USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 420 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 Single : A 11 GLN : amide:sc= -0.0455 K(o=-0.046,f=-1.3) USER MOD Single : A 14 THR OG1 : rot 170:sc= -1.15 USER MOD Single : A 17 ASN : amide:sc= -0.297 K(o=-0.3,f=-1.9!) USER MOD Single : A 18 ASN : amide:sc=-0.00204 X(o=-0.002,f=-0.061) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0232 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc=-0.00807 (180deg=-0.178) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 75:sc= 0.2 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 91:sc= 0.0687 USER MOD Single : A 62 LYS NZ :NH3+ 137:sc= 0.0433 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -11.136 -11.876 -5.591 1.00 0.00 N ATOM 2 CA GLN A 11 -10.003 -12.569 -4.922 1.00 0.00 C ATOM 3 C GLN A 11 -9.914 -12.183 -3.449 1.00 0.00 C ATOM 4 O GLN A 11 -10.257 -11.062 -3.070 1.00 0.00 O ATOM 5 CB GLN A 11 -8.708 -12.195 -5.645 1.00 0.00 C ATOM 6 CG GLN A 11 -7.490 -12.948 -5.137 1.00 0.00 C ATOM 7 CD GLN A 11 -6.198 -12.190 -5.373 1.00 0.00 C ATOM 8 OE1 GLN A 11 -6.179 -11.168 -6.059 1.00 0.00 O ATOM 9 NE2 GLN A 11 -5.107 -12.692 -4.804 1.00 0.00 N ATOM 0 HA GLN A 11 -10.163 -13.646 -4.970 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.827 -12.390 -6.711 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.536 -11.124 -5.534 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.605 -13.140 -4.070 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.434 -13.918 -5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.169 -13.542 -4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.207 -12.227 -4.928 1.00 0.00 H new ATOM 18 N ALA A 12 -9.452 -13.116 -2.624 1.00 0.00 N ATOM 19 CA ALA A 12 -9.317 -12.872 -1.195 1.00 0.00 C ATOM 20 C ALA A 12 -8.071 -12.047 -0.896 1.00 0.00 C ATOM 21 O ALA A 12 -6.969 -12.385 -1.331 1.00 0.00 O ATOM 22 CB ALA A 12 -9.276 -14.190 -0.436 1.00 0.00 C ATOM 0 H ALA A 12 -9.165 -14.048 -2.922 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.186 -12.303 -0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.175 -13.992 0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.198 -14.743 -0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.426 -14.780 -0.778 1.00 0.00 H new ATOM 28 N CYS A 13 -8.255 -10.961 -0.155 1.00 0.00 N ATOM 29 CA CYS A 13 -7.151 -10.080 0.201 1.00 0.00 C ATOM 30 C CYS A 13 -7.084 -9.880 1.714 1.00 0.00 C ATOM 31 O CYS A 13 -8.090 -10.003 2.414 1.00 0.00 O ATOM 32 CB CYS A 13 -7.307 -8.732 -0.517 1.00 0.00 C ATOM 33 SG CYS A 13 -6.408 -7.339 0.244 1.00 0.00 S ATOM 0 H CYS A 13 -9.161 -10.669 0.212 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.217 -10.543 -0.118 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.966 -8.845 -1.546 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.367 -8.481 -0.558 1.00 0.00 H new ATOM 38 N THR A 14 -5.890 -9.567 2.210 1.00 0.00 N ATOM 39 CA THR A 14 -5.689 -9.348 3.636 1.00 0.00 C ATOM 40 C THR A 14 -5.732 -7.860 3.970 1.00 0.00 C ATOM 41 O THR A 14 -4.882 -7.089 3.526 1.00 0.00 O ATOM 42 CB THR A 14 -4.349 -9.941 4.077 1.00 0.00 C ATOM 43 OG1 THR A 14 -4.105 -9.667 5.445 1.00 0.00 O ATOM 44 CG2 THR A 14 -3.171 -9.416 3.285 1.00 0.00 C ATOM 0 H THR A 14 -5.048 -9.460 1.644 1.00 0.00 H new ATOM 0 HA THR A 14 -6.496 -9.846 4.173 1.00 0.00 H new ATOM 0 HB THR A 14 -4.436 -11.013 3.899 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.331 -10.185 5.749 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.253 -9.877 3.649 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.305 -9.657 2.231 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.106 -8.334 3.404 1.00 0.00 H new ATOM 52 N LEU A 15 -6.728 -7.467 4.756 1.00 0.00 N ATOM 53 CA LEU A 15 -6.886 -6.070 5.154 1.00 0.00 C ATOM 54 C LEU A 15 -5.650 -5.580 5.906 1.00 0.00 C ATOM 55 O LEU A 15 -4.856 -6.380 6.398 1.00 0.00 O ATOM 56 CB LEU A 15 -8.131 -5.906 6.032 1.00 0.00 C ATOM 57 CG LEU A 15 -8.387 -7.046 7.021 1.00 0.00 C ATOM 58 CD1 LEU A 15 -8.823 -6.496 8.371 1.00 0.00 C ATOM 59 CD2 LEU A 15 -9.434 -8.004 6.471 1.00 0.00 C ATOM 0 H LEU A 15 -7.439 -8.095 5.131 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.005 -5.469 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.041 -4.975 6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.002 -5.806 5.384 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.456 -7.596 7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.000 -7.322 9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.041 -5.851 8.771 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.741 -5.921 8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.603 -8.808 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.367 -7.466 6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.083 -8.425 5.529 1.00 0.00 H new ATOM 71 N PRO A 16 -5.472 -4.250 6.007 1.00 0.00 N ATOM 72 CA PRO A 16 -4.329 -3.657 6.707 1.00 0.00 C ATOM 73 C PRO A 16 -4.141 -4.239 8.104 1.00 0.00 C ATOM 74 O PRO A 16 -3.033 -4.243 8.640 1.00 0.00 O ATOM 75 CB PRO A 16 -4.675 -2.161 6.786 1.00 0.00 C ATOM 76 CG PRO A 16 -6.105 -2.054 6.365 1.00 0.00 C ATOM 77 CD PRO A 16 -6.362 -3.221 5.457 1.00 0.00 C ATOM 0 HA PRO A 16 -3.392 -3.855 6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.535 -1.780 7.797 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.029 -1.575 6.132 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.768 -2.080 7.230 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.290 -1.112 5.850 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.406 -3.532 5.481 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.122 -2.989 4.419 1.00 0.00 H new ATOM 85 N ASN A 17 -5.229 -4.733 8.687 1.00 0.00 N ATOM 86 CA ASN A 17 -5.182 -5.321 10.021 1.00 0.00 C ATOM 87 C ASN A 17 -4.743 -6.783 9.961 1.00 0.00 C ATOM 88 O ASN A 17 -4.331 -7.359 10.967 1.00 0.00 O ATOM 89 CB ASN A 17 -6.549 -5.211 10.699 1.00 0.00 C ATOM 90 CG ASN A 17 -6.452 -4.658 12.107 1.00 0.00 C ATOM 91 OD1 ASN A 17 -5.515 -3.931 12.438 1.00 0.00 O ATOM 92 ND2 ASN A 17 -7.424 -4.999 12.946 1.00 0.00 N ATOM 0 H ASN A 17 -6.154 -4.738 8.257 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.449 -4.767 10.608 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.197 -4.568 10.103 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.017 -6.195 10.729 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.412 -4.656 13.906 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.182 -5.604 12.630 1.00 0.00 H new ATOM 99 N ASN A 18 -4.832 -7.381 8.773 1.00 0.00 N ATOM 100 CA ASN A 18 -4.445 -8.776 8.582 1.00 0.00 C ATOM 101 C ASN A 18 -5.426 -9.716 9.275 1.00 0.00 C ATOM 102 O ASN A 18 -5.211 -10.123 10.416 1.00 0.00 O ATOM 103 CB ASN A 18 -3.028 -9.018 9.112 1.00 0.00 C ATOM 104 CG ASN A 18 -2.414 -10.290 8.558 1.00 0.00 C ATOM 105 OD1 ASN A 18 -1.670 -10.258 7.579 1.00 0.00 O ATOM 106 ND2 ASN A 18 -2.725 -11.418 9.186 1.00 0.00 N ATOM 0 H ASN A 18 -5.169 -6.919 7.928 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.464 -8.984 7.512 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.396 -8.169 8.852 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.054 -9.074 10.200 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.342 -12.305 8.860 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.347 -11.397 9.994 1.00 0.00 H new ATOM 113 N ASP A 19 -6.501 -10.057 8.574 1.00 0.00 N ATOM 114 CA ASP A 19 -7.517 -10.951 9.115 1.00 0.00 C ATOM 115 C ASP A 19 -8.339 -11.584 7.996 1.00 0.00 C ATOM 116 O ASP A 19 -9.504 -11.929 8.189 1.00 0.00 O ATOM 117 CB ASP A 19 -8.437 -10.192 10.073 1.00 0.00 C ATOM 118 CG ASP A 19 -7.939 -10.226 11.504 1.00 0.00 C ATOM 119 OD1 ASP A 19 -7.479 -11.299 11.948 1.00 0.00 O ATOM 120 OD2 ASP A 19 -8.007 -9.179 12.183 1.00 0.00 O ATOM 0 H ASP A 19 -6.691 -9.727 7.628 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.010 -11.746 9.662 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.522 -9.156 9.746 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.437 -10.623 10.029 1.00 0.00 H new ATOM 125 N LYS A 20 -7.723 -11.733 6.826 1.00 0.00 N ATOM 126 CA LYS A 20 -8.399 -12.323 5.675 1.00 0.00 C ATOM 127 C LYS A 20 -9.582 -11.465 5.241 1.00 0.00 C ATOM 128 O LYS A 20 -10.287 -10.896 6.074 1.00 0.00 O ATOM 129 CB LYS A 20 -8.876 -13.740 6.006 1.00 0.00 C ATOM 130 CG LYS A 20 -7.811 -14.604 6.662 1.00 0.00 C ATOM 131 CD LYS A 20 -8.407 -15.504 7.735 1.00 0.00 C ATOM 132 CE LYS A 20 -7.325 -16.212 8.533 1.00 0.00 C ATOM 133 NZ LYS A 20 -7.162 -17.630 8.115 1.00 0.00 N ATOM 0 H LYS A 20 -6.758 -11.453 6.651 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.686 -12.371 4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.740 -13.678 6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.211 -14.225 5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.319 -15.215 5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.045 -13.967 7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.026 -14.910 8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.060 -16.243 7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.379 -15.686 8.407 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.573 -16.173 9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.414 -18.076 8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.057 -18.139 8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.900 -17.668 7.109 1.00 0.00 H new ATOM 147 N GLY A 21 -9.793 -11.371 3.931 1.00 0.00 N ATOM 148 CA GLY A 21 -10.894 -10.577 3.417 1.00 0.00 C ATOM 149 C GLY A 21 -11.105 -10.759 1.927 1.00 0.00 C ATOM 150 O GLY A 21 -10.842 -11.830 1.380 1.00 0.00 O ATOM 0 H GLY A 21 -9.223 -11.829 3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.809 -10.848 3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.705 -9.524 3.627 1.00 0.00 H new ATOM 154 N THR A 22 -11.588 -9.710 1.274 1.00 0.00 N ATOM 155 CA THR A 22 -11.847 -9.746 -0.160 1.00 0.00 C ATOM 156 C THR A 22 -11.231 -8.535 -0.853 1.00 0.00 C ATOM 157 O THR A 22 -11.160 -7.449 -0.277 1.00 0.00 O ATOM 158 CB THR A 22 -13.350 -9.794 -0.430 1.00 0.00 C ATOM 159 OG1 THR A 22 -14.031 -10.433 0.636 1.00 0.00 O ATOM 160 CG2 THR A 22 -13.707 -10.524 -1.706 1.00 0.00 C ATOM 0 H THR A 22 -11.810 -8.819 1.718 1.00 0.00 H new ATOM 0 HA THR A 22 -11.386 -10.648 -0.564 1.00 0.00 H new ATOM 0 HB THR A 22 -13.658 -8.753 -0.529 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.992 -10.452 0.445 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.789 -10.521 -1.836 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.238 -10.025 -2.554 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.352 -11.553 -1.648 1.00 0.00 H new ATOM 168 N CYS A 23 -10.781 -8.726 -2.090 1.00 0.00 N ATOM 169 CA CYS A 23 -10.166 -7.648 -2.853 1.00 0.00 C ATOM 170 C CYS A 23 -10.970 -7.353 -4.118 1.00 0.00 C ATOM 171 O CYS A 23 -11.172 -8.229 -4.958 1.00 0.00 O ATOM 172 CB CYS A 23 -8.714 -8.017 -3.198 1.00 0.00 C ATOM 173 SG CYS A 23 -8.194 -7.658 -4.912 1.00 0.00 S ATOM 0 H CYS A 23 -10.831 -9.617 -2.584 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.161 -6.743 -2.245 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.051 -7.484 -2.517 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.574 -9.082 -3.010 1.00 0.00 H new ATOM 178 N LYS A 24 -11.422 -6.109 -4.240 1.00 0.00 N ATOM 179 CA LYS A 24 -12.200 -5.684 -5.397 1.00 0.00 C ATOM 180 C LYS A 24 -11.884 -4.236 -5.754 1.00 0.00 C ATOM 181 O LYS A 24 -11.231 -3.528 -4.988 1.00 0.00 O ATOM 182 CB LYS A 24 -13.697 -5.838 -5.117 1.00 0.00 C ATOM 183 CG LYS A 24 -14.178 -5.024 -3.928 1.00 0.00 C ATOM 184 CD LYS A 24 -15.630 -5.331 -3.595 1.00 0.00 C ATOM 185 CE LYS A 24 -15.744 -6.292 -2.423 1.00 0.00 C ATOM 186 NZ LYS A 24 -17.161 -6.630 -2.116 1.00 0.00 N ATOM 0 H LYS A 24 -11.262 -5.376 -3.549 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.931 -6.318 -6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.257 -5.538 -6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.919 -6.890 -4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.552 -5.238 -3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.070 -3.961 -4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.153 -4.405 -3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.121 -5.761 -4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.194 -7.206 -2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.278 -5.848 -1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.194 -7.287 -1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.681 -5.762 -1.