 -11.987 -1.236 1.00 0.00 C ATOM 291 C ASP A 22 -4.343 -10.682 -1.955 1.00 0.00 C ATOM 292 O ASP A 22 -5.109 -9.738 -1.946 1.00 0.00 O ATOM 293 CB ASP A 22 -5.722 -11.713 -0.145 1.00 0.00 C ATOM 294 CG ASP A 22 -5.183 -10.653 0.818 1.00 0.00 C ATOM 295 OD1 ASP A 22 -4.337 -10.993 1.628 1.00 0.00 O ATOM 296 OD2 ASP A 22 -5.625 -9.520 0.728 1.00 0.00 O ATOM 0 H ASP A 22 -3.142 -12.084 0.234 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.093 -12.701 -1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.655 -11.371 -0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.946 -12.632 0.397 1.00 0.00 H new ATOM 301 N PHE A 23 -3.196 -10.619 -2.574 1.00 0.00 N ATOM 302 CA PHE A 23 -2.804 -9.373 -3.291 1.00 0.00 C ATOM 303 C PHE A 23 -1.963 -9.732 -4.516 1.00 0.00 C ATOM 304 O PHE A 23 -0.842 -10.189 -4.399 1.00 0.00 O ATOM 305 CB PHE A 23 -1.984 -8.486 -2.353 1.00 0.00 C ATOM 306 CG PHE A 23 -2.875 -7.964 -1.251 1.00 0.00 C ATOM 307 CD1 PHE A 23 -4.030 -7.241 -1.571 1.00 0.00 C ATOM 308 CD2 PHE A 23 -2.546 -8.204 0.088 1.00 0.00 C ATOM 309 CE1 PHE A 23 -4.856 -6.757 -0.549 1.00 0.00 C ATOM 310 CE2 PHE A 23 -3.373 -7.720 1.109 1.00 0.00 C ATOM 311 CZ PHE A 23 -4.528 -6.996 0.790 1.00 0.00 C ATOM 0 H PHE A 23 -2.514 -11.376 -2.614 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.699 -8.839 -3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.156 -9.054 -1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.549 -7.655 -2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.284 -7.057 -2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.655 -8.762 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.747 -6.199 -0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.120 -7.905 2.142 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.166 -6.622 1.577 1.00 0.00 H new ATOM 321 N ASP A 24 -2.491 -9.535 -5.692 1.00 0.00 N ATOM 322 CA ASP A 24 -1.716 -9.872 -6.919 1.00 0.00 C ATOM 323 C ASP A 24 -1.558 -8.627 -7.794 1.00 0.00 C ATOM 324 O ASP A 24 -0.804 -8.621 -8.747 1.00 0.00 O ATOM 325 CB ASP A 24 -2.455 -10.956 -7.705 1.00 0.00 C ATOM 326 CG ASP A 24 -3.960 -10.688 -7.655 1.00 0.00 C ATOM 327 OD1 ASP A 24 -4.590 -11.133 -6.709 1.00 0.00 O ATOM 328 OD2 ASP A 24 -4.458 -10.043 -8.563 1.00 0.00 O ATOM 0 H ASP A 24 -3.424 -9.156 -5.857 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.729 -10.235 -6.631 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.111 -10.968 -8.739 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.236 -11.938 -7.285 1.00 0.00 H new ATOM 333 N ALA A 25 -2.259 -7.570 -7.485 1.00 0.00 N ATOM 334 CA ALA A 25 -2.137 -6.336 -8.310 1.00 0.00 C ATOM 335 C ALA A 25 -1.544 -5.209 -7.463 1.00 0.00 C ATOM 336 O ALA A 25 -2.225 -4.592 -6.670 1.00 0.00 O ATOM 337 CB ALA A 25 -3.521 -5.917 -8.815 1.00 0.00 C ATOM 0 H ALA A 25 -2.908 -7.508 -6.700 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.484 -6.535 -9.160 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.430 -5.014 -9.418 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.945 -6.718 -9.421 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.175 -5.721 -7.965 1.00 0.00 H new ATOM 343 N CYS A 26 -0.281 -4.924 -7.634 1.00 0.00 N ATOM 344 CA CYS A 26 0.340 -3.826 -6.845 1.00 0.00 C ATOM 345 C CYS A 26 -0.417 -2.540 -7.136 1.00 0.00 C ATOM 346 O CYS A 26 -1.095 -2.429 -8.136 1.00 0.00 O ATOM 347 CB CYS A 26 1.807 -3.668 -7.251 1.00 0.00 C ATOM 348 SG CYS A 26 2.788 -3.210 -5.800 1.00 0.00 S ATOM 0 H CYS A 26 0.344 -5.403 -8.283 1.00 0.00 H new ATOM 0 HA CYS A 26 0.293 -4.054 -5.780 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.180 -4.600 -7.676 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.902 -2.905 -8.023 1.00 0.00 H new ATOM 353 N LEU A 27 -0.333 -1.575 -6.271 1.00 0.00 N ATOM 354 CA LEU A 27 -1.080 -0.313 -6.517 1.00 0.00 C ATOM 355 C LEU A 27 -0.165 0.901 -6.364 1.00 0.00 C ATOM 356 O LEU A 27 0.584 1.019 -5.414 1.00 0.00 O ATOM 357 CB LEU A 27 -2.229 -0.210 -5.521 1.00 0.00 C ATOM 358 CG LEU A 27 -2.970 1.109 -5.729 1.00 0.00 C ATOM 359 CD1 LEU A 27 -4.155 0.882 -6.670 1.00 0.00 C ATOM 360 CD2 LEU A 27 -3.477 1.619 -4.379 1.00 0.00 C ATOM 0 H LEU A 27 0.215 -1.602 -5.411 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.465 -0.328 -7.537 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.914 -1.048 -5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.847 -0.267 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.296 1.845 -6.167 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.686 1.822 -6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.792 0.513 -7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.832 0.149 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.007 2.561 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.154 0.884 -3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.632 1.776 -3.709 1.00 0.00 H new ATOM 372 N ILE A 28 -0.244 1.815 -7.291 1.00 0.00 N ATOM 373 CA ILE A 28 0.590 3.045 -7.215 1.00 0.00 C ATOM 374 C ILE A 28 -0.322 4.255 -7.418 1.00 0.00 C ATOM 375 O ILE A 28 -0.581 4.671 -8.530 1.00 0.00 O ATOM 376 CB ILE A 28 1.661 3.015 -8.306 1.00 0.00 C ATOM 377 CG1 ILE A 28 2.445 4.329 -8.283 1.00 0.00 C ATOM 378 CG2 ILE A 28 0.997 2.843 -9.673 1.00 0.00 C ATOM 379 CD1 ILE A 28 3.563 4.276 -9.326 1.00 0.00 C ATOM 0 H ILE A 28 -0.857 1.761 -8.105 1.00 0.00 H new ATOM 0 HA ILE A 28 1.084 3.104 -6.245 1.00 0.00 H new ATOM 0 HB ILE A 28 2.339 2.181 -8.126 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.778 5.166 -8.491 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.866 4.496 -7.292 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.762 2.822 -10.449 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.437 1.908 -9.690 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.318 3.676 -9.855 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.121 5.212 -9.309 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.235 3.449 -9.097 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.131 4.129 -10.316 1.00 0.00 H new ATOM 391 N THR A 29 -0.825 4.811 -6.350 1.00 0.00 N ATOM 392 CA THR A 29 -1.736 5.981 -6.477 1.00 0.00 C ATOM 393 C THR A 29 -0.954 7.277 -6.241 1.00 0.00 C ATOM 394 O THR A 29 0.002 7.312 -5.491 1.00 0.00 O ATOM 395 CB THR A 29 -2.858 5.854 -5.440 1.00 0.00 C ATOM 396 OG1 THR A 29 -3.804 4.894 -5.889 1.00 0.00 O ATOM 397 CG2 THR A 29 -3.552 7.203 -5.247 1.00 0.00 C ATOM 0 H THR A 29 -0.644 4.504 -5.394 1.00 0.00 H new ATOM 0 HA THR A 29 -2.164 6.006 -7.479 1.00 0.00 H new ATOM 0 HB THR A 29 -2.432 5.536 -4.488 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.522 