USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 445 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 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 178:sc= -0.912 (180deg=-0.979) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0919 USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.194) USER MOD Single : A 9 ASN : amide:sc= -4.12 X(o=-4.1,f=-4.4!) USER MOD Single : A 11 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.4!) USER MOD Single : A 13 THR OG1 : rot -117:sc= 0.37 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -100:sc= -0.394 USER MOD Single : A 24 GLN : amide:sc= -2.45 K(o=-2.4,f=-0.42) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -9.11! C(o=-9.1!,f=-15!) USER MOD Single : A 53 ASN : amide:sc= -4.97! K(o=-5!,f=-1.4) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -10.700 9.592 -9.247 1.00 0.00 N ATOM 2 CA GLU A 1 -12.050 9.056 -9.592 1.00 0.00 C ATOM 3 C GLU A 1 -12.778 8.651 -8.307 1.00 0.00 C ATOM 4 O GLU A 1 -13.747 9.272 -7.918 1.00 0.00 O ATOM 5 CB GLU A 1 -11.928 7.838 -10.508 1.00 0.00 C ATOM 6 CG GLU A 1 -12.474 8.194 -11.891 1.00 0.00 C ATOM 7 CD GLU A 1 -12.341 6.983 -12.816 1.00 0.00 C ATOM 8 OE1 GLU A 1 -12.578 5.893 -12.320 1.00 0.00 O ATOM 9 OE2 GLU A 1 -12.007 7.214 -13.967 1.00 0.00 O ATOM 0 H1 GLU A 1 -10.203 9.868 -10.118 1.00 0.00 H new ATOM 0 H2 GLU A 1 -10.804 10.422 -8.630 1.00 0.00 H new ATOM 0 H3 GLU A 1 -10.152 8.859 -8.753 1.00 0.00 H new ATOM 0 HA GLU A 1 -12.612 9.832 -10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -10.886 7.528 -10.584 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -12.481 6.997 -10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -13.519 8.495 -11.815 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -11.927 9.042 -12.303 1.00 0.00 H new ATOM 18 N ALA A 2 -12.296 7.615 -7.677 1.00 0.00 N ATOM 19 CA ALA A 2 -12.948 7.157 -6.415 1.00 0.00 C ATOM 20 C ALA A 2 -12.584 8.098 -5.263 1.00 0.00 C ATOM 21 O ALA A 2 -11.717 8.939 -5.394 1.00 0.00 O ATOM 22 CB ALA A 2 -12.466 5.744 -6.090 1.00 0.00 C ATOM 0 H ALA A 2 -11.488 7.070 -7.976 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.030 7.161 -6.546 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.938 5.402 -5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.732 5.072 -6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.383 5.749 -5.963 1.00 0.00 H new ATOM 28 N GLU A 3 -13.258 7.939 -4.156 1.00 0.00 N ATOM 29 CA GLU A 3 -12.964 8.816 -2.985 1.00 0.00 C ATOM 30 C GLU A 3 -11.449 8.936 -2.783 1.00 0.00 C ATOM 31 O GLU A 3 -10.814 8.030 -2.280 1.00 0.00 O ATOM 32 CB GLU A 3 -13.595 8.211 -1.734 1.00 0.00 C ATOM 33 CG GLU A 3 -15.107 8.090 -1.941 1.00 0.00 C ATOM 34 CD GLU A 3 -15.764 7.653 -0.631 1.00 0.00 C ATOM 35 OE1 GLU A 3 -15.413 8.247 0.375 1.00 0.00 O ATOM 36 OE2 GLU A 3 -16.580 6.750 -0.710 1.00 0.00 O ATOM 0 H GLU A 3 -13.993 7.247 -4.012 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.378 9.808 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.164 7.230 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.384 8.836 -0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.519 9.045 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.321 7.366 -2.727 1.00 0.00 H new ATOM 43 N LYS A 4 -10.904 10.052 -3.179 1.00 0.00 N ATOM 44 CA LYS A 4 -9.434 10.248 -3.019 1.00 0.00 C ATOM 45 C LYS A 4 -9.078 10.410 -1.537 1.00 0.00 C ATOM 46 O LYS A 4 -9.841 10.965 -0.770 1.00 0.00 O ATOM 47 CB LYS A 4 -9.009 11.501 -3.783 1.00 0.00 C ATOM 48 CG LYS A 4 -9.781 12.707 -3.238 1.00 0.00 C ATOM 49 CD LYS A 4 -10.459 13.438 -4.401 1.00 0.00 C ATOM 50 CE LYS A 4 -11.276 14.613 -3.855 1.00 0.00 C ATOM 51 NZ LYS A 4 -10.992 14.824 -2.408 1.00 0.00 N ATOM 0 H LYS A 4 -11.407 10.832 -3.603 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.913 9.376 -3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.936 11.661 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.207 11.378 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.527 12.379 -2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.103 13.381 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.709 13.798 -5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.107 12.753 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.038 15.518 -4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.339 14.421 -3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.530 15.646 -2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.273 13.978 -1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.975 14.996 -2.275 1.00 0.00 H new ATOM 65 N CYS A 5 -7.927 9.922 -1.166 1.00 0.00 N ATOM 66 CA CYS A 5 -7.502 10.041 0.259 1.00 0.00 C ATOM 67 C CYS A 5 -6.723 11.345 0.467 1.00 0.00 C ATOM 68 O CYS A 5 -6.744 12.224 -0.372 1.00 0.00 O ATOM 69 CB CYS A 5 -6.615 8.852 0.620 1.00 0.00 C ATOM 70 SG CYS A 5 -7.365 7.202 0.556 1.00 0.00 S ATOM 0 H CYS A 5 -7.266 9.449 -1.782 1.00 0.00 H new ATOM 0 HA CYS A 5 -8.384 10.050 0.899 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.755 8.857 -0.050 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.234 9.010 1.629 1.00 0.00 H new ATOM 75 N THR A 6 -6.052 11.441 1.582 1.00 0.00 N ATOM 76 CA THR A 6 -5.270 12.680 1.865 1.00 0.00 C ATOM 77 C THR A 6 -3.796 12.489 1.480 1.00 0.00 C ATOM 78 O THR A 6 -3.423 12.663 0.337 1.00 0.00 O ATOM 79 CB THR A 6 -5.371 12.999 3.357 1.00 0.00 C ATOM 80 OG1 THR A 6 -5.522 11.732 3.989 1.00 0.00 O ATOM 81 CG2 THR A 6 -6.651 13.767 3.680 1.00 0.00 C ATOM 0 H THR A 6 -6.010 10.722 2.305 1.00 0.00 H new ATOM 0 HA THR A 6 -5.677 13.501 1.276 1.00 0.00 H new ATOM 0 HB THR A 6 -4.507 13.585 3.672 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.592 11.856 4.959 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.690 13.977 4.749 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.662 14.705 3.125 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.516 13.168 3.396 1.00 0.00 H new ATOM 89 N LYS A 7 -2.993 12.135 2.447 1.00 0.00 N ATOM 90 CA LYS A 7 -1.538 11.938 2.164 1.00 0.00 C ATOM 91 C LYS A 7 -1.357 10.988 0.946 1.00 0.00 C ATOM 92 O LYS A 7 -2.180 10.124 0.720 1.00 0.00 O ATOM 93 CB LYS A 7 -0.885 11.310 3.400 1.00 0.00 C ATOM 94 CG LYS A 7 -0.962 12.296 4.577 1.00 0.00 C ATOM 95 CD LYS A 7 -0.101 13.533 4.282 1.00 0.00 C ATOM 96 CE LYS A 7 0.551 14.009 5.583 1.00 0.00 C ATOM 97 NZ LYS A 7 -0.488 14.323 6.603 1.00 0.00 N ATOM 0 H LYS A 7 -3.276 11.974 3.414 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.073 12.897 1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.390 10.379 3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.155 11.061 3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.997 12.594 4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.617 11.812 5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.664 13.292 3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.715 14.327 3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.222 13.239 5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.158 14.893 5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.051 14.831 7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.226 14.918 6.