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.599 -7.077 -2.947 1.00 0.00 H new ATOM 200 N SER A 25 -12.353 -3.799 -6.917 1.00 0.00 N ATOM 201 CA SER A 25 -12.121 -2.432 -7.365 1.00 0.00 C ATOM 202 C SER A 25 -12.801 -1.437 -6.429 1.00 0.00 C ATOM 203 O SER A 25 -13.386 -1.824 -5.418 1.00 0.00 O ATOM 204 CB SER A 25 -12.635 -2.245 -8.793 1.00 0.00 C ATOM 205 OG SER A 25 -12.274 -0.972 -9.302 1.00 0.00 O ATOM 0 H SER A 25 -12.895 -4.370 -7.565 1.00 0.00 H new ATOM 0 HA SER A 25 -11.047 -2.245 -7.350 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.227 -3.026 -9.435 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.720 -2.353 -8.810 1.00 0.00 H new ATOM 0 HG SER A 25 -12.613 -0.877 -10.217 1.00 0.00 H new ATOM 211 N LEU A 26 -12.721 -0.157 -6.773 1.00 0.00 N ATOM 212 CA LEU A 26 -13.332 0.891 -5.960 1.00 0.00 C ATOM 213 C LEU A 26 -14.734 1.232 -6.462 1.00 0.00 C ATOM 214 O LEU A 26 -15.217 2.347 -6.267 1.00 0.00 O ATOM 215 CB LEU A 26 -12.455 2.146 -5.967 1.00 0.00 C ATOM 216 CG LEU A 26 -12.236 2.780 -7.342 1.00 0.00 C ATOM 217 CD1 LEU A 26 -13.352 3.760 -7.664 1.00 0.00 C ATOM 218 CD2 LEU A 26 -10.883 3.473 -7.396 1.00 0.00 C ATOM 0 H LEU A 26 -12.241 0.181 -7.607 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.416 0.518 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.907 2.889 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.483 1.893 -5.542 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.250 1.990 -8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -13.178 4.200 -8.646 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -14.308 3.236 -7.666 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -13.372 4.548 -6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.742 3.919 -8.380 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.843 4.252 -6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.093 2.745 -7.211 1.00 0.00 H new ATOM 230 N LEU A 27 -15.384 0.266 -7.105 1.00 0.00 N ATOM 231 CA LEU A 27 -16.730 0.469 -7.629 1.00 0.00 C ATOM 232 C LEU A 27 -17.672 -0.631 -7.149 1.00 0.00 C ATOM 233 O LEU A 27 -18.596 -1.024 -7.861 1.00 0.00 O ATOM 234 CB LEU A 27 -16.708 0.504 -9.157 1.00 0.00 C ATOM 235 CG LEU A 27 -15.890 1.644 -9.768 1.00 0.00 C ATOM 236 CD1 LEU A 27 -15.654 1.396 -11.249 1.00 0.00 C ATOM 237 CD2 LEU A 27 -16.592 2.976 -9.554 1.00 0.00 C ATOM 0 H LEU A 27 -15.001 -0.664 -7.275 1.00 0.00 H new ATOM 0 HA LEU A 27 -17.096 1.426 -7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.311 -0.443 -9.521 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.734 0.579 -9.518 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.922 1.681 -9.268 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.071 2.217 -11.667 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.109 0.461 -11.379 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.612 1.333 -11.765 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.997 3.776 -9.995 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.573 2.950 -10.028 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.710 3.158 -8.486 1.00 0.00 H new ATOM 249 N GLN A 28 -17.428 -1.126 -5.940 1.00 0.00 N ATOM 250 CA GLN A 28 -18.253 -2.182 -5.367 1.00 0.00 C ATOM 251 C GLN A 28 -18.217 -2.136 -3.843 1.00 0.00 C ATOM 252 O GLN A 28 -19.249 -2.261 -3.183 1.00 0.00 O ATOM 253 CB GLN A 28 -17.779 -3.551 -5.859 1.00 0.00 C ATOM 254 CG GLN A 28 -18.193 -3.861 -7.289 1.00 0.00 C ATOM 255 CD GLN A 28 -18.056 -5.331 -7.628 1.00 0.00 C ATOM 256 OE1 GLN A 28 -17.105 -5.992 -7.212 1.00 0.00 O ATOM 257 NE2 GLN A 28 -19.010 -5.854 -8.390 1.00 0.00 N ATOM 0 H GLN A 28 -16.666 -0.813 -5.339 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.281 -2.022 -5.692 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.692 -3.598 -5.786 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -18.176 -4.322 -5.199 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -19.227 -3.552 -7.439 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -17.582 -3.275 -7.976 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -19.781 -5.270 -8.714 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -18.971 -6.839 -8.651 1.00 0.00 H new ATOM 266 N CYS A 29 -17.021 -1.955 -3.290 1.00 0.00 N ATOM 267 CA CYS A 29 -16.846 -1.892 -1.843 1.00 0.00 C ATOM 268 C CYS A 29 -17.774 -0.850 -1.223 1.00 0.00 C ATOM 269 O CYS A 29 -17.765 0.316 -1.615 1.00 0.00 O ATOM 270 CB CYS A 29 -15.392 -1.563 -1.501 1.00 0.00 C ATOM 271 SG CYS A 29 -14.337 -3.026 -1.246 1.00 0.00 S ATOM 0 H CYS A 29 -16.158 -1.849 -3.823 1.00 0.00 H new ATOM 0 HA CYS A 29 -17.101 -2.868 -1.429 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -14.969 -0.959 -2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -15.372 -0.952 -0.598 1.00 0.00 H new ATOM 276 N ASP A 30 -18.574 -1.281 -0.252 1.00 0.00 N ATOM 277 CA ASP A 30 -19.506 -0.386 0.423 1.00 0.00 C ATOM 278 C ASP A 30 -18.761 0.683 1.213 1.00 0.00 C ATOM 279 O ASP A 30 -19.202 1.831 1.293 1.00 0.00 O ATOM 280 CB ASP A 30 -20.423 -1.180 1.357 1.00 0.00 C ATOM 281 CG ASP A 30 -21.707 -1.610 0.677 1.00 0.00 C ATOM 282 OD1 ASP A 30 -22.138 -0.919 -0.270 1.00 0.00 O ATOM 283 OD2 ASP A 30 -22.285 -2.637 1.094 1.00 0.00 O ATOM 0 H ASP A 30 -18.595 -2.244 0.084 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.111 0.107 -0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -19.894 -2.062 1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.663 -0.572 2.229 1.00 0.00 H new ATOM 288 N VAL A 31 -17.628 0.302 1.793 1.00 0.00 N ATOM 289 CA VAL A 31 -16.820 1.228 2.575 1.00 0.00 C ATOM 290 C VAL A 31 -16.195 2.293 1.684 1.00 0.00 C ATOM 291 O VAL A 31 -16.108 3.461 2.059 1.00 0.00 O ATOM 292 CB VAL A 31 -15.701 0.495 3.342 1.00 0.00 C ATOM 293 CG1 VAL A 31 -14.968 1.453 4.266 1.00 0.00 C ATOM 294 CG2 VAL A 31 -16.271 -0.681 4.124 1.00 0.00 C ATOM 0 H VAL A 31 -17.249 -0.643 1.736 1.00 0.00 H new ATOM 0 HA VAL A 31 -17.489 1.702 3.294 1.00 0.00 H new ATOM 0 HB VAL A 31 -14.984 0.108 2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -14.183 0.916 4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.524 2.257 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -15.671 1.874 4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -15.467 -1.186 4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -17.010 -0.319 4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.744 -1.381 3.435 1.00 0.00 H new ATOM 304 N ALA A 32 -15.762 1.883 0.501 1.00 0.00 N ATOM 305 CA ALA A 32 -15.148 2.803 -0.447 1.00 0.00 C ATOM 306 C ALA A 32 -16.154 3.846 -0.919 1.00 0.00 C ATOM 307 O ALA A 32 -15.808 5.007 -1.128 1.00 0.00 O ATOM 308 CB ALA A 32 -14.579 2.038 -1.632 1.00 0.00 C ATOM 0 H ALA A 32 -15.824 0.919 0.174 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.333 3.322 0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.123 2.738 -2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.825 1.333 -1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.380 1.494 -2.132 1.00 0.00 H new ATOM 314 N SER A 33 -17.400 3.419 -1.088 1.00 0.00 N ATOM 315 CA SER A 33 -18.461 4.312 -1.542 1.00 0.00 C ATOM 316 C SER A 33 -18.772 5.383 -0.500 1.00 0.00 C ATOM 317 O SER A 33 -19.032 6.535 -0.844 1.00 0.00 O ATOM 318 CB SER A 33 -19.726 3.512 -1.857 1.00 0.00 C ATOM 319 OG SER A 33 -19.589 2.800 -3.075 1.00 0.00 O ATOM 0 H SER A 33 -17.701 2.459 -0.918 1.00 0.00 H new ATOM 0 HA SER A 33 -18.112 4.810 -2.447 1.00 0.00 H new ATOM 0 HB2 SER A 33 -19.930 2.814 -1.045 1.00 0.00 H new ATOM 0 HB3 SER A 33 -20.580 4.186 -1.920 1.00 0.00 H new ATOM 0 HG SER A 33 -20.410 2.295 -3.253 1.00 0.00 H new ATOM 325 N LYS A 34 -18.746 4.998 0.771 1.00 0.00 N ATOM 326 CA LYS A 34 -19.033 5.936 1.853 1.00 0.00 C ATOM 327 C LYS A 34 -17.937 6.992 1.966 1.00 0.00 C ATOM 328 O LYS A 34 -18.201 8.135 2.338 1.00 0.00 O ATOM 329 CB LYS A 34 -19.201 5.193 3.185 1.00 0.00 C ATOM 330 CG LYS A 34 -17.913 4.606 3.743 1.00 0.00 C ATOM 331 CD LYS A 34 -17.892 4.653 5.263 1.00 0.00 C ATOM 332 CE LYS A 34 -17.396 3.343 5.856 1.00 0.00 C ATOM 333 NZ LYS A 34 -18.508 2.538 6.430 1.00 0.00 N ATOM 0 H LYS A 34 -18.531 4.049 1.078 1.00 0.00 H new ATOM 0 HA LYS A 34 -19.970 6.442 1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.621 5.880 3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -19.924 4.389 3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.807 3.574 3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.060 5.158 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.250 5.469 5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.894 4.865 5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.889 2.764 5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.660 3.552 6.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.129 1.653 6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.976 3.080 7.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.198 2.317 5.684 1.00 0.00 H new ATOM 347 N ILE A 35 -16.707 6.606 1.640 1.00 0.00 N ATOM 348 CA ILE A 35 -15.577 7.526 1.701 1.00 0.00 C ATOM 349 C ILE A 35 -15.663 8.569 0.594 1.00 0.00 C ATOM 350 O ILE A 35 -15.361 9.744 0.807 1.00 0.00 O ATOM 351 CB ILE A 35 -14.233 6.780 1.591 1.00 0.00 C ATOM 352 CG1 ILE A 35 -14.163 5.654 2.625 1.00 0.00 C ATOM 353 CG2 ILE A 35 -13.069 7.745 1.773 1.00 0.00 C ATOM 354 CD1 ILE A 35 -13.349 4.463 2.166 1.00 0.00 C ATOM 0 H ILE A 35 -16.468 5.664 1.331 1.00 0.00 H new ATOM 0 HA ILE A 35 -15.624 8.022 2.670 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.162 6.341 0.596 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.733 6.044 3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.175 5.324 2.860 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -12.129 7.200 1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.110 8.514 1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.134 8.212 2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.342 3.704 2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.791 4.047 1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.327 4.779 1.958 1.00 0.00 H new ATOM 366 N ILE A 36 -16.080 8.131 -0.589 1.00 0.00 N ATOM 367 CA ILE A 36 -16.210 9.023 -1.734 1.00 0.00 C ATOM 368 C ILE A 36 -17.364 10.001 -1.534 1.00 0.00 C ATOM 369 O ILE A 36 -17.328 11.130 -2.021 1.00 0.00 O ATOM 370 CB ILE A 36 -16.433 8.231 -3.039 1.00 0.00 C ATOM 371 CG1 ILE A 36 -15.292 7.232 -3.252 1.00 0.00 C ATOM 372 CG2 ILE A 36 -16.553 9.176 -4.228 1.00 0.00 C ATOM 373 CD1 ILE A 36 -13.983 7.879 -3.656 1.00 0.00 C ATOM 0 H ILE A 36 -16.334 7.162 -0.780 1.00 0.00 H new ATOM 0 HA ILE A 36 -15.277 9.580 -1.816 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.367 7.676 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.139 6.667 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.586 6.517 -4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.710 8.597 -5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -17.398 9.848 -4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -15.637 9.760 -4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -13.223 7.109 -3.789 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -14.119 8.421 -4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.665 8.573 -2.878 1.00 0.00 H new ATOM 385 N SER A 37 -18.386 9.559 -0.809 1.00 0.00 N ATOM 386 CA SER A 37 -19.551 10.395 -0.540 1.00 0.00 C ATOM 387 C SER A 37 -19.282 11.344 0.624 1.00 0.00 C ATOM 388 O SER A 37 -19.880 12.415 0.713 1.00 0.00 O ATOM 389 CB SER A 37 -20.770 9.525 -0.232 1.00 0.00 C ATOM 390 OG SER A 37 -21.910 10.320 0.035 1.00 0.00 O ATOM 0 H SER A 37 -18.432 8.627 -0.397 1.00 0.00 H new ATOM 0 HA SER A 37 -19.754 10.989 -1.431 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.972 8.866 -1.076 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.558 8.888 0.627 1.00 0.00 H new ATOM 0 HG SER A 37 -22.676 9.740 0.227 1.00 0.00 H new ATOM 396 N LYS A 38 -18.379 10.943 1.514 1.00 0.00 N ATOM 397 CA LYS A 38 -18.033 11.759 2.671 1.00 0.00 C ATOM 398 C LYS A 38 -17.307 13.030 2.244 1.00 0.00 C ATOM 399 O LYS A 38 -17.903 14.107 2.182 1.00 0.00 O ATOM 400 CB LYS A 38 -17.162 10.958 3.643 1.00 0.00 C ATOM 401 CG LYS A 38 -17.963 10.201 4.691 1.00 0.00 C ATOM 402 CD LYS A 38 -18.277 11.080 5.893 1.00 0.00 C ATOM 403 CE LYS A 38 -19.591 11.824 5.714 1.00 0.00 C ATOM 404 NZ LYS A 38 -20.551 11.527 6.813 1.00 0.00 N ATOM 0 H LYS A 38 -17.875 10.058 1.455 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.957 12.044 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.557 10.249 3.077 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.472 11.637 4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -18.892 9.840 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.403 9.324 5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.326 10.465 6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.469 11.797 6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.399 12.896 5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -20.037 11.549 