4.809 -5.228 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.347 7.101 -4.508 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.827 7.939 -4.900 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.978 7.532 -6.195 1.00 0.00 H new ATOM 405 N LYS A 30 -1.360 8.343 -6.877 1.00 0.00 N ATOM 406 CA LYS A 30 -0.650 9.639 -6.694 1.00 0.00 C ATOM 407 C LYS A 30 -1.680 10.762 -6.560 1.00 0.00 C ATOM 408 O LYS A 30 -2.037 11.411 -7.522 1.00 0.00 O ATOM 409 CB LYS A 30 0.244 9.910 -7.906 1.00 0.00 C ATOM 410 CG LYS A 30 1.456 10.736 -7.473 1.00 0.00 C ATOM 411 CD LYS A 30 1.978 11.543 -8.664 1.00 0.00 C ATOM 412 CE LYS A 30 2.831 10.642 -9.557 1.00 0.00 C ATOM 413 NZ LYS A 30 3.096 11.333 -10.851 1.00 0.00 N ATOM 0 H LYS A 30 -2.154 8.371 -7.516 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.035 9.595 -5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.571 8.969 -8.347 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.317 10.443 -8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.180 11.407 -6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.239 10.080 -7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.143 11.952 -9.233 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.569 12.389 -8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.772 10.405 -9.060 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.317 9.697 -9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.676 10.721 -11.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.194 11.538 -11.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.603 12.223 -10.672 1.00 0.00 H new ATOM 427 N ALA A 31 -2.162 10.991 -5.371 1.00 0.00 N ATOM 428 CA ALA A 31 -3.169 12.069 -5.172 1.00 0.00 C ATOM 429 C ALA A 31 -2.528 13.229 -4.410 1.00 0.00 C ATOM 430 O ALA A 31 -2.555 13.279 -3.197 1.00 0.00 O ATOM 431 CB ALA A 31 -4.351 11.520 -4.369 1.00 0.00 C ATOM 0 H ALA A 31 -1.902 10.478 -4.528 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.522 12.422 -6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.089 12.309 -4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.807 10.692 -4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.000 11.167 -3.399 1.00 0.00 H new ATOM 437 N GLY A 32 -1.947 14.162 -5.114 1.00 0.00 N ATOM 438 CA GLY A 32 -1.299 15.316 -4.433 1.00 0.00 C ATOM 439 C GLY A 32 0.212 15.246 -4.652 1.00 0.00 C ATOM 440 O GLY A 32 0.679 14.980 -5.741 1.00 0.00 O ATOM 0 H GLY A 32 -1.894 14.174 -6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.692 16.253 -4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.525 15.298 -3.367 1.00 0.00 H new ATOM 444 N LEU A 33 0.983 15.475 -3.626 1.00 0.00 N ATOM 445 CA LEU A 33 2.464 15.413 -3.780 1.00 0.00 C ATOM 446 C LEU A 33 2.990 14.143 -3.108 1.00 0.00 C ATOM 447 O LEU A 33 4.182 13.918 -3.033 1.00 0.00 O ATOM 448 CB LEU A 33 3.099 16.641 -3.126 1.00 0.00 C ATOM 449 CG LEU A 33 4.342 17.052 -3.917 1.00 0.00 C ATOM 450 CD1 LEU A 33 4.335 18.568 -4.129 1.00 0.00 C ATOM 451 CD2 LEU A 33 5.597 16.653 -3.138 1.00 0.00 C ATOM 0 H LEU A 33 0.653 15.702 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 33 2.720 15.397 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.384 17.463 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.369 16.418 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 33 4.339 16.550 -4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.221 18.861 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.441 18.854 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.338 19.071 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.483 16.946 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.600 17.155 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.603 15.574 -2.987 1.00 0.00 H new ATOM 463 N GLN A 34 2.112 13.311 -2.617 1.00 0.00 N ATOM 464 CA GLN A 34 2.563 12.057 -1.952 1.00 0.00 C ATOM 465 C GLN A 34 2.098 10.853 -2.773 1.00 0.00 C ATOM 466 O GLN A 34 1.407 10.993 -3.763 1.00 0.00 O ATOM 467 CB GLN A 34 1.960 11.981 -0.550 1.00 0.00 C ATOM 468 CG GLN A 34 0.445 12.178 -0.636 1.00 0.00 C ATOM 469 CD GLN A 34 0.047 13.430 0.147 1.00 0.00 C ATOM 470 OE1 GLN A 34 -0.686 13.349 1.113 1.00 0.00 O ATOM 471 NE2 GLN A 34 0.501 14.594 -0.232 1.00 0.00 N ATOM 0 H GLN A 34 1.101 13.446 -2.648 1.00 0.00 H new ATOM 0 HA GLN A 34 3.651 12.051 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.187 11.016 -0.097 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.401 12.745 0.089 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.139 12.275 -1.678 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.069 11.306 -0.233 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.116 14.662 -1.043 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.240 15.435 0.283 1.00 0.00 H new ATOM 480 N VAL A 35 2.469 9.670 -2.369 1.00 0.00 N ATOM 481 CA VAL A 35 2.045 8.459 -3.127 1.00 0.00 C ATOM 482 C VAL A 35 1.515 7.409 -2.151 1.00 0.00 C ATOM 483 O VAL A 35 1.956 7.315 -1.024 1.00 0.00 O ATOM 484 CB VAL A 35 3.241 7.886 -3.889 1.00 0.00 C ATOM 485 CG1 VAL A 35 2.853 6.545 -4.512 1.00 0.00 C ATOM 486 CG2 VAL A 35 3.656 8.861 -4.994 1.00 0.00 C ATOM 0 H VAL A 35 3.047 9.489 -1.548 1.00 0.00 H new ATOM 0 HA VAL A 35 1.261 8.730 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 35 4.074 7.740 -3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.705 6.136 -5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.557 5.851 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.020 6.691 -5.200 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.508 8.453 -5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.823 9.007 -5.682 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.932 9.818 -4.550 1.00 0.00 H new ATOM 496 N TYR A 36 0.569 6.618 -2.575 1.00 0.00 N ATOM 497 CA TYR A 36 0.012 5.574 -1.671 1.00 0.00 C ATOM 498 C TYR A 36 0.509 4.198 -2.117 1.00 0.00 C ATOM 499 O TYR A 36 -0.143 3.503 -2.869 1.00 0.00 O ATOM 500 CB TYR A 36 -1.517 5.613 -1.731 1.00 0.00 C ATOM 501 CG TYR A 36 -2.023 6.770 -0.905 1.00 0.00 C ATOM 502 CD1 TYR A 36 -2.009 8.066 -1.435 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.504 6.549 0.390 1.00 0.00 C ATOM 504 CE1 TYR A 36 -2.477 9.140 -0.669 1.00 0.00 C ATOM 505 CE2 TYR A 36 -2.972 7.623 1.157 1.00 0.00 C ATOM 506 CZ TYR A 36 -2.959 8.918 0.627 1.00 0.00 C ATOM 507 OH TYR A 36 -3.420 9.977 1.382 1.00 0.00 O ATOM 0 H TYR A 36 0.158 6.649 -3.508 1.00 0.00 H new ATOM 0 HA TYR A 36 0.339 5.763 -0.648 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.849 5.717 -2.764 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.930 