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.913 13.439 6.949 1.00 0.00 H new ATOM 111 N PRO A 8 -0.277 11.164 0.178 1.00 0.00 N ATOM 112 CA PRO A 8 -0.022 10.299 -0.985 1.00 0.00 C ATOM 113 C PRO A 8 0.081 8.829 -0.550 1.00 0.00 C ATOM 114 O PRO A 8 -0.107 8.510 0.605 1.00 0.00 O ATOM 115 CB PRO A 8 1.311 10.782 -1.570 1.00 0.00 C ATOM 116 CG PRO A 8 1.837 11.922 -0.648 1.00 0.00 C ATOM 117 CD PRO A 8 0.745 12.210 0.397 1.00 0.00 C ATOM 0 HA PRO A 8 -0.828 10.356 -1.716 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.029 9.963 -1.616 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.174 11.144 -2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.765 11.624 -0.161 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.056 12.817 -1.231 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.146 12.165 1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.325 13.207 0.265 1.00 0.00 H new ATOM 125 N ASN A 9 0.386 7.969 -1.488 1.00 0.00 N ATOM 126 CA ASN A 9 0.495 6.514 -1.151 1.00 0.00 C ATOM 127 C ASN A 9 -0.834 6.010 -0.573 1.00 0.00 C ATOM 128 O ASN A 9 -1.602 5.365 -1.260 1.00 0.00 O ATOM 129 CB ASN A 9 1.628 6.302 -0.134 1.00 0.00 C ATOM 130 CG ASN A 9 2.835 7.172 -0.510 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.723 6.750 -1.228 1.00 0.00 O ATOM 132 ND2 ASN A 9 2.909 8.384 -0.035 1.00 0.00 N ATOM 0 H ASN A 9 0.563 8.206 -2.464 1.00 0.00 H new ATOM 0 HA ASN A 9 0.720 5.951 -2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.282 6.557 0.868 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.918 5.252 -0.113 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.708 8.974 -0.265 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.167 8.742 0.567 1.00 0.00 H new ATOM 139 N GLU A 10 -1.084 6.308 0.673 1.00 0.00 N ATOM 140 CA GLU A 10 -2.365 5.856 1.279 1.00 0.00 C ATOM 141 C GLU A 10 -3.529 6.308 0.397 1.00 0.00 C ATOM 142 O GLU A 10 -4.007 7.416 0.526 1.00 0.00 O ATOM 143 CB GLU A 10 -2.508 6.469 2.669 1.00 0.00 C ATOM 144 CG GLU A 10 -1.460 5.853 3.598 1.00 0.00 C ATOM 145 CD GLU A 10 -1.645 6.413 5.011 1.00 0.00 C ATOM 146 OE1 GLU A 10 -1.263 7.558 5.193 1.00 0.00 O ATOM 147 OE2 GLU A 10 -2.156 5.665 5.828 1.00 0.00 O ATOM 0 H GLU A 10 -0.466 6.837 1.288 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.372 4.769 1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.377 7.550 2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.509 6.287 3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.560 4.768 3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.457 6.077 3.234 1.00 0.00 H new ATOM 154 N GLN A 11 -3.953 5.436 -0.483 1.00 0.00 N ATOM 155 CA GLN A 11 -5.078 5.790 -1.402 1.00 0.00 C ATOM 156 C GLN A 11 -6.251 4.850 -1.171 1.00 0.00 C ATOM 157 O GLN A 11 -6.106 3.817 -0.555 1.00 0.00 O ATOM 158 CB GLN A 11 -4.609 5.657 -2.845 1.00 0.00 C ATOM 159 CG GLN A 11 -5.310 6.712 -3.703 1.00 0.00 C ATOM 160 CD GLN A 11 -5.251 6.292 -5.172 1.00 0.00 C ATOM 161 OE1 GLN A 11 -5.323 5.122 -5.496 1.00 0.00 O ATOM 162 NE2 GLN A 11 -5.124 7.209 -6.088 1.00 0.00 N ATOM 0 H GLN A 11 -3.571 4.498 -0.605 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.392 6.815 -1.205 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.528 5.785 -2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.832 4.659 -3.221 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.347 6.824 -3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.830 7.682 -3.571 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.063 8.192 -5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.085 6.945 -7.072 1.00 0.00 H new ATOM 171 N TRP A 12 -7.387 5.214 -1.675 1.00 0.00 N ATOM 172 CA TRP A 12 -8.567 4.341 -1.477 1.00 0.00 C ATOM 173 C TRP A 12 -8.383 3.017 -2.191 1.00 0.00 C ATOM 174 O TRP A 12 -7.982 2.976 -3.338 1.00 0.00 O ATOM 175 CB TRP A 12 -9.804 5.011 -2.042 1.00 0.00 C ATOM 176 CG TRP A 12 -10.979 4.034 -1.928 1.00 0.00 C ATOM 177 CD1 TRP A 12 -11.425 3.262 -2.919 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.703 3.865 -0.846 1.00 0.00 C ATOM 179 NE1 TRP A 12 -12.473 2.618 -2.369 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.717 2.953 -1.058 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.549 4.450 0.391 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.584 2.637 -0.036 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.412 4.131 1.417 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.432 3.225 1.204 1.00 0.00 C ATOM 0 H TRP A 12 -7.551 6.067 -2.209 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.679 4.168 -0.407 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -10.020 5.929 -1.496 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.642 5.289 -3.083 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.038 3.174 -3.924 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.037 1.940 -2.881 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.752 5.159 0.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.383 1.930 -0.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.291 4.589 2.387 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.110 2.976 2.007 1.00 0.00 H new ATOM 195 N THR A 13 -8.674 1.960 -1.496 1.00 0.00 N ATOM 196 CA THR A 13 -8.562 0.628 -2.128 1.00 0.00 C ATOM 197 C THR A 13 -9.693 -0.266 -1.618 1.00 0.00 C ATOM 198 O THR A 13 -9.787 -0.545 -0.433 1.00 0.00 O ATOM 199 CB THR A 13 -7.199 0.009 -1.801 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.122 -1.152 -2.621 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.145 -0.507 -0.371 1.00 0.00 C ATOM 0 H THR A 13 -8.983 1.962 -0.524 1.00 0.00 H new ATOM 0 HA THR A 13 -8.644 0.725 -3.211 1.00 0.00 H new ATOM 0 HB THR A 13 -6.412 0.748 -1.949 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.065 -1.949 -2.054 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.163 -0.939 -0.177 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.322 0.317 0.320 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.911 -1.270 -0.230 1.00 0.00 H new ATOM 209 N LYS A 14 -10.537 -0.682 -2.521 1.00 0.00 N ATOM 210 CA LYS A 14 -11.678 -1.544 -2.114 1.00 0.00 C ATOM 211 C LYS A 14 -11.172 -2.864 -1.520 1.00 0.00 C ATOM 212 O LYS A 14 -11.941 -3.644 -0.991 1.00 0.00 O ATOM 213 CB LYS A 14 -12.546 -1.826 -3.337 1.00 0.00 C ATOM 214 CG LYS A 14 -13.081 -0.502 -3.883 1.00 0.00 C ATOM 215 CD LYS A 14 -14.571 -0.385 -3.554 1.00 0.00 C ATOM 216 CE LYS A 14 -15.107 0.933 -4.115 1.00 0.00 C ATOM 217 NZ LYS A 14 -15.913 0.686 -5.344 1.00 0.00 N ATOM 0 H LYS A 14 -10.486 -0.464 -3.516 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.263 -1.028 -1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.964 -2.341 -4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.372 -2.484 -3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.533 0.333 -3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.930 -0.452 -4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.117 -1.225 -3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.722 -0.423 -2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.720 1.432 -3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.277 1.602 -4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.270 1.591 -5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.317 0.229 -6.