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.434 12.053 6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.754 10.507 6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -20.136 11.813 7.723 1.00 0.00 H new ATOM 418 N LYS A 39 -16.020 12.899 1.949 1.00 0.00 N ATOM 419 CA LYS A 39 -15.212 14.039 1.528 1.00 0.00 C ATOM 420 C LYS A 39 -13.876 13.577 0.949 1.00 0.00 C ATOM 421 O LYS A 39 -12.828 13.734 1.579 1.00 0.00 O ATOM 422 CB LYS A 39 -14.977 14.984 2.709 1.00 0.00 C ATOM 423 CG LYS A 39 -15.007 16.454 2.328 1.00 0.00 C ATOM 424 CD LYS A 39 -13.606 17.015 2.152 1.00 0.00 C ATOM 425 CE LYS A 39 -13.492 18.421 2.719 1.00 0.00 C ATOM 426 NZ LYS A 39 -13.584 18.430 4.206 1.00 0.00 N ATOM 0 H LYS A 39 -15.512 12.015 1.993 1.00 0.00 H new ATOM 0 HA LYS A 39 -15.755 14.573 0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.737 14.799 3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.012 14.754 3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.569 16.579 1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.532 17.019 3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.887 16.363 2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.348 17.027 1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.543 18.861 2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.282 19.045 2.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.175 19.313 4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.582 18.365 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.059 17.619 4.591 1.00 0.00 H new ATOM 440 N PRO A 40 -13.893 12.998 -0.263 1.00 0.00 N ATOM 441 CA PRO A 40 -12.682 12.512 -0.926 1.00 0.00 C ATOM 442 C PRO A 40 -11.883 13.637 -1.578 1.00 0.00 C ATOM 443 O PRO A 40 -12.149 14.017 -2.719 1.00 0.00 O ATOM 444 CB PRO A 40 -13.232 11.563 -1.987 1.00 0.00 C ATOM 445 CG PRO A 40 -14.558 12.139 -2.346 1.00 0.00 C ATOM 446 CD PRO A 40 -15.099 12.767 -1.086 1.00 0.00 C ATOM 0 HA PRO A 40 -11.988 12.045 -0.227 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.573 11.511 -2.854 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.331 10.549 -1.600 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.459 12.880 -3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.231 11.366 -2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.624 13.699 -1.297 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.807 12.109 -0.583 1.00 0.00 H new ATOM 454 N ARG A 41 -10.904 14.165 -0.850 1.00 0.00 N ATOM 455 CA ARG A 41 -10.069 15.245 -1.362 1.00 0.00 C ATOM 456 C ARG A 41 -9.001 15.638 -0.344 1.00 0.00 C ATOM 457 O ARG A 41 -9.041 16.728 0.226 1.00 0.00 O ATOM 458 CB ARG A 41 -10.929 16.461 -1.716 1.00 0.00 C ATOM 459 CG ARG A 41 -10.441 17.214 -2.944 1.00 0.00 C ATOM 460 CD ARG A 41 -11.387 18.344 -3.317 1.00 0.00 C ATOM 461 NE ARG A 41 -12.275 17.975 -4.416 1.00 0.00 N ATOM 462 CZ ARG A 41 -13.034 18.844 -5.081 1.00 0.00 C ATOM 463 NH1 ARG A 41 -13.014 20.131 -4.762 1.00 0.00 N ATOM 464 NH2 ARG A 41 -13.813 18.424 -6.067 1.00 0.00 N ATOM 0 H ARG A 41 -10.670 13.863 0.096 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.570 14.889 -2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.955 16.134 -1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.948 17.143 -0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.447 17.618 -2.753 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.349 16.524 -3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.983 18.620 -2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.808 19.223 -3.599 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.316 16.994 -4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.415 20.459 -4.004 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.597 20.793 -5.274 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.831 17.435 -6.317 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.394 19.089 -6.576 1.00 0.00 H new ATOM 478 N THR A 42 -8.047 14.742 -0.122 1.00 0.00 N ATOM 479 CA THR A 42 -6.968 14.992 0.827 1.00 0.00 C ATOM 480 C THR A 42 -5.884 13.925 0.716 1.00 0.00 C ATOM 481 O THR A 42 -6.161 12.783 0.349 1.00 0.00 O ATOM 482 CB THR A 42 -7.515 15.036 2.255 1.00 0.00 C ATOM 483 OG1 THR A 42 -8.660 14.210 2.378 1.00 0.00 O ATOM 484 CG2 THR A 42 -7.901 16.428 2.706 1.00 0.00 C ATOM 0 H THR A 42 -7.998 13.835 -0.586 1.00 0.00 H new ATOM 0 HA THR A 42 -6.525 15.958 0.586 1.00 0.00 H new ATOM 0 HB THR A 42 -6.702 14.681 2.888 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.995 14.250 3.298 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.281 16.387 3.727 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.027 17.078 2.670 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.674 16.823 2.047 1.00 0.00 H new ATOM 492 N ALA A 43 -4.653 14.304 1.037 1.00 0.00 N ATOM 493 CA ALA A 43 -3.526 13.380 0.975 1.00 0.00 C ATOM 494 C ALA A 43 -3.776 12.153 1.846 1.00 0.00 C ATOM 495 O ALA A 43 -3.332 11.050 1.524 1.00 0.00 O ATOM 496 CB ALA A 43 -2.244 14.080 1.402 1.00 0.00 C ATOM 0 H ALA A 43 -4.409 15.246 1.343 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.417 13.046 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.412 13.378 1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.050 14.922 0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.350 14.442 2.424 1.00 0.00 H new ATOM 502 N GLN A 44 -4.489 12.353 2.949 1.00 0.00 N ATOM 503 CA GLN A 44 -4.799 11.264 3.867 1.00 0.00 C ATOM 504 C GLN A 44 -5.594 10.168 3.165 1.00 0.00 C ATOM 505 O GLN A 44 -5.485 8.990 3.504 1.00 0.00 O ATOM 506 CB GLN A 44 -5.586 11.789 5.069 1.00 0.00 C ATOM 507 CG GLN A 44 -4.744 12.603 6.038 1.00 0.00 C ATOM 508 CD GLN A 44 -5.301 12.589 7.448 1.00 0.00 C ATOM 509 OE1 GLN A 44 -5.334 11.548 8.105 1.00 0.00 O ATOM 510 NE2 GLN A 44 -5.742 13.749 7.922 1.00 0.00 N ATOM 0 H GLN A 44 -4.863 13.260 3.229 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.858 10.839 4.215 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.411 12.405 4.712 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.025 10.946 5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.727 12.210 6.049 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.684 13.633 5.685 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.696 14.587 7.343 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.127 13.801 8.865 1.00 0.00 H new ATOM 519 N ASP A 45 -6.396 10.564 2.182 1.00 0.00 N