4.677 -1.356 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.637 8.237 -2.434 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.514 5.549 0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.466 10.140 -1.077 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.343 7.452 2.157 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.719 9.650 2.256 1.00 0.00 H new ATOM 517 N ASN A 37 1.663 3.802 -1.656 1.00 0.00 N ATOM 518 CA ASN A 37 2.207 2.472 -2.051 1.00 0.00 C ATOM 519 C ASN A 37 1.518 1.377 -1.234 1.00 0.00 C ATOM 520 O ASN A 37 1.739 1.242 -0.048 1.00 0.00 O ATOM 521 CB ASN A 37 3.713 2.439 -1.781 1.00 0.00 C ATOM 522 CG ASN A 37 4.399 3.548 -2.583 1.00 0.00 C ATOM 523 OD1 ASN A 37 4.690 3.376 -3.750 1.00 0.00 O ATOM 524 ND2 ASN A 37 4.671 4.684 -2.002 1.00 0.00 N ATOM 0 H ASN A 37 2.253 4.342 -1.023 1.00 0.00 H new ATOM 0 HA ASN A 37 2.023 2.303 -3.112 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.906 2.573 -0.717 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.122 1.468 -2.059 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.128 5.429 -2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.426 4.827 -1.022 1.00 0.00 H new ATOM 531 N LYS A 38 0.681 0.594 -1.860 1.00 0.00 N ATOM 532 CA LYS A 38 -0.022 -0.488 -1.115 1.00 0.00 C ATOM 533 C LYS A 38 -0.434 -1.600 -2.080 1.00 0.00 C ATOM 534 O LYS A 38 -0.556 -1.397 -3.273 1.00 0.00 O ATOM 535 CB LYS A 38 -1.270 0.085 -0.439 1.00 0.00 C ATOM 536 CG LYS A 38 -0.946 0.439 1.013 1.00 0.00 C ATOM 537 CD LYS A 38 -2.245 0.651 1.794 1.00 0.00 C ATOM 538 CE LYS A 38 -2.516 2.150 1.931 1.00 0.00 C ATOM 539 NZ LYS A 38 -3.638 2.369 2.886 1.00 0.00 N ATOM 0 H LYS A 38 0.455 0.657 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 38 0.649 -0.897 -0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.611 0.972 -0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.082 -0.641 -0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.361 -0.359 1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.336 1.342 1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.075 0.166 1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.169 0.192 2.780 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.620 2.661 2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.764 2.575 0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.821 3.389 2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.493 1.894 2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.384 1.977 3.815 1.00 0.00 H new ATOM 553 N CYS A 39 -0.655 -2.776 -1.562 1.00 0.00 N ATOM 554 CA CYS A 39 -1.070 -3.913 -2.430 1.00 0.00 C ATOM 555 C CYS A 39 -2.564 -3.783 -2.725 1.00 0.00 C ATOM 556 O CYS A 39 -3.328 -3.340 -1.891 1.00 0.00 O ATOM 557 CB CYS A 39 -0.810 -5.235 -1.702 1.00 0.00 C ATOM 558 SG CYS A 39 0.483 -6.160 -2.567 1.00 0.00 S ATOM 0 H CYS A 39 -0.566 -2.999 -0.571 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.501 -3.897 -3.360 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.507 -5.042 -0.673 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.726 -5.824 -1.659 1.00 0.00 H new ATOM 563 N TRP A 40 -2.992 -4.146 -3.902 1.00 0.00 N ATOM 564 CA TRP A 40 -4.433 -4.017 -4.225 1.00 0.00 C ATOM 565 C TRP A 40 -4.856 -5.139 -5.177 1.00 0.00 C ATOM 566 O TRP A 40 -4.036 -5.784 -5.802 1.00 0.00 O ATOM 567 CB TRP A 40 -4.657 -2.661 -4.885 1.00 0.00 C ATOM 568 CG TRP A 40 -6.034 -2.182 -4.591 1.00 0.00 C ATOM 569 CD1 TRP A 40 -7.146 -2.591 -5.234 1.00 0.00 C ATOM 570 CD2 TRP A 40 -6.463 -1.213 -3.594 1.00 0.00 C ATOM 571 NE1 TRP A 40 -8.238 -1.927 -4.700 1.00 0.00 N ATOM 572 CE2 TRP A 40 -7.866 -1.066 -3.684 1.00 0.00 C ATOM 573 CE3 TRP A 40 -5.775 -0.453 -2.632 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -8.563 -0.194 -2.847 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -6.471 0.425 -1.786 1.00 0.00 C ATOM 576 CH2 TRP A 40 -7.865 0.555 -1.894 1.00 0.00 C ATOM 0 H TRP A 40 -2.407 -4.524 -4.648 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.029 -4.093 -3.316 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -3.925 -1.942 -4.518 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.512 -2.742 -5.962 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.180 -3.316 -6.033 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.199 -2.057 -5.017 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.703 -0.545 -2.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -9.635 -0.098 -2.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.932 1.003 -1.049 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -8.397 1.232 -1.242 1.00 0.00 H new ATOM 587 N LYS A 41 -6.134 -5.381 -5.285 1.00 0.00 N ATOM 588 CA LYS A 41 -6.618 -6.462 -6.189 1.00 0.00 C ATOM 589 C LYS A 41 -6.823 -5.899 -7.596 1.00 0.00 C ATOM 590 O LYS A 41 -7.039 -4.717 -7.778 1.00 0.00 O ATOM 591 CB LYS A 41 -7.945 -7.009 -5.657 1.00 0.00 C ATOM 592 CG LYS A 41 -7.833 -7.245 -4.149 1.00 0.00 C ATOM 593 CD LYS A 41 -8.634 -8.491 -3.764 1.00 0.00 C ATOM 594 CE LYS A 41 -7.713 -9.496 -3.069 1.00 0.00 C ATOM 595 NZ LYS A 41 -8.157 -10.882 -3.392 1.00 0.00 N ATOM 0 H LYS A 41 -6.865 -4.875 -4.785 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.881 -7.264 -6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.751 -6.305 -5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.196 -7.941 -6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.788 -7.371 -3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.208 -6.377 -3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.456 -8.218 -3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.076 -8.941 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.683 -9.347 -3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.733 -9.338 -1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.532 -11.566 -2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.133 -11.020 -3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.116 -11.029 -4.421 1.00 0.00 H new ATOM 609 N PHE A 42 -6.765 -6.738 -8.595 1.00 0.00 N ATOM 610 CA PHE A 42 -6.962 -6.254 -9.990 1.00 0.00 C ATOM 611 C PHE A 42 -8.455 -6.069 -10.243 1.00 0.00 C ATOM 612 O PHE A 42 -8.866 -5.286 -11.077 1.00 0.00 O ATOM 613 CB PHE A 42 -6.401 -7.285 -10.971 1.00 0.00 C ATOM 614 CG PHE A 42 -5.411 -6.618 -11.896 1.00 0.00 C ATOM 615 CD1 PHE A 42 -5.736 -5.404 -12.513 1.00 0.00 C ATOM 616 CD2 PHE A 42 -4.166 -7.213 -12.136 1.00 0.00 C ATOM 617 CE1 PHE A 42 -4.818 -4.786 -13.371 1.00 0.00 C ATOM 618 CE2 PHE A 42 -3.248 -6.595 -12.993 1.00 0.00 C ATOM 619 CZ PHE A 42 -3.573 -5.382 -13.611 1.00 0.00 C ATOM 0 H PHE A 42 -6.589 -7.739 -8.504 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.444 -5.305 -10.130 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.916 -8.095 -10.426 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.211 -7.730 -11.549 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.695 -4.944 -12.327 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.914 -8.149 -11.660 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.070 -3.850 -13.848 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.288 -7.054 -13.178 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.864 -4.906 -14.272 1.00 0.00 H new ATOM 629 N GLU A 43 -9.272 -6.784 -9.522 1.00 0.00 N ATOM 630 CA GLU A 43 -10.741 -6.652 -9.711 1.00 0.00 C ATOM 631 C GLU A 43 -11.208 -5.334 -9.095 1.00 0.00 C ATOM 632 O GLU A 43 -12.183 -4.747 -9.522 1.00 0.00 O ATOM 633 CB GLU A 43 -11.454 -7.822 -9.027 1.00 0.00 C ATOM 634 CG GLU A 43 -10.807 -8.089 -7.666 1.00 0.00 C ATOM 635 CD GLU A 43 -11.745 -8.942 -6.813 1.00 0.00 C ATOM 636 OE1 GLU A 43 -12.868 -9.160 -7.238 1.00 0.00 O ATOM 637 OE2 GLU A 43 -11.326 -9.365 -5.748 1.00 0.00 O ATOM 0 H GLU A 43 -8.985 -7.455 -8.809 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.977 -6.663 -10.775 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.512 -7.593 -8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.394 -8.713 -9.651 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.854 -8.600 -7.799 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.596 -7.146 -7.161 1.00 0.00 H new ATOM 644 N HIS A 44 -10.512 -4.860 -8.099 1.00 0.00 N ATOM 645 CA HIS A 44 -10.905 -3.576 -7.460 1.00 0.00 C ATOM 646 C HIS A 44 -10.010 -2.458 -7.995 1.00 0.00 C ATOM 647 O HIS A 44 -9.862 -1.418 -7.386 1.00 0.00 O ATOM 648 CB HIS A 44 -10.742 -3.688 -5.942 1.00 0.00 C ATOM 649 CG HIS A 44 -11.631 -4.787 -5.425 1.00 0.00 C ATOM 650 ND1 HIS A 44 -11.750 -5.066 -4.072 1.00 0.00 N ATOM 651 CD2 HIS A 44 -12.453 -5.680 -6.065 1.00 0.00 C ATOM 652 CE1 HIS A 44 -12.616 -6.089 -3.944 1.00 0.00 C ATOM 653 NE2 HIS A 44 -13.075 -6.501 -5.129 1.00 0.00 N ATOM 0 H HIS A 44 -9.687 -5.308 -7.700 1.00 0.00 H new ATOM 0 HA HIS A 44 -11.947 -3.352 -7.691 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.702 -3.898 -5.691 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -11.000 -2.742 -5.466 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.596 -5.737 -7.134 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.904 -6.524 -2.998 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -13.738 -7.255 -5.309 1.00 0.00 H new ATOM 661 N CYS A 45 -9.409 -2.671 -9.135 1.00 0.00 N ATOM 662 CA CYS A 45 -8.520 -1.629 -9.721 1.00 0.00 C ATOM 663 C CYS A 45 -9.305 -0.808 -10.746 1.00 0.00 C ATOM 664 O CYS A 45 -9.117 -0.948 -11.939 1.00 0.00 O ATOM 665 CB CYS A 45 -7.334 -2.303 -10.416 1.00 0.00 C ATOM 666 SG CYS A 45 -6.023 -2.616 -9.210 1.00 0.00 S ATOM 0 H CYS A 45 -9.496 -3.525 -9.686 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.156 -0.975 -8.929 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.652 -3.240 -10.874 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.960 -1.667 -11.218 1.00 0.00 H new ATOM 671 N ASN A 46 -10.182 0.045 -10.296 1.00 0.00 N ATOM 672 CA ASN A 46 -10.974 0.868 -11.253 1.00 0.00 C ATOM 673 C ASN A 46 -11.182 2.270 -10.677 1.00 0.00 C ATOM 674 O ASN A 46 -10.670 2.602 -9.625 1.00 0.00 O ATOM 675 CB ASN A 46 -12.334 0.206 -11.490 1.00 0.00 C ATOM 676 CG ASN A 46 -12.844 -0.398 -10.179 1.00 0.00 C ATOM 677 OD1 ASN A 46 -13.799 0.086 -9.605 1.00 0.00 O ATOM 678 ND2 ASN A 46 -12.244 -1.446 -9.682 1.00 0.00 N ATOM 0 H ASN A 46 -10.385 0.208 -9.310 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.435 0.943 -12.198 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.047 0.940 -11.866 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -12.245 -0.570 -12.250 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.577 -1.859 -8.811 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.442 -1.851 -10.165 1.00 0.00 H new ATOM 685 N PHE A 47 -11.930 3.096 -11.358 1.00 0.00 N ATOM 686 CA PHE A 47 -12.173 4.478 -10.854 1.00 0.00 C ATOM 687 C PHE A 47 -13.350 4.464 -9.876 1.00 0.00 C ATOM 688 O PHE A 47 -14.348 5.125 -10.083 1.00 0.00 O ATOM 689 CB PHE A 47 -12.503 5.398 -12.032 1.00 0.00 C ATOM 690 CG PHE A 47 -11.320 6.288 -12.326 1.00 0.00 C ATOM 691 CD1 PHE A 47 -10.686 6.974 -11.284 1.00 0.00 C ATOM 692 CD2 PHE A 47 -10.857 6.425 -13.639 1.00 0.00 C ATOM 693 CE1 PHE A 47 -9.588 7.798 -11.555 1.00 0.00 C ATOM 694 CE2 PHE A 47 -9.760 7.251 -13.911 1.00 0.00 C ATOM 695 CZ PHE A 47 -9.124 7.937 -12.869 1.00 0.00 C ATOM 0 H PHE A 47 -12.384 2.872 -12.244 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.280 4.842 -10.345 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.752 4.804 -12.912 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -13.378 6.004 -11.799 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.044 6.867 -10.271 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.346 5.894 -14.442 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.098 8.327 -10.751 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.404 7.359 -14.925 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.276 8.573 -13.078 1.00 0.00 H new ATOM 705 N ASN A 48 -13.242 3.718 -8.811 1.00 0.00 N ATOM 706 CA ASN A 48 -14.357 3.664 -7.825 1.00 0.00 C ATOM 707 C ASN A 48 -13.992 2.701 -6.693 1.00 0.00 C ATOM 708 O ASN A 48 -14.355 2.905 -5.550 1.00 0.00 O ATOM 709 CB ASN A 48 -15.630 3.178 -8.521 1.00 0.00 C ATOM 710 CG ASN A 48 -16.853 3.665 -7.744 1.00 0.00 C ATOM 711 OD1 ASN A 48 -17.542 4.567 -8.177 1.00 0.00 O ATOM 712 ND2 ASN A 48 -17.154 3.103 -6.606 1.00 0.00 N ATOM 0 H ASN A 48 -12.431 3.144 -8.581 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.526 4.659 -7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.663 3.552 -9.544 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.633 2.090 -8.579 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.968 3.421 -6.080 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.576 2.346 -6.242 1.00 0.00 H new ATOM 719 N ASP A 49 -13.274 1.655 -6.998 1.00 0.00 N ATOM 720 CA ASP A 49 -12.884 0.684 -5.937 1.00 0.00 C ATOM 721 C ASP A 49 -11.715 1.254 -5.134 1.00 0.00 C ATOM 722 O ASP A 49 -11.664 1.142 -3.925 1.00 0.00 O ATOM 723 CB ASP A 49 -12.463 -0.637 -6.584 1.00 0.00 C ATOM 724 CG ASP A 49 -13.644 -1.609 -6.578 1.00 0.00 C ATOM 725 OD1 ASP A 49 -13.822 -2.288 -5.580 1.00 0.00 O ATOM 726 OD2 ASP A 49 -14.351 -1.656 -7.570 1.00 0.00 O ATOM 0 H ASP A 49 -12.941 1.431 -7.936 