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.715 0.065 -5.114 1.00 0.00 H new ATOM 231 N CYS A 15 -9.888 -3.086 -1.622 1.00 0.00 N ATOM 232 CA CYS A 15 -9.310 -4.345 -1.064 1.00 0.00 C ATOM 233 C CYS A 15 -7.960 -4.055 -0.401 1.00 0.00 C ATOM 234 O CYS A 15 -6.988 -3.765 -1.069 1.00 0.00 O ATOM 235 CB CYS A 15 -9.113 -5.349 -2.194 1.00 0.00 C ATOM 236 SG CYS A 15 -7.755 -6.535 -2.022 1.00 0.00 S ATOM 0 H CYS A 15 -9.219 -2.456 -2.064 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.992 -4.754 -0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.039 -5.911 -2.311 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.959 -4.791 -3.118 1.00 0.00 H new ATOM 241 N GLY A 16 -7.929 -4.139 0.900 1.00 0.00 N ATOM 242 CA GLY A 16 -6.652 -3.868 1.620 1.00 0.00 C ATOM 243 C GLY A 16 -5.899 -5.173 1.888 1.00 0.00 C ATOM 244 O GLY A 16 -5.984 -6.109 1.120 1.00 0.00 O ATOM 0 H GLY A 16 -8.724 -4.381 1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.029 -3.197 1.028 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.860 -3.361 2.562 1.00 0.00 H new ATOM 248 N GLY A 17 -5.178 -5.200 2.982 1.00 0.00 N ATOM 249 CA GLY A 17 -4.402 -6.428 3.331 1.00 0.00 C ATOM 250 C GLY A 17 -2.909 -6.187 3.111 1.00 0.00 C ATOM 251 O GLY A 17 -2.382 -5.157 3.486 1.00 0.00 O ATOM 0 H GLY A 17 -5.094 -4.429 3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.585 -6.700 4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.737 -7.265 2.719 1.00 0.00 H new ATOM 255 N CYS A 18 -2.254 -7.139 2.507 1.00 0.00 N ATOM 256 CA CYS A 18 -0.794 -6.973 2.252 1.00 0.00 C ATOM 257 C CYS A 18 -0.575 -6.197 0.952 1.00 0.00 C ATOM 258 O CYS A 18 -1.520 -5.806 0.294 1.00 0.00 O ATOM 259 CB CYS A 18 -0.142 -8.350 2.136 1.00 0.00 C ATOM 260 SG CYS A 18 -0.707 -9.639 3.271 1.00 0.00 S ATOM 0 H CYS A 18 -2.660 -8.016 2.182 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.346 -6.420 3.078 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.292 -8.709 1.118 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.932 -8.226 2.275 1.00 0.00 H new ATOM 265 N GLU A 19 0.666 -5.990 0.607 1.00 0.00 N ATOM 266 CA GLU A 19 0.956 -5.241 -0.648 1.00 0.00 C ATOM 267 C GLU A 19 2.382 -5.535 -1.124 1.00 0.00 C ATOM 268 O GLU A 19 2.995 -6.496 -0.705 1.00 0.00 O ATOM 269 CB GLU A 19 0.803 -3.744 -0.386 1.00 0.00 C ATOM 270 CG GLU A 19 0.136 -3.086 -1.597 1.00 0.00 C ATOM 271 CD GLU A 19 -1.371 -3.352 -1.552 1.00 0.00 C ATOM 272 OE1 GLU A 19 -1.947 -3.020 -0.530 1.00 0.00 O ATOM 273 OE2 GLU A 19 -1.858 -3.872 -2.542 1.00 0.00 O ATOM 0 H GLU A 19 1.483 -6.303 1.132 1.00 0.00 H new ATOM 0 HA GLU A 19 0.256 -5.555 -1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.203 -3.579 0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.778 -3.293 -0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.328 -2.013 -1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.559 -3.483 -2.520 1.00 0.00 H new ATOM 280 N GLY A 20 2.877 -4.697 -1.992 1.00 0.00 N ATOM 281 CA GLY A 20 4.257 -4.910 -2.508 1.00 0.00 C ATOM 282 C GLY A 20 5.294 -4.428 -1.495 1.00 0.00 C ATOM 283 O GLY A 20 4.970 -3.713 -0.567 1.00 0.00 O ATOM 0 H GLY A 20 2.390 -3.881 -2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.412 -5.968 -2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.385 -4.375 -3.449 1.00 0.00 H new ATOM 287 N THR A 21 6.522 -4.833 -1.699 1.00 0.00 N ATOM 288 CA THR A 21 7.608 -4.409 -0.768 1.00 0.00 C ATOM 289 C THR A 21 8.813 -3.926 -1.573 1.00 0.00 C ATOM 290 O THR A 21 8.802 -3.957 -2.788 1.00 0.00 O ATOM 291 CB THR A 21 8.015 -5.599 0.104 1.00 0.00 C ATOM 292 OG1 THR A 21 8.088 -6.700 -0.796 1.00 0.00 O ATOM 293 CG2 THR A 21 6.919 -5.964 1.101 1.00 0.00 C ATOM 0 H THR A 21 6.817 -5.436 -2.467 1.00 0.00 H new ATOM 0 HA THR A 21 7.252 -3.597 -0.135 1.00 0.00 H new ATOM 0 HB THR A 21 8.933 -5.368 0.644 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.271 -7.236 -0.724 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.243 -6.813 1.703 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.721 -5.112 1.752 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.009 -6.228 0.561 1.00 0.00 H new ATOM 301 N CYS A 22 9.831 -3.493 -0.887 1.00 0.00 N ATOM 302 CA CYS A 22 11.035 -3.003 -1.610 1.00 0.00 C ATOM 303 C CYS A 22 11.798 -4.187 -2.200 1.00 0.00 C ATOM 304 O CYS A 22 12.904 -4.043 -2.680 1.00 0.00 O ATOM 305 CB CYS A 22 11.932 -2.246 -0.636 1.00 0.00 C ATOM 306 SG CYS A 22 13.147 -1.118 -1.341 1.00 0.00 S ATOM 0 H CYS A 22 9.883 -3.457 0.131 1.00 0.00 H new ATOM 0 HA CYS A 22 10.731 -2.337 -2.418 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.293 -1.676 0.038 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.464 -2.978 -0.028 1.00 0.00 H new ATOM 311 N ALA A 23 11.184 -5.335 -2.145 1.00 0.00 N ATOM 312 CA ALA A 23 11.850 -6.551 -2.693 1.00 0.00 C ATOM 313 C ALA A 23 10.827 -7.476 -3.373 1.00 0.00 C ATOM 314 O ALA A 23 11.196 -8.435 -4.019 1.00 0.00 O ATOM 315 CB ALA A 23 12.524 -7.294 -1.544 1.00 0.00 C ATOM 0 H ALA A 23 10.257 -5.485 -1.748 1.00 0.00 H new ATOM 0 HA ALA A 23 12.586 -6.251 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.017 -8.187 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.263 -6.645 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.774 -7.581 -0.807 1.00 0.00 H new ATOM 321 N GLN A 24 9.562 -7.165 -3.223 1.00 0.00 N ATOM 322 CA GLN A 24 8.519 -8.029 -3.848 1.00 0.00 C ATOM 323 C GLN A 24 7.286 -7.191 -4.202 1.00 0.00 C ATOM 324 O GLN A 24 6.388 -7.038 -3.398 1.00 0.00 O ATOM 325 CB GLN A 24 8.118 -9.129 -2.861 1.00 0.00 C ATOM 326 CG GLN A 24 8.930 -10.395 -3.155 1.00 0.00 C ATOM 327 CD GLN A 24 8.527 -11.491 -2.166 1.00 0.00 C ATOM 328 OE1 GLN A 24 9.309 -11.916 -1.340 1.00 0.00 O ATOM 329 NE2 GLN A 24 7.315 -11.974 -2.216 1.00 0.00 N ATOM 0 H GLN A 24 9.212 -6.361 -2.702 1.00 0.00 H new ATOM 0 HA GLN A 24 8.921 -8.475 -4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.297 -8.798 -1.838 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.052 -9.339 -2.946 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.751 -10.727 -4.178 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.996 -10.186 -3.070 