ATOM 520 CA ASP A 45 -7.210 9.616 1.432 1.00 0.00 C ATOM 521 C ASP A 45 -6.337 8.739 0.539 1.00 0.00 C ATOM 522 O ASP A 45 -6.620 7.557 0.347 1.00 0.00 O ATOM 523 CB ASP A 45 -8.246 10.361 0.584 1.00 0.00 C ATOM 524 CG ASP A 45 -9.618 9.721 0.656 1.00 0.00 C ATOM 525 OD1 ASP A 45 -9.873 8.771 -0.114 1.00 0.00 O ATOM 526 OD2 ASP A 45 -10.439 10.169 1.484 1.00 0.00 O ATOM 0 H ASP A 45 -6.499 11.535 1.887 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.729 8.974 2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.312 11.395 0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.913 10.385 -0.454 1.00 0.00 H new ATOM 531 N GLU A 46 -5.278 9.328 -0.004 1.00 0.00 N ATOM 532 CA GLU A 46 -4.365 8.602 -0.879 1.00 0.00 C ATOM 533 C GLU A 46 -3.592 7.541 -0.102 1.00 0.00 C ATOM 534 O GLU A 46 -3.429 6.413 -0.568 1.00 0.00 O ATOM 535 CB GLU A 46 -3.391 9.571 -1.552 1.00 0.00 C ATOM 536 CG GLU A 46 -3.849 10.036 -2.925 1.00 0.00 C ATOM 537 CD GLU A 46 -2.733 10.682 -3.723 1.00 0.00 C ATOM 538 OE1 GLU A 46 -1.608 10.140 -3.716 1.00 0.00 O ATOM 539 OE2 GLU A 46 -2.984 11.729 -4.357 1.00 0.00 O ATOM 0 H GLU A 46 -5.030 10.306 0.146 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.957 8.103 -1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.254 10.441 -0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.418 9.089 -1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.242 9.185 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.667 10.747 -2.810 1.00 0.00 H new ATOM 546 N LYS A 47 -3.121 7.908 1.082 1.00 0.00 N ATOM 547 CA LYS A 47 -2.368 6.982 1.921 1.00 0.00 C ATOM 548 C LYS A 47 -3.270 5.863 2.426 1.00 0.00 C ATOM 549 O LYS A 47 -2.853 4.708 2.518 1.00 0.00 O ATOM 550 CB LYS A 47 -1.734 7.720 3.102 1.00 0.00 C ATOM 551 CG LYS A 47 -2.749 8.325 4.058 1.00 0.00 C ATOM 552 CD LYS A 47 -2.077 8.884 5.303 1.00 0.00 C ATOM 553 CE LYS A 47 -2.799 8.452 6.569 1.00 0.00 C ATOM 554 NZ LYS A 47 -1.950 8.628 7.779 1.00 0.00 N ATOM 0 H LYS A 47 -3.246 8.837 1.484 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.574 6.544 1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.097 7.028 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.089 8.512 2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.299 9.119 3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.477 7.566 4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.041 8.547 5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.056 9.972 5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.715 9.032 6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.093 7.406 6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.478 8.322 8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.087 8.055 7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.690 9.630 7.878 1.00 0.00 H new ATOM 568 N PHE A 48 -4.509 6.214 2.749 1.00 0.00 N ATOM 569 CA PHE A 48 -5.476 5.241 3.241 1.00 0.00 C ATOM 570 C PHE A 48 -5.804 4.216 2.160 1.00 0.00 C ATOM 571 O PHE A 48 -6.010 3.038 2.449 1.00 0.00 O ATOM 572 CB PHE A 48 -6.753 5.945 3.705 1.00 0.00 C ATOM 573 CG PHE A 48 -7.117 5.648 5.132 1.00 0.00 C ATOM 574 CD1 PHE A 48 -6.300 6.066 6.171 1.00 0.00 C ATOM 575 CD2 PHE A 48 -8.275 4.949 5.433 1.00 0.00 C ATOM 576 CE1 PHE A 48 -6.634 5.793 7.483 1.00 0.00 C ATOM 577 CE2 PHE A 48 -8.613 4.673 6.744 1.00 0.00 C ATOM 578 CZ PHE A 48 -7.790 5.096 7.772 1.00 0.00 C ATOM 0 H PHE A 48 -4.868 7.166 2.679 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.035 4.720 4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.628 7.021 3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.578 5.647 3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.393 6.611 5.952 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.921 4.616 4.634 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.990 6.125 8.284 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.519 4.128 6.966 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.051 4.882 8.798 1.00 0.00 H new ATOM 588 N LEU A 49 -5.846 4.675 0.914 1.00 0.00 N ATOM 589 CA LEU A 49 -6.143 3.801 -0.211 1.00 0.00 C ATOM 590 C LEU A 49 -4.963 2.872 -0.487 1.00 0.00 C ATOM 591 O LEU A 49 -5.143 1.696 -0.799 1.00 0.00 O ATOM 592 CB LEU A 49 -6.482 4.644 -1.449 1.00 0.00 C ATOM 593 CG LEU A 49 -6.105 4.030 -2.800 1.00 0.00 C ATOM 594 CD1 LEU A 49 -6.920 2.774 -3.063 1.00 0.00 C ATOM 595 CD2 LEU A 49 -6.306 5.043 -3.918 1.00 0.00 C ATOM 0 H LEU A 49 -5.678 5.648 0.659 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.007 3.183 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.554 4.841 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.981 5.607 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.051 3.753 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.638 2.352 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.727 2.044 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.981 3.024 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.034 4.591 -4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.351 5.350 -3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.677 5.915 -3.737 1.00 0.00 H new ATOM 607 N ARG A 50 -3.755 3.414 -0.364 1.00 0.00 N ATOM 608 CA ARG A 50 -2.543 2.638 -0.595 1.00 0.00 C ATOM 609 C ARG A 50 -2.375 1.563 0.471 1.00 0.00 C ATOM 610 O ARG A 50 -1.902 0.462 0.190 1.00 0.00 O ATOM 611 CB ARG A 50 -1.320 3.557 -0.610 1.00 0.00 C ATOM 612 CG ARG A 50 -0.998 4.113 -1.987 1.00 0.00 C ATOM 613 CD ARG A 50 0.461 4.528 -2.098 1.00 0.00 C ATOM 614 NE ARG A 50 0.892 5.332 -0.955 1.00 0.00 N ATOM 615 CZ ARG A 50 1.516 4.835 0.114 1.00 0.00 C ATOM 616 NH1 ARG A 50 1.776 3.536 0.203 1.00 0.00 N ATOM 617 NH2 ARG A 50 1.877 5.644 1.100 1.00 0.00 N ATOM 0 H ARG A 50 -3.590 4.387 -0.106 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.632 2.149 -1.565 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.489 4.386 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.456 3.006 -0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.221 3.362 -2.744 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.637 4.972 -2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.086 3.638 -2.171 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.607 5.097 -3.016 1.00 0.00 H new ATOM 0 HE ARG A 50 0.704 6.334 -0.977 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.498 2.907 -0.551 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.254 