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.731 0.509 -5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.127 -0.462 -7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.621 -1.068 -6.041 1.00 0.00 H new ATOM 731 N VAL A 50 -10.773 1.867 -5.799 1.00 0.00 N ATOM 732 CA VAL A 50 -9.605 2.446 -5.079 1.00 0.00 C ATOM 733 C VAL A 50 -9.952 3.858 -4.596 1.00 0.00 C ATOM 734 O VAL A 50 -9.590 4.259 -3.508 1.00 0.00 O ATOM 735 CB VAL A 50 -8.406 2.515 -6.030 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.320 3.410 -5.431 1.00 0.00 C ATOM 737 CG2 VAL A 50 -7.842 1.110 -6.242 1.00 0.00 C ATOM 0 H VAL A 50 -10.763 1.991 -6.811 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.357 1.819 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.730 2.929 -6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.470 3.455 -6.111 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.718 4.413 -5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.997 3.000 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.989 1.159 -6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.523 0.698 -5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.612 0.470 -6.674 1.00 0.00 H new ATOM 747 N THR A 51 -10.647 4.614 -5.401 1.00 0.00 N ATOM 748 CA THR A 51 -11.010 6.002 -4.995 1.00 0.00 C ATOM 749 C THR A 51 -12.037 5.960 -3.860 1.00 0.00 C ATOM 750 O THR A 51 -12.281 6.950 -3.200 1.00 0.00 O ATOM 751 CB THR A 51 -11.605 6.744 -6.195 1.00 0.00 C ATOM 752 OG1 THR A 51 -12.339 5.831 -6.998 1.00 0.00 O ATOM 753 CG2 THR A 51 -10.479 7.366 -7.022 1.00 0.00 C ATOM 0 H THR A 51 -10.979 4.331 -6.323 1.00 0.00 H new ATOM 0 HA THR A 51 -10.116 6.521 -4.650 1.00 0.00 H new ATOM 0 HB THR A 51 -12.270 7.532 -5.842 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.722 6.305 -7.766 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.904 7.894 -7.876 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.918 8.067 -6.404 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.811 6.581 -7.376 1.00 0.00 H new ATOM 761 N THR A 52 -12.642 4.828 -3.628 1.00 0.00 N ATOM 762 CA THR A 52 -13.650 4.738 -2.537 1.00 0.00 C ATOM 763 C THR A 52 -13.015 4.101 -1.301 1.00 0.00 C ATOM 764 O THR A 52 -13.228 4.539 -0.188 1.00 0.00 O ATOM 765 CB THR A 52 -14.826 3.882 -3.002 1.00 0.00 C ATOM 766 OG1 THR A 52 -15.451 4.500 -4.119 1.00 0.00 O ATOM 767 CG2 THR A 52 -15.835 3.746 -1.864 1.00 0.00 C ATOM 0 H THR A 52 -12.482 3.964 -4.146 1.00 0.00 H new ATOM 0 HA THR A 52 -14.002 5.739 -2.287 1.00 0.00 H new ATOM 0 HB THR A 52 -14.466 2.894 -3.290 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.396 3.905 -4.896 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.675 3.135 -2.194 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.356 3.272 -1.008 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.195 4.734 -1.577 1.00 0.00 H new ATOM 775 N ARG A 53 -12.229 3.073 -1.482 1.00 0.00 N ATOM 776 CA ARG A 53 -11.583 2.423 -0.309 1.00 0.00 C ATOM 777 C ARG A 53 -10.658 3.436 0.360 1.00 0.00 C ATOM 778 O ARG A 53 -10.501 3.452 1.564 1.00 0.00 O ATOM 779 CB ARG A 53 -10.774 1.209 -0.773 1.00 0.00 C ATOM 780 CG ARG A 53 -11.696 -0.009 -0.873 1.00 0.00 C ATOM 781 CD ARG A 53 -10.853 -1.286 -0.940 1.00 0.00 C ATOM 782 NE ARG A 53 -11.087 -2.103 0.284 1.00 0.00 N ATOM 783 CZ ARG A 53 -10.677 -3.341 0.330 1.00 0.00 C ATOM 784 NH1 ARG A 53 -10.860 -4.126 -0.695 1.00 0.00 N ATOM 785 NH2 ARG A 53 -10.084 -3.794 1.401 1.00 0.00 N ATOM 0 H ARG A 53 -12.008 2.658 -2.387 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.342 2.090 0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.315 1.412 -1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.964 1.009 -0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.362 -0.045 -0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.326 0.070 -1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.115 -1.860 -1.829 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.796 -1.032 -1.024 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.568 -1.695 1.086 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.323 -3.772 -1.532 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.540 -5.094 -0.660 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.941 -3.180 2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.764 -4.762 1.436 1.00 0.00 H new ATOM 799 N LEU A 54 -10.052 4.291 -0.417 1.00 0.00 N ATOM 800 CA LEU A 54 -9.146 5.316 0.163 1.00 0.00 C ATOM 801 C LEU A 54 -9.938 6.602 0.417 1.00 0.00 C ATOM 802 O LEU A 54 -9.432 7.553 0.978 1.00 0.00 O ATOM 803 CB LEU A 54 -8.013 5.597 -0.821 1.00 0.00 C ATOM 804 CG LEU A 54 -7.179 4.331 -1.002 1.00 0.00 C ATOM 805 CD1 LEU A 54 -6.097 4.577 -2.054 1.00 0.00 C ATOM 806 CD2 LEU A 54 -6.524 3.962 0.329 1.00 0.00 C ATOM 0 H LEU A 54 -10.147 4.322 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.730 4.955 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.420 5.919 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.387 6.409 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.822 3.515 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.502 3.673 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.565 4.841 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.451 5.393 -1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.928 3.058 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.881 4.779 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.296 3.786 1.078 1.00 0.00 H new ATOM 818 N ARG A 55 -11.178 6.636 0.004 1.00 0.00 N ATOM 819 CA ARG A 55 -12.004 7.857 0.215 1.00 0.00 C ATOM 820 C ARG A 55 -11.358 9.040 -0.508 1.00 0.00 C ATOM 821 O ARG A 55 -11.395 10.162 -0.041 1.00 0.00 O ATOM 822 CB ARG A 55 -12.104 8.160 1.711 1.00 0.00 C ATOM 823 CG ARG A 55 -13.551 7.965 2.171 1.00 0.00 C ATOM 824 CD ARG A 55 -13.614 8.015 3.699 1.00 0.00 C ATOM 825 NE ARG A 55 -13.661 9.435 4.146 1.00 0.00 N ATOM 826 CZ ARG A 55 -13.245 9.756 5.341 1.00 0.00 C ATOM 827 NH1 ARG A 55 -12.158 9.215 5.820 1.00 0.00 N ATOM 828 NH2 ARG A 55 -13.916 10.618 6.057 1.00 0.00 N ATOM 0 H ARG A 55 -11.653 5.869 -0.471 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.005 7.691 -0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.440 7.502 2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.782 9.182 1.909 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.187 8.741 1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.932 7.009 1.812 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.495 7.481 4.055 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.744 7.516 4.126 