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.653 -11.621 -2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.030 -12.704 -1.563 1.00 0.00 H new ATOM 338 N LYS A 25 7.277 -6.660 -5.397 1.00 0.00 N ATOM 339 CA LYS A 25 6.108 -5.829 -5.830 1.00 0.00 C ATOM 340 C LYS A 25 4.795 -6.476 -5.373 1.00 0.00 C ATOM 341 O LYS A 25 3.800 -5.805 -5.185 1.00 0.00 O ATOM 342 CB LYS A 25 6.117 -5.718 -7.354 1.00 0.00 C ATOM 343 CG LYS A 25 5.159 -4.599 -7.783 1.00 0.00 C ATOM 344 CD LYS A 25 5.947 -3.301 -7.995 1.00 0.00 C ATOM 345 CE LYS A 25 6.513 -3.284 -9.417 1.00 0.00 C ATOM 346 NZ LYS A 25 7.636 -2.311 -9.520 1.00 0.00 N ATOM 0 H LYS A 25 8.020 -6.763 -6.088 1.00 0.00 H new ATOM 0 HA LYS A 25 6.185 -4.839 -5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.125 -5.506 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.814 -6.664 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.645 -4.879 -8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.393 -4.451 -7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.300 -2.438 -7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.756 -3.229 -7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.862 -4.281 -9.688 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.727 -3.018 -10.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.008 -2.312 -10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.293 -1.359 -9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.392 -2.582 -8.859 1.00 0.00 H new ATOM 360 N ILE A 26 4.823 -7.771 -5.213 1.00 0.00 N ATOM 361 CA ILE A 26 3.598 -8.486 -4.760 1.00 0.00 C ATOM 362 C ILE A 26 3.980 -9.573 -3.752 1.00 0.00 C ATOM 363 O ILE A 26 4.432 -10.638 -4.124 1.00 0.00 O ATOM 364 CB ILE A 26 2.929 -9.116 -5.976 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.752 -8.041 -7.053 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.556 -9.671 -5.582 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.878 -8.592 -8.177 1.00 0.00 C ATOM 0 H ILE A 26 5.638 -8.362 -5.376 1.00 0.00 H new ATOM 0 HA ILE A 26 2.912 -7.789 -4.279 1.00 0.00 H new ATOM 0 HB ILE A 26 3.547 -9.929 -6.356 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.293 -7.151 -6.623 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.723 -7.740 -7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.081 -10.120 -6.454 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.678 -10.426 -4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.931 -8.861 -5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.750 -7.830 -8.945 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.356 -9.469 -8.613 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.903 -8.871 -7.777 1.00 0.00 H new ATOM 379 N VAL A 27 3.790 -9.279 -2.497 1.00 0.00 N ATOM 380 CA VAL A 27 4.145 -10.280 -1.451 1.00 0.00 C ATOM 381 C VAL A 27 2.997 -11.321 -1.294 1.00 0.00 C ATOM 382 O VAL A 27 1.846 -10.942 -1.210 1.00 0.00 O ATOM 383 CB VAL A 27 4.335 -9.543 -0.127 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.977 -9.040 0.368 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.920 -10.505 0.903 1.00 0.00 C ATOM 0 H VAL A 27 3.408 -8.399 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 27 5.058 -10.802 -1.737 1.00 0.00 H new ATOM 0 HB VAL A 27 5.011 -8.700 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.107 -8.513 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.549 -8.362 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.306 -9.887 0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.058 -9.984 1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.239 -11.344 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.882 -10.876 0.549 1.00 0.00 H new ATOM 395 N PRO A 28 3.319 -12.624 -1.255 1.00 0.00 N ATOM 396 CA PRO A 28 2.278 -13.652 -1.095 1.00 0.00 C ATOM 397 C PRO A 28 1.551 -13.482 0.247 1.00 0.00 C ATOM 398 O PRO A 28 2.126 -13.017 1.213 1.00 0.00 O ATOM 399 CB PRO A 28 3.019 -14.994 -1.124 1.00 0.00 C ATOM 400 CG PRO A 28 4.542 -14.682 -1.222 1.00 0.00 C ATOM 401 CD PRO A 28 4.691 -13.160 -1.376 1.00 0.00 C ATOM 0 HA PRO A 28 1.524 -13.583 -1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.802 -15.572 -0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.694 -15.594 -1.974 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.063 -15.030 -0.330 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.986 -15.199 -2.073 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.344 -12.748 -0.607 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.131 -12.903 -2.339 1.00 0.00 H new ATOM 409 N CYS A 29 0.304 -13.863 0.278 1.00 0.00 N ATOM 410 CA CYS A 29 -0.471 -13.734 1.547 1.00 0.00 C ATOM 411 C CYS A 29 -1.757 -14.561 1.469 1.00 0.00 C ATOM 412 O CYS A 29 -2.560 -14.385 0.573 1.00 0.00 O ATOM 413 CB CYS A 29 -0.822 -12.266 1.778 1.00 0.00 C ATOM 414 SG CYS A 29 0.354 -11.269 2.727 1.00 0.00 S ATOM 0 H CYS A 29 -0.209 -14.255 -0.512 1.00 0.00 H new ATOM 0 HA CYS A 29 0.136 -14.103 2.374 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.955 -11.794 0.805 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.785 -12.226 2.286 1.00 0.00 H new ATOM 419 N THR A 30 -1.925 -15.446 2.412 1.00 0.00 N ATOM 420 CA THR A 30 -3.152 -16.296 2.410 1.00 0.00 C ATOM 421 C THR A 30 -4.385 -15.443 2.731 1.00 0.00 C ATOM 422 O THR A 30 -5.477 -15.955 2.869 1.00 0.00 O ATOM 423 CB THR A 30 -3.000 -17.394 3.465 1.00 0.00 C ATOM 424 OG1 THR A 30 -2.977 -16.701 4.709 1.00 0.00 O ATOM 425 CG2 THR A 30 -1.644 -18.084 3.360 1.00 0.00 C ATOM 0 H THR A 30 -1.274 -15.618 3.178 1.00 0.00 H new ATOM 0 HA THR A 30 -3.280 -16.743 1.424 1.00 0.00 H new ATOM 0 HB THR A 30 -3.793 -18.133 3.352 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.883 -17.346 5.441 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.570 -18.858 4.124 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.541 -18.536 2.374 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.851 -17.351 3.507 1.00 0.00 H new ATOM 433 N ARG A 31 -4.180 -14.159 2.844 1.00 0.00 N ATOM 434 CA ARG A 31 -5.329 -13.258 3.155 1.00 0.00 C ATOM 435 C ARG A 31 -6.162 -13.012 1.893 1.00 0.00 C ATOM 436 O ARG A 31 -5.729 -13.304 0.796 1.00 0.00 O ATOM 437 CB ARG A 31 -4.793 -11.928 3.680 1.00 0.00 C ATOM 438 CG ARG A 31 -4.281 -12.121 5.108 1.00 0.00 C ATOM 439 CD ARG A 31 -5.319 -11.576 6.091 1.00 0.00 C ATOM 440 NE ARG A 31 -4.904 -11.931 7.478 1.00 0.00 N ATOM 441 CZ ARG A 31 -4.951 -13.179 7.861 1.00 0.00 C ATOM 442 NH1 ARG A 31 -5.506 -14.059 7.074 1.00 0.00 N ATOM 443 NH2 ARG A 31 -4.440 -13.502 9.017 1.00 0.00 N ATOM 0 H ARG A 31 -3.277 -13.697 2.736 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.961 -13.727 3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.989 -11.567 3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.579 -11.173 3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.098 -13.178 