3.167 1.025 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.677 6.642 1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.354 5.268 1.919 1.00 0.00 H new ATOM 631 N GLU A 51 -2.767 1.889 1.698 1.00 0.00 N ATOM 632 CA GLU A 51 -2.662 0.951 2.809 1.00 0.00 C ATOM 633 C GLU A 51 -3.610 -0.228 2.615 1.00 0.00 C ATOM 634 O GLU A 51 -3.318 -1.349 3.030 1.00 0.00 O ATOM 635 CB GLU A 51 -2.967 1.656 4.132 1.00 0.00 C ATOM 636 CG GLU A 51 -2.034 1.260 5.265 1.00 0.00 C ATOM 637 CD GLU A 51 -1.551 2.451 6.069 1.00 0.00 C ATOM 638 OE1 GLU A 51 -0.540 3.066 5.672 1.00 0.00 O ATOM 639 OE2 GLU A 51 -2.186 2.769 7.096 1.00 0.00 O ATOM 0 H GLU A 51 -3.160 2.796 1.948 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.640 0.572 2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.905 2.734 3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.993 1.434 4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.549 0.564 5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.174 0.731 4.854 1.00 0.00 H new ATOM 646 N SER A 52 -4.746 0.035 1.978 1.00 0.00 N ATOM 647 CA SER A 52 -5.740 -1.002 1.724 1.00 0.00 C ATOM 648 C SER A 52 -6.002 -1.148 0.228 1.00 0.00 C ATOM 649 O SER A 52 -7.137 -1.360 -0.195 1.00 0.00 O ATOM 650 CB SER A 52 -7.046 -0.676 2.454 1.00 0.00 C ATOM 651 OG SER A 52 -6.819 0.215 3.533 1.00 0.00 O ATOM 0 H SER A 52 -5.002 0.958 1.628 1.00 0.00 H new ATOM 0 HA SER A 52 -5.348 -1.947 2.100 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.756 -0.233 1.756 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.497 -1.596 2.826 1.00 0.00 H new ATOM 0 HG SER A 52 -6.659 1.117 3.184 1.00 0.00 H new ATOM 657 N ALA A 53 -4.943 -1.030 -0.565 1.00 0.00 N ATOM 658 CA ALA A 53 -5.057 -1.146 -2.014 1.00 0.00 C ATOM 659 C ALA A 53 -4.619 -2.527 -2.489 1.00 0.00 C ATOM 660 O ALA A 53 -3.491 -2.952 -2.242 1.00 0.00 O ATOM 661 CB ALA A 53 -4.231 -0.065 -2.695 1.00 0.00 C ATOM 0 H ALA A 53 -3.996 -0.854 -0.229 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.104 -1.013 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.325 -0.163 -3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.591 0.916 -2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.184 -0.173 -2.410 1.00 0.00 H new ATOM 667 N CYS A 54 -5.520 -3.223 -3.174 1.00 0.00 N ATOM 668 CA CYS A 54 -5.226 -4.556 -3.687 1.00 0.00 C ATOM 669 C CYS A 54 -4.416 -4.476 -4.977 1.00 0.00 C ATOM 670 O CYS A 54 -4.923 -4.761 -6.061 1.00 0.00 O ATOM 671 CB CYS A 54 -6.527 -5.329 -3.926 1.00 0.00 C ATOM 672 SG CYS A 54 -6.300 -6.962 -4.703 1.00 0.00 S ATOM 0 H CYS A 54 -6.459 -2.887 -3.387 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.631 -5.085 -2.943 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.037 -5.462 -2.972 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.182 -4.728 -4.557 1.00 0.00 H new ATOM 677 N GLY A 55 -3.152 -4.086 -4.848 1.00 0.00 N ATOM 678 CA GLY A 55 -2.290 -3.974 -6.011 1.00 0.00 C ATOM 679 C GLY A 55 -1.884 -5.326 -6.564 1.00 0.00 C ATOM 680 O GLY A 55 -1.911 -6.330 -5.852 1.00 0.00 O ATOM 0 H GLY A 55 -2.710 -3.846 -3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.804 -3.407 -6.787 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.396 -3.411 -5.744 1.00 0.00 H new ATOM 684 N PHE A 56 -1.507 -5.352 -7.838 1.00 0.00 N ATOM 685 CA PHE A 56 -1.094 -6.589 -8.488 1.00 0.00 C ATOM 686 C PHE A 56 -0.648 -6.324 -9.924 1.00 0.00 C ATOM 687 O PHE A 56 0.332 -6.899 -10.397 1.00 0.00 O ATOM 688 CB PHE A 56 -2.237 -7.605 -8.476 1.00 0.00 C ATOM 689 CG PHE A 56 -1.862 -8.939 -9.058 1.00 0.00 C ATOM 690 CD1 PHE A 56 -1.065 -9.820 -8.347 1.00 0.00 C ATOM 691 CD2 PHE A 56 -2.306 -9.308 -10.318 1.00 0.00 C ATOM 692 CE1 PHE A 56 -0.718 -11.048 -8.881 1.00 0.00 C ATOM 693 CE2 PHE A 56 -1.964 -10.534 -10.856 1.00 0.00 C ATOM 694 CZ PHE A 56 -1.168 -11.404 -10.137 1.00 0.00 C ATOM 0 H PHE A 56 -1.479 -4.530 -8.441 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.250 -6.998 -7.932 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.574 -7.748 -7.449 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.080 -7.198 -9.035 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.710 -9.545 -7.365 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.926 -8.630 -10.886 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.096 -11.727 -8.317 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.319 -10.812 -11.838 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.898 -12.362 -10.557 1.00 0.00 H new ATOM 704 N ASP A 57 -1.376 -5.450 -10.610 1.00 0.00 N ATOM 705 CA ASP A 57 -1.058 -5.105 -11.989 1.00 0.00 C ATOM 706 C ASP A 57 -0.292 -3.786 -12.058 1.00 0.00 C ATOM 707 O ASP A 57 0.473 -3.550 -12.993 1.00 0.00 O ATOM 708 CB ASP A 57 -2.338 -5.011 -12.824 1.00 0.00 C ATOM 709 CG ASP A 57 -2.268 -5.853 -14.083 1.00 0.00 C ATOM 710 OD1 ASP A 57 -1.182 -5.911 -14.699 1.00 0.00 O ATOM 711 OD2 ASP A 57 -3.300 -6.451 -14.454 1.00 0.00 O ATOM 0 H ASP A 57 -2.191 -4.967 -10.232 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.425 -5.893 -12.397 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.187 -5.333 -12.221 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.516 -3.970 -13.095 1.00 0.00 H new ATOM 716 N GLY A 58 -0.508 -2.928 -11.066 1.00 0.00 N ATOM 717 CA GLY A 58 0.166 -1.644 -11.038 1.00 0.00 C ATOM 718 C GLY A 58 -0.653 -0.550 -11.691 1.00 0.00 C ATOM 719 O GLY A 58 -1.244 -0.760 -12.752 1.00 0.00 O ATOM 0 H GLY A 58 -1.137 -3.099 -10.282 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.377 -1.369 -10.004 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.126 -1.729 -11.547 1.00 0.00 H new ATOM 723 N GLN A 59 -0.691 0.621 -11.059 1.00 0.00 N ATOM 724 CA GLN A 59 -1.448 1.757 -11.584 1.00 0.00 C ATOM 725 C GLN A 59 -2.946 1.569 -11.358 1.00 0.00 C ATOM 726 O GLN A 59 -3.592 2.392 -10.712 1.00 0.00 O ATOM 727 CB GLN A 59 -1.161 1.956 -13.076 1.00 0.00 C ATOM 728 CG GLN A 59 -0.894 3.404 -13.456 1.00 0.00 C ATOM 729 CD GLN A 59 -1.926 3.954 -14.421 1.00 0.00 C ATOM 730 OE1 GLN A 59 -2.878 4.623 -14.016 1.00 0.00 O ATOM 731 NE2 GLN A 59 -1.744 3.675 -15.707 1.00 0.00 N ATOM 0 H GLN A 59 -0.206 0.809 -10.182 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.128 2.648 -11.044 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.299 1.351 -13.356 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.009 1.588 -13.653 