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.018 10.156 3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.634 8.542 5.261 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.832 9.465 6.754 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.765 11.041 5.682 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.591 10.869 6.991 1.00 0.00 H new ATOM 842 N GLU A 56 -10.770 8.799 -1.646 1.00 0.00 N ATOM 843 CA GLU A 56 -10.125 9.908 -2.404 1.00 0.00 C ATOM 844 C GLU A 56 -10.599 9.868 -3.858 1.00 0.00 C ATOM 845 O GLU A 56 -11.007 8.838 -4.358 1.00 0.00 O ATOM 846 CB GLU A 56 -8.604 9.743 -2.355 1.00 0.00 C ATOM 847 CG GLU A 56 -8.124 9.863 -0.908 1.00 0.00 C ATOM 848 CD GLU A 56 -6.984 10.881 -0.831 1.00 0.00 C ATOM 849 OE1 GLU A 56 -6.066 10.773 -1.627 1.00 0.00 O ATOM 850 OE2 GLU A 56 -7.050 11.750 0.023 1.00 0.00 O ATOM 0 H GLU A 56 -10.708 7.880 -2.085 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.398 10.864 -1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.319 8.774 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.125 10.503 -2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.947 10.174 -0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.785 8.893 -0.545 1.00 0.00 H new ATOM 857 N ASN A 57 -10.553 10.977 -4.542 1.00 0.00 N ATOM 858 CA ASN A 57 -11.006 10.993 -5.960 1.00 0.00 C ATOM 859 C ASN A 57 -9.863 11.466 -6.859 1.00 0.00 C ATOM 860 O ASN A 57 -9.325 10.710 -7.644 1.00 0.00 O ATOM 861 CB ASN A 57 -12.199 11.942 -6.102 1.00 0.00 C ATOM 862 CG ASN A 57 -13.388 11.184 -6.695 1.00 0.00 C ATOM 863 OD1 ASN A 57 -14.117 11.715 -7.509 1.00 0.00 O ATOM 864 ND2 ASN A 57 -13.618 9.955 -6.319 1.00 0.00 N ATOM 0 H ASN A 57 -10.222 11.872 -4.181 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.304 9.988 -6.258 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.466 12.355 -5.129 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.934 12.783 -6.743 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.409 9.442 -6.709 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.007 9.508 -5.636 1.00 0.00 H new ATOM 871 N GLU A 58 -9.485 12.711 -6.754 1.00 0.00 N ATOM 872 CA GLU A 58 -8.376 13.225 -7.606 1.00 0.00 C ATOM 873 C GLU A 58 -7.113 12.407 -7.339 1.00 0.00 C ATOM 874 O GLU A 58 -6.325 12.727 -6.471 1.00 0.00 O ATOM 875 CB GLU A 58 -8.111 14.694 -7.269 1.00 0.00 C ATOM 876 CG GLU A 58 -8.618 15.575 -8.410 1.00 0.00 C ATOM 877 CD GLU A 58 -7.757 16.835 -8.506 1.00 0.00 C ATOM 878 OE1 GLU A 58 -6.971 17.062 -7.601 1.00 0.00 O ATOM 879 OE2 GLU A 58 -7.897 17.553 -9.484 1.00 0.00 O ATOM 0 H GLU A 58 -9.896 13.393 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.653 13.138 -8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.612 14.961 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.044 14.857 -7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.583 15.025 -9.351 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.660 15.846 -8.238 1.00 0.00 H new ATOM 886 N LEU A 59 -6.914 11.347 -8.075 1.00 0.00 N ATOM 887 CA LEU A 59 -5.705 10.509 -7.853 1.00 0.00 C ATOM 888 C LEU A 59 -5.482 9.589 -9.056 1.00 0.00 C ATOM 889 O LEU A 59 -6.411 9.033 -9.606 1.00 0.00 O ATOM 890 CB LEU A 59 -5.907 9.660 -6.596 1.00 0.00 C ATOM 891 CG LEU A 59 -7.166 8.805 -6.756 1.00 0.00 C ATOM 892 CD1 LEU A 59 -6.765 7.352 -7.013 1.00 0.00 C ATOM 893 CD2 LEU A 59 -8.006 8.884 -5.478 1.00 0.00 C ATOM 0 H LEU A 59 -7.535 11.027 -8.818 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.835 11.154 -7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.039 9.021 -6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.000 10.303 -5.721 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.751 9.176 -7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.661 6.742 -7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.169 7.295 -7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.179 6.982 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.902 8.275 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.422 8.514 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.293 9.920 -5.294 1.00 0.00 H new ATOM 905 N THR A 60 -4.253 9.419 -9.463 1.00 0.00 N ATOM 906 CA THR A 60 -3.967 8.528 -10.623 1.00 0.00 C ATOM 907 C THR A 60 -3.566 7.148 -10.099 1.00 0.00 C ATOM 908 O THR A 60 -2.415 6.896 -9.800 1.00 0.00 O ATOM 909 CB THR A 60 -2.826 9.120 -11.455 1.00 0.00 C ATOM 910 OG1 THR A 60 -2.437 8.189 -12.454 1.00 0.00 O ATOM 911 CG2 THR A 60 -1.634 9.428 -10.548 1.00 0.00 C ATOM 0 H THR A 60 -3.435 9.859 -9.042 1.00 0.00 H new ATOM 0 HA THR A 60 -4.854 8.439 -11.251 1.00 0.00 H new ATOM 0 HB THR A 60 -3.164 10.041 -11.929 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.957 8.657 -13.169 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.823 9.849 -11.143 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.934 10.145 -9.784 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.294 8.509 -10.070 1.00 0.00 H new ATOM 919 N TYR A 61 -4.511 6.257 -9.967 1.00 0.00 N ATOM 920 CA TYR A 61 -4.192 4.898 -9.442 1.00 0.00 C ATOM 921 C TYR A 61 -3.822 3.957 -10.593 1.00 0.00 C ATOM 922 O TYR A 61 -4.541 3.834 -11.565 1.00 0.00 O ATOM 923 CB TYR A 61 -5.413 4.343 -8.704 1.00 0.00 C ATOM 924 CG TYR A 61 -6.470 3.930 -9.705 1.00 0.00 C ATOM 925 CD1 TYR A 61 -6.420 2.658 -10.288 1.00 0.00 C ATOM 926 CD2 TYR A 61 -7.495 4.819 -10.049 1.00 0.00 C ATOM 927 CE1 TYR A 61 -7.396 2.276 -11.217 1.00 0.00 C ATOM 928 CE2 TYR A 61 -8.471 4.436 -10.977 1.00 0.00 C ATOM 929 CZ TYR A 61 -8.421 3.164 -11.562 1.00 0.00 C ATOM 930 OH TYR A 61 -9.383 2.786 -12.477 1.00 0.00 O ATOM 0 H TYR A 61 -5.492 6.412 -10.200 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.346 4.970 -8.759 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.123 3.488 -8.093 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.814 5.097 -8.027 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.630 1.972 -10.022 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.533 5.800 -9.599 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.358 1.295 -11.668 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.263 5.121 -11.242 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.591 3.542 -13.065 1.00 0.00 H new ATOM 940 N TYR A 62 -2.710 3.283 -10.483 1.00 0.00 N ATOM 941 CA TYR A 62 -2.300 2.337 -11.558 1.00 0.00 C ATOM 942 C TYR A 62 -1.831 1.028 -10.920 1.00 0.00 C ATOM 943 O TYR A 62 -0.912 1.010 -10.125 1.00 0.00 O ATOM 944 CB TYR A 62 -1.159 2.941 -12.376 1.00 0.00 C ATOM 945 CG TYR A 62 -0.739 1.959 -13.442 1.00 0.00 C ATOM 946 CD1 TYR A 62 -1.354 1.984 -14.699 1.00 0.00 C ATOM 