5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.331 -11.604 5.240 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.404 -10.494 5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.301 -11.995 5.873 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.586 -11.206 8.122 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.894 -13.768 6.177 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.552 -15.038 7.356 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.013 -12.785 9.604 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.467 -14.471 9.334 1.00 0.00 H new ATOM 457 N GLU A 32 -7.341 -12.477 2.077 1.00 0.00 N ATOM 458 CA GLU A 32 -8.218 -12.203 0.902 1.00 0.00 C ATOM 459 C GLU A 32 -8.161 -10.719 0.536 1.00 0.00 C ATOM 460 O GLU A 32 -7.534 -10.339 -0.433 1.00 0.00 O ATOM 461 CB GLU A 32 -9.656 -12.586 1.252 1.00 0.00 C ATOM 462 CG GLU A 32 -9.732 -14.098 1.467 1.00 0.00 C ATOM 463 CD GLU A 32 -11.162 -14.483 1.856 1.00 0.00 C ATOM 464 OE1 GLU A 32 -11.477 -14.289 3.018 1.00 0.00 O ATOM 465 OE2 GLU A 32 -11.857 -14.948 0.967 1.00 0.00 O ATOM 0 H GLU A 32 -7.732 -12.220 2.983 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.873 -12.790 0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.977 -12.061 2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.331 -12.286 0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.437 -14.621 0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.036 -14.401 2.249 1.00 0.00 H new ATOM 472 N CYS A 33 -8.815 -9.912 1.325 1.00 0.00 N ATOM 473 CA CYS A 33 -8.815 -8.445 1.042 1.00 0.00 C ATOM 474 C CYS A 33 -9.491 -7.686 2.191 1.00 0.00 C ATOM 475 O CYS A 33 -10.688 -7.786 2.380 1.00 0.00 O ATOM 476 CB CYS A 33 -9.585 -8.182 -0.255 1.00 0.00 C ATOM 477 SG CYS A 33 -8.673 -8.323 -1.814 1.00 0.00 S ATOM 0 H CYS A 33 -9.346 -10.199 2.147 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.786 -8.101 0.942 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.425 -8.875 -0.293 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.003 -7.177 -0.200 1.00 0.00 H new ATOM 482 N LYS A 34 -8.713 -6.945 2.933 1.00 0.00 N ATOM 483 CA LYS A 34 -9.310 -6.177 4.066 1.00 0.00 C ATOM 484 C LYS A 34 -10.452 -5.285 3.529 1.00 0.00 C ATOM 485 O LYS A 34 -10.483 -4.971 2.356 1.00 0.00 O ATOM 486 CB LYS A 34 -8.221 -5.308 4.700 1.00 0.00 C ATOM 487 CG LYS A 34 -7.673 -6.015 5.944 1.00 0.00 C ATOM 488 CD LYS A 34 -6.571 -5.157 6.568 1.00 0.00 C ATOM 489 CE LYS A 34 -6.123 -5.797 7.884 1.00 0.00 C ATOM 490 NZ LYS A 34 -4.659 -6.075 7.858 1.00 0.00 N ATOM 0 H LYS A 34 -7.706 -6.838 2.808 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.713 -6.859 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.418 -5.131 3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.628 -4.334 4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.474 -6.180 6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.279 -6.995 5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.727 -5.074 5.884 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.937 -4.146 6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.358 -5.134 8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.672 -6.724 8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.372 -6.509 8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.443 -6.725 7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.139 -5.185 7.722 1.00 0.00 H new ATOM 504 N PRO A 35 -11.374 -4.888 4.397 1.00 0.00 N ATOM 505 CA PRO A 35 -12.498 -4.044 3.973 1.00 0.00 C ATOM 506 C PRO A 35 -11.985 -2.762 3.270 1.00 0.00 C ATOM 507 O PRO A 35 -10.821 -2.428 3.362 1.00 0.00 O ATOM 508 CB PRO A 35 -13.248 -3.692 5.266 1.00 0.00 C ATOM 509 CG PRO A 35 -12.519 -4.413 6.439 1.00 0.00 C ATOM 510 CD PRO A 35 -11.367 -5.233 5.832 1.00 0.00 C ATOM 0 HA PRO A 35 -13.142 -4.554 3.256 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.255 -2.614 5.424 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.288 -4.012 5.206 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.137 -3.687 7.157 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.209 -5.062 6.978 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.414 -4.979 6.295 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.520 -6.302 5.983 1.00 0.00 H new ATOM 518 N PRO A 36 -12.881 -2.071 2.579 1.00 0.00 N ATOM 519 CA PRO A 36 -12.525 -0.832 1.866 1.00 0.00 C ATOM 520 C PRO A 36 -11.938 0.213 2.824 1.00 0.00 C ATOM 521 O PRO A 36 -12.488 0.464 3.877 1.00 0.00 O ATOM 522 CB PRO A 36 -13.845 -0.315 1.283 1.00 0.00 C ATOM 523 CG PRO A 36 -14.963 -1.318 1.688 1.00 0.00 C ATOM 524 CD PRO A 36 -14.296 -2.466 2.461 1.00 0.00 C ATOM 0 HA PRO A 36 -11.770 -1.018 1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.068 0.681 1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.778 -0.233 0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.714 -0.826 2.305 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.476 -1.698 0.804 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.752 -2.599 3.442 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.399 -3.412 1.930 1.00 0.00 H new ATOM 532 N ARG A 37 -10.839 0.811 2.429 1.00 0.00 N ATOM 533 CA ARG A 37 -10.204 1.850 3.308 1.00 0.00 C ATOM 534 C ARG A 37 -8.935 2.405 2.643 1.00 0.00 C ATOM 535 O ARG A 37 -8.386 1.798 1.752 1.00 0.00 O ATOM 536 CB ARG A 37 -9.837 1.206 4.655 1.00 0.00 C ATOM 537 CG ARG A 37 -8.850 2.106 5.407 1.00 0.00 C ATOM 538 CD ARG A 37 -8.801 1.674 6.874 1.00 0.00 C ATOM 539 NE ARG A 37 -7.427 1.908 7.402 1.00 0.00 N ATOM 540 CZ ARG A 37 -6.585 0.913 7.462 1.00 0.00 C ATOM 541 NH1 ARG A 37 -6.635 -0.011 6.541 1.00 0.00 N ATOM 542 NH2 ARG A 37 -5.722 0.874 8.440 1.00 0.00 N ATOM 0 H ARG A 37 -10.358 0.629 1.548 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.906 2.669 3.463 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.735 1.056 5.254 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.395 0.223 4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.859 2.034 4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.158 3.149 5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.530 2.237 7.457 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.065 0.621 6.965 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.147 2.838 7.714 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.324 0.053 5.792 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.985 -0.797 6.571 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.713 1.614 9.142 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.056 0.104 8.502 1.00 0.00 H new ATOM 556 N CYS A 38 -8.511 3.563 3.081 1.00 0.00 N ATOM 557 CA CYS A 38 -7.260 4.148 2.502 1.00 0.00 C ATOM 558 C CYS A 38 -6.069 3.254 2.863 1.00 0.00 C ATOM 559 O CYS A 38 -5.870 2.928 4.016 1.00 0.00 O ATOM 560 CB CYS A 38 -7.042 5.551 3.077 1.00 0.00 C ATOM 561 SG CYS A 38 -8.069 6.894 2.426 1.00 0.00 S ATOM 0 H