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.883 4.016 -12.554 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.096 3.481 -13.906 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.942 3.117 -15.999 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.407 4.019 -16.402 1.00 0.00 H new ATOM 740 N THR A 60 -3.495 0.480 -11.897 1.00 0.00 N ATOM 741 CA THR A 60 -4.919 0.184 -11.755 1.00 0.00 C ATOM 742 C THR A 60 -5.378 0.362 -10.307 1.00 0.00 C ATOM 743 O THR A 60 -4.734 -0.131 -9.380 1.00 0.00 O ATOM 744 CB THR A 60 -5.208 -1.244 -12.222 1.00 0.00 C ATOM 745 OG1 THR A 60 -4.324 -1.620 -13.264 1.00 0.00 O ATOM 746 CG2 THR A 60 -6.622 -1.434 -12.729 1.00 0.00 C ATOM 0 H THR A 60 -2.974 -0.212 -12.436 1.00 0.00 H new ATOM 0 HA THR A 60 -5.474 0.886 -12.377 1.00 0.00 H new ATOM 0 HB THR A 60 -5.068 -1.869 -11.340 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.528 -2.045 -12.881 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.760 -2.468 -13.044 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.329 -1.200 -11.933 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.797 -0.770 -13.576 1.00 0.00 H new ATOM 754 N PRO A 61 -6.497 1.077 -10.090 1.00 0.00 N ATOM 755 CA PRO A 61 -7.031 1.319 -8.746 1.00 0.00 C ATOM 756 C PRO A 61 -7.710 0.089 -8.153 1.00 0.00 C ATOM 757 O PRO A 61 -8.592 -0.506 -8.773 1.00 0.00 O ATOM 758 CB PRO A 61 -8.050 2.435 -8.971 1.00 0.00 C ATOM 759 CG PRO A 61 -8.513 2.241 -10.373 1.00 0.00 C ATOM 760 CD PRO A 61 -7.329 1.709 -11.135 1.00 0.00 C ATOM 0 HA PRO A 61 -6.244 1.573 -8.036 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.878 2.364 -8.266 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.599 3.418 -8.835 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.349 1.542 -10.414 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.862 3.181 -10.802 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.632 0.989 -11.895 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.791 2.507 -11.648 1.00 0.00 H new ATOM 768 N LYS A 62 -7.295 -0.283 -6.946 1.00 0.00 N ATOM 769 CA LYS A 62 -7.863 -1.438 -6.261 1.00 0.00 C ATOM 770 C LYS A 62 -8.084 -1.133 -4.783 1.00 0.00 C ATOM 771 O LYS A 62 -7.526 -0.177 -4.247 1.00 0.00 O ATOM 772 CB LYS A 62 -6.941 -2.651 -6.415 1.00 0.00 C ATOM 773 CG LYS A 62 -7.510 -3.735 -7.319 1.00 0.00 C ATOM 774 CD LYS A 62 -6.594 -4.015 -8.501 1.00 0.00 C ATOM 775 CE LYS A 62 -6.909 -5.356 -9.143 1.00 0.00 C ATOM 776 NZ LYS A 62 -5.982 -6.426 -8.678 1.00 0.00 N ATOM 0 H LYS A 62 -6.566 0.200 -6.422 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.827 -1.666 -6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.983 -2.321 -6.816 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.745 -3.076 -5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.654 -4.650 -6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.491 -3.429 -7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.700 -3.222 -9.241 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.556 -4.004 -8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.936 -5.638 -8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.843 -5.264 -10.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.522 -7.293 -8.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.275 -6.617 -9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.501 -6.115 -7.810 1.00 0.00 H new ATOM 790 N VAL A 63 -8.903 -1.950 -4.127 1.00 0.00 N ATOM 791 CA VAL A 63 -9.193 -1.760 -2.710 1.00 0.00 C ATOM 792 C VAL A 63 -9.445 -3.090 -2.007 1.00 0.00 C ATOM 793 O VAL A 63 -10.043 -4.002 -2.576 1.00 0.00 O ATOM 794 CB VAL A 63 -10.417 -0.846 -2.506 1.00 0.00 C ATOM 795 CG1 VAL A 63 -10.579 -0.491 -1.036 1.00 0.00 C ATOM 796 CG2 VAL A 63 -10.293 0.409 -3.355 1.00 0.00 C ATOM 0 H VAL A 63 -9.376 -2.747 -4.553 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.314 -1.287 -2.273 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.308 -1.386 -2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.448 0.155 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.718 -1.403 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.687 0.030 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.166 1.042 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.393 0.954 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.230 0.132 -4.407 1.00 0.00 H new ATOM 806 N CYS A 64 -8.988 -3.189 -0.761 1.00 0.00 N ATOM 807 CA CYS A 64 -9.166 -4.402 0.028 1.00 0.00 C ATOM 808 C CYS A 64 -10.321 -4.237 1.012 1.00 0.00 C ATOM 809 O CYS A 64 -10.332 -3.307 1.820 1.00 0.00 O ATOM 810 CB CYS A 64 -7.880 -4.739 0.785 1.00 0.00 C ATOM 811 SG CYS A 64 -7.809 -6.448 1.413 1.00 0.00 S ATOM 0 H CYS A 64 -8.491 -2.442 -0.277 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.400 -5.221 -0.652 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.029 -4.571 0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.774 -4.051 1.624 1.00 0.00 H new ATOM 816 N CYS A 65 -11.292 -5.140 0.938 1.00 0.00 N ATOM 817 CA CYS A 65 -12.453 -5.088 1.821 1.00 0.00 C ATOM 818 C CYS A 65 -12.514 -6.323 2.718 1.00 0.00 C ATOM 819 O CYS A 65 -12.431 -7.451 2.236 1.00 0.00 O ATOM 820 CB CYS A 65 -13.737 -4.978 0.994 1.00 0.00 C ATOM 821 SG CYS A 65 -14.333 -3.272 0.769 1.00 0.00 S ATOM 0 H CYS A 65 -11.299 -5.917 0.277 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.358 -4.208 2.457 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.565 -5.423 0.014 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.519 -5.564 1.477 1.00 0.00 H new ATOM 826 N PRO A 66 -12.665 -6.127 4.042 1.00 0.00 N ATOM 827 CA PRO A 66 -12.738 -7.235 4.998 1.00 0.00 C ATOM 828 C PRO A 66 -14.085 -7.947 4.957 1.00 0.00 C ATOM 829 O PRO A 66 -14.886 -7.730 4.049 1.00 0.00 O ATOM 830 CB PRO A 66 -12.540 -6.545 6.347 1.00 0.00 C ATOM 831 CG PRO A 66 -13.070 -5.168 6.144 1.00 0.00 C ATOM 832 CD PRO A 66 -12.775 -4.814 4.710 1.00 0.00 C ATOM 0 HA PRO A 66 -12.001 -8.010 4.785 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.077 -7.064 7.141 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.488 -6.527 6.633 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.141 -5.129 6.342 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.594 -4.463 6.825 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.570 -4.209 4.275 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.852 -4.240 4.621 1.00 0.00 H new TER 840 PRO A 66