947 CD2 TYR A 62 0.263 1.020 -13.172 1.00 0.00 C ATOM 948 CE1 TYR A 62 -0.967 1.070 -15.686 1.00 0.00 C ATOM 949 CE2 TYR A 62 0.649 0.106 -14.159 1.00 0.00 C ATOM 950 CZ TYR A 62 0.035 0.131 -15.416 1.00 0.00 C ATOM 951 OH TYR A 62 0.417 -0.771 -16.388 1.00 0.00 O ATOM 0 H TYR A 62 -2.067 3.347 -9.694 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.148 2.147 -12.216 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.479 3.877 -12.833 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.315 3.175 -11.727 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.127 2.709 -14.907 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.738 1.001 -12.202 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.442 1.089 -16.656 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.422 -0.619 -13.950 1.00 0.00 H new ATOM 0 HH TYR A 62 1.124 -1.351 -16.036 1.00 0.00 H new ATOM 961 N CYS A 63 -2.459 -0.068 -11.251 1.00 0.00 N ATOM 962 CA CYS A 63 -2.050 -1.368 -10.649 1.00 0.00 C ATOM 963 C CYS A 63 -1.049 -2.078 -11.560 1.00 0.00 C ATOM 964 O CYS A 63 -0.996 -1.842 -12.751 1.00 0.00 O ATOM 965 CB CYS A 63 -3.287 -2.245 -10.454 1.00 0.00 C ATOM 966 SG CYS A 63 -4.594 -1.267 -9.673 1.00 0.00 S ATOM 0 H CYS A 63 -3.235 -0.119 -11.911 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.576 -1.185 -9.685 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.629 -2.630 -11.415 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.042 -3.107 -9.834 1.00 0.00 H new ATOM 971 N CYS A 64 -0.249 -2.946 -11.002 1.00 0.00 N ATOM 972 CA CYS A 64 0.760 -3.672 -11.826 1.00 0.00 C ATOM 973 C CYS A 64 0.803 -5.141 -11.400 1.00 0.00 C ATOM 974 O CYS A 64 0.033 -5.579 -10.567 1.00 0.00 O ATOM 975 CB CYS A 64 2.134 -3.035 -11.605 1.00 0.00 C ATOM 976 SG CYS A 64 3.147 -3.220 -13.094 1.00 0.00 S ATOM 0 H CYS A 64 -0.251 -3.184 -10.010 1.00 0.00 H new ATOM 0 HA CYS A 64 0.491 -3.610 -12.880 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.020 -1.979 -11.362 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.630 -3.506 -10.756 1.00 0.00 H new ATOM 981 N LYS A 65 1.700 -5.908 -11.961 1.00 0.00 N ATOM 982 CA LYS A 65 1.792 -7.347 -11.582 1.00 0.00 C ATOM 983 C LYS A 65 3.251 -7.804 -11.649 1.00 0.00 C ATOM 984 O LYS A 65 3.545 -8.911 -12.051 1.00 0.00 O ATOM 985 CB LYS A 65 0.954 -8.186 -12.549 1.00 0.00 C ATOM 986 CG LYS A 65 1.586 -8.149 -13.942 1.00 0.00 C ATOM 987 CD LYS A 65 0.522 -8.471 -14.993 1.00 0.00 C ATOM 988 CE LYS A 65 0.195 -9.965 -14.948 1.00 0.00 C ATOM 989 NZ LYS A 65 0.625 -10.607 -16.223 1.00 0.00 N ATOM 0 H LYS A 65 2.372 -5.600 -12.664 1.00 0.00 H new ATOM 0 HA LYS A 65 1.417 -7.476 -10.567 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.892 -9.215 -12.194 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.065 -7.801 -12.591 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.015 -7.165 -14.133 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.402 -8.869 -14.002 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.378 -7.885 -14.806 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.881 -8.196 -15.985 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.701 -10.434 -14.104 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.875 -10.110 -14.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.403 -11.623 -16.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.123 -10.166 -17.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.650 -10.480 -16.347 1.00 0.00 H new ATOM 1003 N LYS A 66 4.167 -6.962 -11.257 1.00 0.00 N ATOM 1004 CA LYS A 66 5.603 -7.356 -11.299 1.00 0.00 C ATOM 1005 C LYS A 66 6.241 -7.113 -9.931 1.00 0.00 C ATOM 1006 O LYS A 66 5.754 -6.331 -9.138 1.00 0.00 O ATOM 1007 CB LYS A 66 6.332 -6.528 -12.360 1.00 0.00 C ATOM 1008 CG LYS A 66 6.862 -7.457 -13.455 1.00 0.00 C ATOM 1009 CD LYS A 66 8.018 -6.775 -14.188 1.00 0.00 C ATOM 1010 CE LYS A 66 7.523 -6.238 -15.533 1.00 0.00 C ATOM 1011 NZ LYS A 66 7.543 -7.335 -16.542 1.00 0.00 N ATOM 0 H LYS A 66 3.984 -6.020 -10.910 1.00 0.00 H new ATOM 0 HA LYS A 66 5.680 -8.414 -11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.655 -5.790 -12.790 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.155 -5.977 -11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.199 -8.397 -13.018 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.065 -7.700 -14.158 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.416 -5.960 -13.583 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.832 -7.483 -14.344 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.513 -5.843 -15.430 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.155 -5.414 -15.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.207 -6.972 -17.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.514 -7.692 -16.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.922 -8.108 -16.227 1.00 0.00 H new ATOM 1025 N ASP A 67 7.325 -7.780 -9.646 1.00 0.00 N ATOM 1026 CA ASP A 67 7.993 -7.594 -8.326 1.00 0.00 C ATOM 1027 C ASP A 67 8.413 -6.131 -8.161 1.00 0.00 C ATOM 1028 O ASP A 67 9.407 -5.696 -8.707 1.00 0.00 O ATOM 1029 CB ASP A 67 9.230 -8.491 -8.252 1.00 0.00 C ATOM 1030 CG ASP A 67 9.936 -8.501 -9.609 1.00 0.00 C ATOM 1031 OD1 ASP A 67 9.650 -7.626 -10.410 1.00 0.00 O ATOM 1032 OD2 ASP A 67 10.751 -9.384 -9.825 1.00 0.00 O ATOM 0 H ASP A 67 7.778 -8.447 -10.271 1.00 0.00 H new ATOM 0 HA ASP A 67 7.299 -7.861 -7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.909 -8.129 -7.480 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.941 -9.504 -7.973 1.00 0.00 H new ATOM 1037 N LEU A 68 7.665 -5.371 -7.406 1.00 0.00 N ATOM 1038 CA LEU A 68 8.016 -3.940 -7.195 1.00 0.00 C ATOM 1039 C LEU A 68 7.725 -3.144 -8.468 1.00 0.00 C ATOM 1040 O LEU A 68 8.624 -2.686 -9.145 1.00 0.00 O ATOM 1041 CB LEU A 68 9.500 -3.822 -6.840 1.00 0.00 C ATOM 1042 CG LEU A 68 9.855 -4.863 -5.778 1.00 0.00 C ATOM 1043 CD1 LEU A 68 11.344 -4.771 -5.447 1.00 0.00 C ATOM 1044 CD2 LEU A 68 9.035 -4.596 -4.512 1.00 0.00 C ATOM 0 H LEU A 68 6.822 -5.684 -6.925 1.00 0.00 H new ATOM 0 HA LEU A 68 7.417 -3.539 -6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.111 -3.972 -7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.718 -2.820 -6.470 1.00 0.00 H new ATOM 0 HG LEU A 68 9.630 -5.860 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.595 -5.514 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.929 -4.959 -6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.571 -3.775 -5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.286 -5.337 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.262 -3.599 