CYS A 38 -8.967 4.122 3.802 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.351 4.211 1.418 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.199 5.500 4.154 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.998 5.820 2.919 1.00 0.00 H new ATOM 566 N GLU A 39 -5.297 2.874 1.877 1.00 0.00 N ATOM 567 CA GLU A 39 -4.128 1.986 2.179 1.00 0.00 C ATOM 568 C GLU A 39 -3.080 2.039 1.059 1.00 0.00 C ATOM 569 O GLU A 39 -3.132 2.884 0.187 1.00 0.00 O ATOM 570 CB GLU A 39 -4.627 0.551 2.337 1.00 0.00 C ATOM 571 CG GLU A 39 -4.215 0.024 3.712 1.00 0.00 C ATOM 572 CD GLU A 39 -4.708 -1.417 3.868 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.012 -2.284 3.367 1.00 0.00 O ATOM 574 OE2 GLU A 39 -5.753 -1.567 4.480 1.00 0.00 O ATOM 0 H GLU A 39 -5.418 3.131 0.897 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.657 2.333 3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.711 0.517 2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.210 -0.080 1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.131 0.064 3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.637 0.652 4.497 1.00 0.00 H new ATOM 581 N CYS A 40 -2.147 1.120 1.118 1.00 0.00 N ATOM 582 CA CYS A 40 -1.067 1.079 0.083 1.00 0.00 C ATOM 583 C CYS A 40 -1.567 0.386 -1.192 1.00 0.00 C ATOM 584 O CYS A 40 -2.531 -0.354 -1.161 1.00 0.00 O ATOM 585 CB CYS A 40 0.124 0.305 0.652 1.00 0.00 C ATOM 586 SG CYS A 40 1.782 0.873 0.203 1.00 0.00 S ATOM 0 H CYS A 40 -2.087 0.398 1.836 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.772 2.097 -0.172 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.046 0.320 1.739 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.029 -0.735 0.340 1.00 0.00 H new ATOM 591 N ILE A 41 -0.891 0.641 -2.289 1.00 0.00 N ATOM 592 CA ILE A 41 -1.312 0.014 -3.587 1.00 0.00 C ATOM 593 C ILE A 41 -0.084 -0.478 -4.368 1.00 0.00 C ATOM 594 O ILE A 41 0.734 0.309 -4.802 1.00 0.00 O ATOM 595 CB ILE A 41 -2.051 1.057 -4.430 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.196 1.664 -3.613 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.619 0.385 -5.684 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.717 2.975 -2.981 1.00 0.00 C ATOM 0 H ILE A 41 -0.074 1.250 -2.343 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.963 -0.834 -3.375 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.358 1.847 -4.719 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.059 1.848 -4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.516 0.967 -2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.146 1.125 -6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.804 -0.044 -6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.311 -0.404 -5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.526 3.414 -2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.866 2.775 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.418 3.669 -3.766 1.00 0.00 H new ATOM 610 N ALA A 42 0.013 -1.769 -4.540 1.00 0.00 N ATOM 611 CA ALA A 42 1.179 -2.319 -5.299 1.00 0.00 C ATOM 612 C ALA A 42 0.988 -2.084 -6.800 1.00 0.00 C ATOM 613 O ALA A 42 1.928 -1.793 -7.513 1.00 0.00 O ATOM 614 CB ALA A 42 1.291 -3.821 -5.035 1.00 0.00 C ATOM 0 H ALA A 42 -0.653 -2.460 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 42 2.088 -1.815 -4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.140 -4.225 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.436 -3.993 -3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.377 -4.317 -5.361 1.00 0.00 H new ATOM 620 N SER A 43 -0.233 -2.215 -7.247 1.00 0.00 N ATOM 621 CA SER A 43 -0.510 -2.011 -8.699 1.00 0.00 C ATOM 622 C SER A 43 0.000 -0.640 -9.151 1.00 0.00 C ATOM 623 O SER A 43 0.125 -0.383 -10.333 1.00 0.00 O ATOM 624 CB SER A 43 -2.016 -2.097 -8.935 1.00 0.00 C ATOM 625 OG SER A 43 -2.358 -0.824 -9.464 1.00 0.00 O ATOM 0 H SER A 43 -1.044 -2.452 -6.675 1.00 0.00 H new ATOM 0 HA SER A 43 0.003 -2.782 -9.273 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.265 -2.898 -9.631 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.553 -2.301 -8.009 1.00 0.00 H new ATOM 0 HG SER A 43 -3.320 -0.794 -9.648 1.00 0.00 H new ATOM 631 N ALA A 44 0.284 0.212 -8.203 1.00 0.00 N ATOM 632 CA ALA A 44 0.785 1.571 -8.566 1.00 0.00 C ATOM 633 C ALA A 44 2.310 1.615 -8.458 1.00 0.00 C ATOM 634 O ALA A 44 2.977 2.168 -9.309 1.00 0.00 O ATOM 635 CB ALA A 44 0.182 2.597 -7.610 1.00 0.00 C ATOM 0 H ALA A 44 0.193 0.030 -7.204 1.00 0.00 H new ATOM 0 HA ALA A 44 0.494 1.799 -9.591 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.543 3.592 -7.869 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.905 2.574 -7.689 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.476 2.359 -6.588 1.00 0.00 H new ATOM 641 N GLY A 45 2.824 1.025 -7.411 1.00 0.00 N ATOM 642 CA GLY A 45 4.308 1.016 -7.219 1.00 0.00 C ATOM 643 C GLY A 45 4.666 1.368 -5.770 1.00 0.00 C ATOM 644 O GLY A 45 5.816 1.607 -5.454 1.00 0.00 O ATOM 0 H GLY A 45 2.287 0.552 -6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.707 0.033 -7.469 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.773 1.731 -7.898 1.00 0.00 H new ATOM 648 N PHE A 46 3.675 1.398 -4.921 1.00 0.00 N ATOM 649 CA PHE A 46 3.947 1.729 -3.492 1.00 0.00 C ATOM 650 C PHE A 46 4.402 0.473 -2.742 1.00 0.00 C ATOM 651 O PHE A 46 3.899 -0.606 -2.980 1.00 0.00 O ATOM 652 CB PHE A 46 2.673 2.276 -2.854 1.00 0.00 C ATOM 653 CG PHE A 46 2.304 3.606 -3.520 1.00 0.00 C ATOM 654 CD1 PHE A 46 2.974 4.770 -3.182 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.296 3.661 -4.466 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.638 5.967 -3.783 1.00 0.00 C ATOM 657 CE2 PHE A 46 0.963 4.860 -5.062 1.00 0.00 C ATOM 658 CZ PHE A 46 1.634 6.011 -4.722 1.00 0.00 C ATOM 0 H PHE A 46 2.699 1.210 -5.151 1.00 0.00 H new ATOM 0 HA PHE A 46 4.737 2.478 -3.437 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.859 1.560 -2.969 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.822 2.421 -1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.763 4.741 -2.445 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.767 2.760 -4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.165 6.871 -3.515 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.173 4.895 -5.798 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.373 6.948 -5.191 1.00 0.00 H new ATOM 668 N VAL A 47 5.351 0.648 -1.853 1.00 0.00 N ATOM 669 CA VAL A 47 5.866 -0.527 -1.077 1.00 0.00 C ATOM 670 C VAL A 47 5.880 -0.221 0.422 1.00 0.00 C ATOM 671 O VAL A 47 5.825 0.922 0.827 1.00 0.00 O ATOM 672 CB VAL A 47 7.284 -0.841 -1.537 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.221 -1.635 -2.838 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.036 0.469 -1.782 1.00 0.00 C ATOM 0 H VAL A 47 5.788 1.543 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 47 5.211 -1.381 -1.253 1.00 0.00 H new ATOM 0 HB VAL A 