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.972 -4.662 -4.746 1.00 0.00 H new ATOM 1056 N CYS A 69 6.475 -2.976 -8.798 1.00 0.00 N ATOM 1057 CA CYS A 69 6.123 -2.209 -10.027 1.00 0.00 C ATOM 1058 C CYS A 69 5.897 -0.740 -9.663 1.00 0.00 C ATOM 1059 O CYS A 69 6.080 0.146 -10.475 1.00 0.00 O ATOM 1060 CB CYS A 69 4.844 -2.786 -10.636 1.00 0.00 C ATOM 1061 SG CYS A 69 5.031 -2.916 -12.432 1.00 0.00 S ATOM 0 H CYS A 69 5.681 -3.337 -8.270 1.00 0.00 H new ATOM 0 HA CYS A 69 6.936 -2.283 -10.749 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.637 -3.768 -10.210 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.994 -2.148 -10.394 1.00 0.00 H new ATOM 1066 N ASN A 70 5.501 -0.472 -8.448 1.00 0.00 N ATOM 1067 CA ASN A 70 5.265 0.939 -8.033 1.00 0.00 C ATOM 1068 C ASN A 70 6.570 1.543 -7.510 1.00 0.00 C ATOM 1069 O ASN A 70 6.830 1.550 -6.325 1.00 0.00 O ATOM 1070 CB ASN A 70 4.208 0.977 -6.926 1.00 0.00 C ATOM 1071 CG ASN A 70 4.053 2.411 -6.415 1.00 0.00 C ATOM 1072 OD1 ASN A 70 4.762 3.300 -6.842 1.00 0.00 O ATOM 1073 ND2 ASN A 70 3.148 2.676 -5.513 1.00 0.00 N ATOM 0 H ASN A 70 5.331 -1.171 -7.725 1.00 0.00 H new ATOM 0 HA ASN A 70 4.915 1.514 -8.890 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.255 0.611 -7.307 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.499 0.318 -6.108 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.036 3.629 -5.167 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.552 1.930 -5.154 1.00 0.00 H new ATOM 1080 N PHE A 71 7.394 2.049 -8.386 1.00 0.00 N ATOM 1081 CA PHE A 71 8.680 2.651 -7.937 1.00 0.00 C ATOM 1082 C PHE A 71 8.870 4.010 -8.614 1.00 0.00 C ATOM 1083 O PHE A 71 9.962 4.375 -9.001 1.00 0.00 O ATOM 1084 CB PHE A 71 9.839 1.725 -8.318 1.00 0.00 C ATOM 1085 CG PHE A 71 9.780 1.428 -9.798 1.00 0.00 C ATOM 1086 CD1 PHE A 71 8.798 0.565 -10.300 1.00 0.00 C ATOM 1087 CD2 PHE A 71 10.709 2.013 -10.667 1.00 0.00 C ATOM 1088 CE1 PHE A 71 8.744 0.290 -11.671 1.00 0.00 C ATOM 1089 CE2 PHE A 71 10.655 1.738 -12.038 1.00 0.00 C ATOM 1090 CZ PHE A 71 9.672 0.876 -12.540 1.00 0.00 C ATOM 0 H PHE A 71 7.232 2.071 -9.393 1.00 0.00 H new ATOM 0 HA PHE A 71 8.661 2.782 -6.855 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.791 2.194 -8.068 1.00 0.00 H new ATOM 0 HB3 PHE A 71 9.781 0.798 -7.747 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.083 0.112 -9.629 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.468 2.677 -10.279 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.986 -0.375 -12.059 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.371 2.190 -12.708 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.630 0.663 -13.598 1.00 0.00 H new ATOM 1100 N ASN A 72 7.813 4.761 -8.762 1.00 0.00 N ATOM 1101 CA ASN A 72 7.930 6.094 -9.416 1.00 0.00 C ATOM 1102 C ASN A 72 8.534 5.922 -10.811 1.00 0.00 C ATOM 1103 O ASN A 72 9.569 6.477 -11.123 1.00 0.00 O ATOM 1104 CB ASN A 72 8.834 6.998 -8.576 1.00 0.00 C ATOM 1105 CG ASN A 72 8.195 7.226 -7.205 1.00 0.00 C ATOM 1106 OD1 ASN A 72 7.537 8.224 -6.988 1.00 0.00 O ATOM 1107 ND2 ASN A 72 8.359 6.336 -6.265 1.00 0.00 N ATOM 0 H ASN A 72 6.873 4.508 -8.458 1.00 0.00 H new ATOM 0 HA ASN A 72 6.942 6.547 -9.499 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.817 6.541 -8.460 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.984 7.952 -9.082 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.935 6.478 -5.348 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.911 5.498 -6.447 1.00 0.00 H new ATOM 1114 N GLU A 73 7.898 5.154 -11.653 1.00 0.00 N ATOM 1115 CA GLU A 73 8.438 4.947 -13.026 1.00 0.00 C ATOM 1116 C GLU A 73 7.550 3.956 -13.780 1.00 0.00 C ATOM 1117 O GLU A 73 8.027 3.121 -14.524 1.00 0.00 O ATOM 1118 CB GLU A 73 9.861 4.390 -12.933 1.00 0.00 C ATOM 1119 CG GLU A 73 10.851 5.433 -13.455 1.00 0.00 C ATOM 1120 CD GLU A 73 11.798 4.780 -14.464 1.00 0.00 C ATOM 1121 OE1 GLU A 73 11.417 4.670 -15.617 1.00 0.00 O ATOM 1122 OE2 GLU A 73 12.888 4.403 -14.066 1.00 0.00 O ATOM 0 H GLU A 73 7.028 4.661 -11.449 1.00 0.00 H new ATOM 0 HA GLU A 73 8.453 5.898 -13.559 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.096 4.134 -11.900 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.943 3.472 -13.515 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.313 6.256 -13.925 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.420 5.856 -12.627 1.00 0.00 H new ATOM 1129 N GLN A 74 6.263 4.042 -13.595 1.00 0.00 N ATOM 1130 CA GLN A 74 5.346 3.105 -14.304 1.00 0.00 C ATOM 1131 C GLN A 74 4.038 3.827 -14.632 1.00 0.00 C ATOM 1132 O GLN A 74 3.032 3.208 -14.917 1.00 0.00 O ATOM 1133 CB GLN A 74 5.051 1.903 -13.405 1.00 0.00 C ATOM 1134 CG GLN A 74 4.591 0.723 -14.263 1.00 0.00 C ATOM 1135 CD GLN A 74 5.808 -0.087 -14.714 1.00 0.00 C ATOM 1136 OE1 GLN A 74 6.918 0.183 -14.300 1.00 0.00 O ATOM 1137 NE2 GLN A 74 5.647 -1.075 -15.551 1.00 0.00 N ATOM 0 H GLN A 74 5.806 4.719 -12.985 1.00 0.00 H new ATOM 0 HA GLN A 74 5.816 2.763 -15.226 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.943 1.630 -12.841 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.280 2.160 -12.678 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.910 0.090 -13.694 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.040 1.084 -15.131 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.715 -1.302 -15.899 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.453 -1.620 -15.857 1.00 0.00 H new ATOM 1146 N LEU A 75 4.042 5.130 -14.595 1.00 0.00 N ATOM 1147 CA LEU A 75 2.798 5.889 -14.904 1.00 0.00 C ATOM 1148 C LEU A 75 3.109 7.002 -15.905 1.00 0.00 C ATOM 1149 O LEU A 75 2.415 7.177 -16.888 1.00 0.00 O ATOM 1150 CB LEU A 75 2.243 6.502 -13.618 1.00 0.00 C ATOM 1151 CG LEU A 75 0.785 6.076 -13.436 1.00 0.00 C ATOM 1152 CD1 LEU A 75 0.408 6.166 -11.956 1.00 0.00 C ATOM 1153 CD2 LEU A 75 -0.121 7.001 -14.250 1.00 0.00 C ATOM 0 H LEU A 75 4.854 5.703 -14.364 1.00 0.00 H new ATOM 0 HA LEU A 75 2.060 5.212 -15.334 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.837 6.179 -12.763 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.312 7.589 -13.661 1.00 0.00 H new ATOM 0 HG LEU A 75 0.661 5.049 -13.781 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.631 5.863 -11.826 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.054 5.507 -11.375 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.532 7.192 -11.611 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.160 6.698 -14.121 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.003 8.028 -13.905 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.147 6.937 -15.305 1.00 0.00 H new