47 7.800 -1.423 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.232 -1.864 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.675 -2.564 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.710 -1.046 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.052 0.249 -2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.522 1.045 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.071 1.047 -0.858 1.00 0.00 H new ATOM 684 N ARG A 48 5.955 -1.258 1.214 1.00 0.00 N ATOM 685 CA ARG A 48 5.973 -1.056 2.691 1.00 0.00 C ATOM 686 C ARG A 48 7.415 -0.941 3.194 1.00 0.00 C ATOM 687 O ARG A 48 8.189 -1.871 3.087 1.00 0.00 O ATOM 688 CB ARG A 48 5.292 -2.247 3.367 1.00 0.00 C ATOM 689 CG ARG A 48 3.837 -2.334 2.895 1.00 0.00 C ATOM 690 CD ARG A 48 2.954 -1.514 3.837 1.00 0.00 C ATOM 691 NE ARG A 48 2.776 -2.268 5.110 1.00 0.00 N ATOM 692 CZ ARG A 48 1.657 -2.903 5.328 1.00 0.00 C ATOM 693 NH1 ARG A 48 1.173 -3.669 4.389 1.00 0.00 N ATOM 694 NH2 ARG A 48 1.058 -2.751 6.479 1.00 0.00 N ATOM 0 H ARG A 48 6.004 -2.229 0.904 1.00 0.00 H new ATOM 0 HA ARG A 48 5.442 -0.135 2.933 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.821 -3.169 3.124 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.329 -2.135 4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.750 -1.958 1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.508 -3.373 2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.412 -0.544 4.034 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.986 -1.322 3.374 1.00 0.00 H new ATOM 0 HE ARG A 48 3.522 -2.288 5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.668 -3.764 3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.299 -4.173 4.542 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.466 -2.144 7.190 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.183 -3.240 6.667 1.00 0.00 H new ATOM 708 N ASP A 49 7.744 0.201 3.738 1.00 0.00 N ATOM 709 CA ASP A 49 9.128 0.388 4.259 1.00 0.00 C ATOM 710 C ASP A 49 9.330 -0.458 5.512 1.00 0.00 C ATOM 711 O ASP A 49 8.407 -0.666 6.277 1.00 0.00 O ATOM 712 CB ASP A 49 9.342 1.855 4.609 1.00 0.00 C ATOM 713 CG ASP A 49 10.830 2.189 4.486 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.555 1.761 5.369 1.00 0.00 O ATOM 715 OD2 ASP A 49 11.158 2.854 3.519 1.00 0.00 O ATOM 0 H ASP A 49 7.122 1.003 3.843 1.00 0.00 H new ATOM 0 HA ASP A 49 9.842 0.080 3.495 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.758 2.489 3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.995 2.054 5.623 1.00 0.00 H new ATOM 720 N ALA A 50 10.537 -0.913 5.702 1.00 0.00 N ATOM 721 CA ALA A 50 10.829 -1.753 6.897 1.00 0.00 C ATOM 722 C ALA A 50 10.260 -1.096 8.151 1.00 0.00 C ATOM 723 O ALA A 50 9.992 -1.755 9.136 1.00 0.00 O ATOM 724 CB ALA A 50 12.341 -1.906 7.042 1.00 0.00 C ATOM 0 H ALA A 50 11.331 -0.741 5.085 1.00 0.00 H new ATOM 0 HA ALA A 50 10.367 -2.732 6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.563 -2.520 7.915 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.746 -2.384 6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.796 -0.923 7.165 1.00 0.00 H new ATOM 730 N GLN A 51 10.088 0.193 8.087 1.00 0.00 N ATOM 731 CA GLN A 51 9.535 0.913 9.269 1.00 0.00 C ATOM 732 C GLN A 51 8.007 0.866 9.232 1.00 0.00 C ATOM 733 O GLN A 51 7.341 1.677 9.844 1.00 0.00 O ATOM 734 CB GLN A 51 10.006 2.368 9.234 1.00 0.00 C ATOM 735 CG GLN A 51 11.534 2.408 9.328 1.00 0.00 C ATOM 736 CD GLN A 51 12.133 2.116 7.951 1.00 0.00 C ATOM 737 OE1 GLN A 51 12.321 0.977 7.573 1.00 0.00 O ATOM 738 NE2 GLN A 51 12.447 3.114 7.171 1.00 0.00 N ATOM 0 H GLN A 51 10.303 0.775 7.278 1.00 0.00 H new ATOM 0 HA GLN A 51 9.884 0.436 10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.674 2.848 8.313 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.565 2.925 10.060 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.863 3.386 9.680 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.885 1.673 10.053 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.292 4.073 7.482 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.848 2.935 6.250 1.00 0.00 H new ATOM 747 N GLY A 52 7.486 -0.088 8.511 1.00 0.00 N ATOM 748 CA GLY A 52 6.008 -0.206 8.414 1.00 0.00 C ATOM 749 C GLY A 52 5.414 1.084 7.852 1.00 0.00 C ATOM 750 O GLY A 52 4.396 1.553 8.324 1.00 0.00 O ATOM 0 H GLY A 52 8.017 -0.785 7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.744 -1.047 7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.586 -0.411 9.398 1.00 0.00 H new ATOM 754 N ASN A 53 6.066 1.630 6.852 1.00 0.00 N ATOM 755 CA ASN A 53 5.554 2.905 6.239 1.00 0.00 C ATOM 756 C ASN A 53 5.391 2.751 4.723 1.00 0.00 C ATOM 757 O ASN A 53 6.349 2.535 4.013 1.00 0.00 O ATOM 758 CB ASN A 53 6.538 4.035 6.527 1.00 0.00 C ATOM 759 CG ASN A 53 6.441 4.426 8.003 1.00 0.00 C ATOM 760 OD1 ASN A 53 5.614 5.227 8.392 1.00 0.00 O ATOM 761 ND2 ASN A 53 7.267 3.887 8.857 1.00 0.00 N ATOM 0 H ASN A 53 6.919 1.257 6.436 1.00 0.00 H new ATOM 0 HA ASN A 53 4.581 3.135 6.674 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.553 3.718 6.289 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.316 4.895 5.896 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.216 4.139 9.844 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.964 3.214 8.538 1.00 0.00 H new ATOM 768 N CYS A 54 4.176 2.881 4.266 1.00 0.00 N ATOM 769 CA CYS A 54 3.923 2.745 2.799 1.00 0.00 C ATOM 770 C CYS A 54 4.505 3.946 2.047 1.00 0.00 C ATOM 771 O CYS A 54 4.113 5.072 2.275 1.00 0.00 O ATOM 772 CB CYS A 54 2.416 2.670 2.558 1.00 0.00 C ATOM 773 SG CYS A 54 1.840 2.784 0.847 1.00 0.00 S ATOM 0 H CYS A 54 3.353 3.074 4.837 1.00 0.00 H new ATOM 0 HA CYS A 54 4.403 1.837 2.433 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.055 1.729 2.973 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.944 3.471 3.127 1.00 0.00 H new ATOM 778 N ILE A 55 5.430 3.679 1.164 1.00 0.00 N ATOM 779 CA ILE A 55 6.046 4.799 0.391 1.00 0.00 C ATOM 780 C ILE A 55 6.412 4.338 -1.026 1.00 0.00 C ATOM 781 O ILE A 55 6.644 3.171 -1.263 1.00 0.00 O ATOM 782 CB ILE A 55 7.310 5.277 1.115 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.313 4.116 1.226 1.00 0.00 C ATOM 784 CG2 ILE A 55 6.933 5.748 2.520 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.578 4.608 1.936 1.00 0.00 C ATOM 0 H ILE A 55 5.783 2.747 0.946 1.00 0.00 H new ATOM 0 HA ILE A 55 5.327 5.615 0.318 1.00 0.00 H new ATOM 0 HB ILE A 55 7.762 6.096 0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.870 3.288 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.562 3.739 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.827 6.090 3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.219 6.568 2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.484 4.922 3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.292 3.788 2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.023 5.422 1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.320 4.964 2.933 1.00 0.00 H new ATOM 797 N LYS A 56 6.453 5.273 -1.934 1.00 0.00 N ATOM 798 CA LYS A 56 6.814 4.917 -3.340 1.00 0.00 C ATOM 799 C LYS A 56 8.069 4.034 -3.363 1.00 0.00 C ATOM 800 O LYS A 56 8.830 4.004 -2.418 1.00 0.00 O ATOM 801 CB LYS A 56 7.095 6.197 -4.129 1.00 0.00 C ATOM 802 CG LYS A 56 5.856 7.092 -4.102 1.00 0.00 C ATOM 803 CD LYS A 56 6.250 8.506 -4.533 1.00 0.00 C ATOM 804 CE LYS A 56 5.021 9.414 -4.459 1.00 0.00 C ATOM 805 NZ LYS A 56 5.060 10.434 -5.544 1.00 0.00 N ATOM 0 H LYS A 56 6.255 6.260 -1.769 1.00 0.00 H new ATOM 0 HA LYS A 56 5.984 4.371 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.947 6.723 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.358 5.953 -5.158 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.091 6.695 -4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.427 7.110 -3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.040 8.889 -3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.647 8.493 -5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.114 8.816 -4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.985 9.908 -3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.219 11.042 -5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.916 11.016 -5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.072 9.957 -6.468 1.00 0.00 H new ATOM 819 N PHE A 57 8.252 3.331 -4.450 1.00 0.00 N ATOM 820 CA PHE A 57 9.455 2.451 -4.566 1.00 0.00 C ATOM 821 C PHE A 57 10.723 3.309 -4.674 1.00 0.00 C ATOM 822 O PHE A 57 11.747 2.983 -4.111 1.00 0.00 O ATOM 823 CB PHE A 57 9.319 1.590 -5.825 1.00 0.00 C ATOM 824 CG PHE A 57 9.771 0.156 -5.531 1.00 0.00 C ATOM 825 CD1 PHE A 57 11.020 -0.092 -4.985 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.936 -0.915 -5.810 1.00 0.00 C ATOM 827 CE1 PHE A 57 11.424 -1.385 -4.725 1.00 0.00 C ATOM 828 CE2 PHE A 57 9.345 -2.207 -5.548 1.00 0.00 C ATOM 829 CZ PHE A 57 10.587 -2.440 -5.006 1.00 0.00 C ATOM 0 H PHE A 57 7.627 3.327 -5.256 1.00 0.00 H new ATOM 0 HA PHE A 57 9.528 1.817 -3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.284 1.591 -6.166 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.920 2.012 -6.630 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.681 0.732 -4.762 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.959 -0.737 -6.235 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.400 -1.570 -4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.689 -3.036 -5.769 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.905 -3.451 -4.801 1.00 0.00 H new ATOM 839 N GLU A 58 10.622 4.394 -5.394 1.00 0.00 N ATOM 840 CA GLU A 58 11.813 5.282 -5.558 1.00 0.00 C ATOM 841 C GLU A 58 12.213 5.899 -4.214 1.00 0.00 C ATOM 842 O GLU A 58 13.234 6.551 -4.109 1.00 0.00 O ATOM 843 CB GLU A 58 11.472 6.396 -6.547 1.00 0.00 C ATOM 844 CG GLU A 58 10.688 7.490 -5.820 1.00 0.00 C ATOM 845 CD GLU A 58 9.886 8.301 -6.839 1.00 0.00 C ATOM 846 OE1 GLU A 58 10.528 9.037 -7.570 1.00 0.00 O ATOM 847 OE2 GLU A 58 8.678 8.139 -6.831 1.00 0.00 O ATOM 0 H GLU A 58 9.776 4.703 -5.872 1.00 0.00 H new ATOM 0 HA GLU A 58 12.648 4.690 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.385 6.810 -6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.883 5.998 -7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.018 7.045 -5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.371 8.142 -5.276 1.00 0.00 H new ATOM 854 N ASP A 59 11.402 5.680 -3.214 1.00 0.00 N ATOM 855 CA ASP A 59 11.721 6.249 -1.870 1.00 0.00 C ATOM 856 C ASP A 59 12.375 5.180 -0.991 1.00 0.00 C ATOM 857 O ASP A 59 12.287 5.226 0.221 1.00 0.00 O ATOM 858 CB ASP A 59 10.429 6.728 -1.211 1.00 0.00 C ATOM 859 CG ASP A 59 10.023 8.074 -1.814 1.00 0.00 C ATOM 860 OD1 ASP A 59 10.454 8.321 -2.928 1.00 0.00 O ATOM 861 OD2 ASP A 59 9.304 8.781 -1.127 1.00 0.00 O ATOM 0 H ASP A 59 10.540 5.137 -3.267 1.00 0.00 H new ATOM 0 HA ASP A 59 12.411 7.085 -1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.637 5.995 -1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.571 6.827 -0.135 1.00 0.00 H new ATOM 866 N CYS A 60 13.020 4.239 -1.622 1.00 0.00 N ATOM 867 CA CYS A 60 13.684 3.153 -0.843 1.00 0.00 C ATOM 868 C CYS A 60 15.179 3.488 -0.633 1.00 0.00 C ATOM 869 O CYS A 60 15.738 4.290 -1.353 1.00 0.00 O ATOM 870 CB CYS A 60 13.563 1.853 -1.629 1.00 0.00 C ATOM 871 SG CYS A 60 12.293 0.690 -1.100 1.00 0.00 S ATOM 0 H CYS A 60 13.117 4.173 -2.635 1.00 0.00 H new ATOM 0 HA CYS A 60 13.206 3.054 0.132 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.377 2.105 -2.673 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.526 1.343 -1.590 1.00 0.00 H new ATOM 876 N PRO A 61 15.801 2.861 0.361 1.00 0.00 N ATOM 877 CA PRO A 61 17.226 3.092 0.635 1.00 0.00 C ATOM 878 C PRO A 61 18.072 2.804 -0.611 1.00 0.00 C ATOM 879 O PRO A 61 17.553 2.672 -1.700 1.00 0.00 O ATOM 880 CB PRO A 61 17.586 2.116 1.763 1.00 0.00 C ATOM 881 CG PRO A 61 16.291 1.328 2.127 1.00 0.00 C ATOM 882 CD PRO A 61 15.149 1.895 1.267 1.00 0.00 C ATOM 0 HA PRO A 61 17.420 4.128 0.914 1.00 0.00 H new ATOM 0 HB2 PRO A 61 18.374 1.434 1.444 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.964 2.655 2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.423 0.263 1.935 1.00 0.00 H new ATOM 0 HG3 PRO A 61 16.062 1.435 3.187 1.00 0.00 H new ATOM 0 HD2 PRO A 61 14.646 1.106 0.708 1.00 0.00 H new ATOM 0 HD3 PRO A 61 14.393 2.380 1.884 1.00 0.00 H new ATOM 890 N LYS A 62 19.360 2.713 -0.421 1.00 0.00 N ATOM 891 CA LYS A 62 20.254 2.433 -1.584 1.00 0.00 C ATOM 892 C LYS A 62 19.746 1.213 -2.358 1.00 0.00 C ATOM 893 O LYS A 62 20.220 1.042 -3.470 1.00 0.00 O ATOM 894 CB LYS A 62 21.668 2.161 -1.071 1.00 0.00 C ATOM 895 CG LYS A 62 21.646 0.930 -0.165 1.00 0.00 C ATOM 896 CD LYS A 62 22.461 1.222 1.098 1.00 0.00 C ATOM 897 CE LYS A 62 23.896 1.569 0.700 1.00 0.00 C ATOM 898 NZ LYS A 62 24.867 0.868 1.588 1.00 0.00 N ATOM 899 OXT LYS A 62 18.917 0.519 -1.794 1.00 0.00 O ATOM 0 H LYS A 62 19.830 2.819 0.478 1.00 0.00 H new ATOM 0 HA LYS A 62 20.260 3.295 -2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 62 22.347 1.999 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.041 3.025 -0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 62 20.620 0.677 0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 62 22.061 0.070 -0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 62 22.014 2.048 1.651 1.00 0.00 H new ATOM 0 HD3 LYS A 62 22.453 0.355 1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 62 24.071 1.284 -0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 62 24.047 2.647 0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 25.837 1.114 1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 24.710 1.160 2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 24.733 -0.160 1.506 1.00 0.00 H new TER 913 LYS A 62