USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 406 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 MET CE :methyl 146:sc= -0.208 (180deg=-2.31) USER MOD Set 1.2: A 55 TYR OH : rot 130:sc= -0.0579 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= 0.488 (180deg=0.259) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= 0.8 (180deg=0.497) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 168:sc= 1.13 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 58:sc= 0.161 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 1:sc= 0.869 USER MOD Single : A 66 MET CE :methyl -171:sc= -0.117 (180deg=-0.244) USER MOD Single : A 72 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 11.295 4.047 16.889 1.00 0.00 N ATOM 2 CA GLY A 19 10.432 3.332 15.924 1.00 0.00 C ATOM 3 C GLY A 19 9.826 2.101 16.572 1.00 0.00 C ATOM 4 O GLY A 19 10.466 1.051 16.623 1.00 0.00 O ATOM 0 HA2 GLY A 19 9.640 3.994 15.574 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.015 3.042 15.050 1.00 0.00 H new ATOM 10 N ASP A 20 8.608 2.230 17.112 1.00 0.00 N ATOM 11 CA ASP A 20 8.030 1.293 18.097 1.00 0.00 C ATOM 12 C ASP A 20 6.596 0.822 17.756 1.00 0.00 C ATOM 13 O ASP A 20 5.998 0.046 18.511 1.00 0.00 O ATOM 14 CB ASP A 20 8.080 1.961 19.486 1.00 0.00 C ATOM 15 CG ASP A 20 9.517 2.272 19.943 1.00 0.00 C ATOM 16 OD1 ASP A 20 10.075 3.318 19.525 1.00 0.00 O ATOM 17 OD2 ASP A 20 10.095 1.473 20.719 1.00 0.00 O ATOM 0 H ASP A 20 7.982 3.000 16.876 1.00 0.00 H new ATOM 0 HA ASP A 20 8.630 0.383 18.081 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.503 2.885 19.461 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.604 1.307 20.217 1.00 0.00 H new ATOM 22 N LYS A 21 6.030 1.277 16.628 1.00 0.00 N ATOM 23 CA LYS A 21 4.685 0.911 16.143 1.00 0.00 C ATOM 24 C LYS A 21 4.630 -0.539 15.632 1.00 0.00 C ATOM 25 O LYS A 21 5.647 -1.127 15.256 1.00 0.00 O ATOM 26 CB LYS A 21 4.244 1.883 15.026 1.00 0.00 C ATOM 27 CG LYS A 21 3.764 3.264 15.509 1.00 0.00 C ATOM 28 CD LYS A 21 4.874 4.198 16.018 1.00 0.00 C ATOM 29 CE LYS A 21 4.299 5.600 16.259 1.00 0.00 C ATOM 30 NZ LYS A 21 5.339 6.554 16.727 1.00 0.00 N ATOM 0 H LYS A 21 6.508 1.930 16.007 1.00 0.00 H new ATOM 0 HA LYS A 21 3.999 0.987 16.987 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.079 2.026 14.340 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.441 1.416 14.456 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.243 3.758 14.689 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.037 3.120 16.308 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.299 3.805 16.942 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.684 4.247 15.290 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.853 5.973 15.337 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.500 5.542 16.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.910 7.489 16.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.747 6.212 17.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.089 6.629 16.010 1.00 0.00 H new ATOM 44 N GLU A 22 3.423 -1.102 15.572 1.00 0.00 N ATOM 45 CA GLU A 22 3.138 -2.394 14.925 1.00 0.00 C ATOM 46 C GLU A 22 3.191 -2.296 13.383 1.00 0.00 C ATOM 47 O GLU A 22 3.073 -1.211 12.807 1.00 0.00 O ATOM 48 CB GLU A 22 1.753 -2.903 15.365 1.00 0.00 C ATOM 49 CG GLU A 22 1.687 -3.227 16.864 1.00 0.00 C ATOM 50 CD GLU A 22 0.305 -3.790 17.247 1.00 0.00 C ATOM 51 OE1 GLU A 22 0.110 -5.029 17.191 1.00 0.00 O ATOM 52 OE2 GLU A 22 -0.598 -2.998 17.617 1.00 0.00 O ATOM 0 H GLU A 22 2.595 -0.667 15.979 1.00 0.00 H new ATOM 0 HA GLU A 22 3.911 -3.096 15.238 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.002 -2.150 15.127 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.501 -3.796 14.793 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.461 -3.951 17.118 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.890 -2.327 17.444 1.00 0.00 H new ATOM 59 N GLU A 23 3.323 -3.440 12.703 1.00 0.00 N ATOM 60 CA GLU A 23 3.342 -3.566 11.235 1.00 0.00 C ATOM 61 C GLU A 23 2.560 -4.812 10.774 1.00 0.00 C ATOM 62 O GLU A 23 2.674 -5.883 11.379 1.00 0.00 O ATOM 63 CB GLU A 23 4.795 -3.668 10.724 1.00 0.00 C ATOM 64 CG GLU A 23 5.647 -2.418 10.987 1.00 0.00 C ATOM 65 CD GLU A 23 7.072 -2.596 10.423 1.00 0.00 C ATOM 66 OE1 GLU A 23 7.303 -2.295 9.225 1.00 0.00 O ATOM 67 OE2 GLU A 23 7.981 -3.034 11.173 1.00 0.00 O ATOM 0 H GLU A 23 3.424 -4.339 13.174 1.00 0.00 H new ATOM 0 HA GLU A 23 2.867 -2.676 10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.274 -4.526 11.196 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.778 -3.862 9.652 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.176 -1.549 10.529 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.697 -2.226 12.059 1.00 0.00 H new ATOM 74 N CYS A 24 1.787 -4.690 9.689 1.00 0.00 N ATOM 75 CA CYS A 24 1.144 -5.826 9.012 1.00 0.00 C ATOM 76 C CYS A 24 2.119 -6.573 8.071 1.00 0.00 C ATOM 77 O CYS A 24 3.206 -6.081 7.754 1.00 0.00 O ATOM 78 CB CYS A 24 -0.073 -5.330 8.213 1.00 0.00 C ATOM 79 SG CYS A 24 -1.409 -4.545 9.160 1.00 0.00 S ATOM 0 H CYS A 24 1.587 -3.791 9.250 1.00 0.00 H new ATOM 0 HA CYS A 24 0.826 -6.531 9.780 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.278 -4.618 7.466 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -0.493 -6.178 7.672 1.00 0.00 H new ATOM 84 N THR A 25 1.694 -7.734 7.557 1.00 0.00 N ATOM 85 CA THR A 25 2.349 -8.477 6.460 1.00 0.00 C ATOM 86 C THR A 25 1.326 -8.979 5.429 1.00 0.00 C ATOM 87 O THR A 25 0.131 -9.084 5.717 1.00 0.00 O ATOM 88 CB THR A 25 3.187 -9.666 6.980 1.00 0.00 C ATOM 89 OG1 THR A 25 2.420 -10.523 7.801 1.00 0.00 O ATOM 90 CG2 THR A 25 4.412 -9.222 7.782 1.00 0.00 C ATOM 0 H THR A 25 0.856 -8.203 7.902 1.00 0.00 H new ATOM 0 HA THR A 25 3.023 -7.771 5.975 1.00 0.00 H new ATOM 0 HB THR A 25 3.518 -10.194 6.086 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.979 -11.265 8.112 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.962 -10.100 8.122 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.058 -8.610 7.152 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.090 -8.639 8.645 1.00 0.00 H new ATOM 98 N VAL A 26 1.789 -9.284 4.211 1.00 0.00 N ATOM 99 CA VAL A 26 0.974 -9.857 3.121 1.00 0.00 C ATOM 100 C VAL A 26 0.785 -11.376 3.312 1.00 0.00 C ATOM 101 O VAL A 26 1.777 -12.081 3.529 1.00 0.00 O ATOM 102 CB VAL A 26 1.589 -9.524 1.739 1.00 0.00 C ATOM 103 CG1 VAL A 26 3.081 -9.857 1.583 1.00 0.00 C ATOM 104 CG2 VAL A 26 0.839 -10.172 0.585 1.00 0.00 C ATOM 0 H VAL A 26 2.763 -9.138 3.945 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.015 -9.400 3.157 1.00 0.00 H new ATOM 0 HB VAL A 26 1.487 -8.440 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.412 -9.585 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.658 -9.297 2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.234 -10.925 1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.317 -9.902 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.856 -11.255 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.194 -9.823 0.581 1.00 0.00 H new ATOM 114 N PRO A 27 -0.449 -11.919 3.228 1.00 0.00 N ATOM 115 CA PRO A 27 -0.671 -13.366 3.208 1.00 0.00 C ATOM 116 C PRO A 27 -0.191 -13.979 1.881 1.00 0.00 C ATOM 117 O PRO A 27 -0.364 -13.392 0.809 1.00 0.00 O ATOM 118 CB PRO A 27 -2.179 -13.545 3.410 1.00 0.00 C ATOM 119 CG PRO A 27 -2.773 -12.274 2.805 1.00 0.00 C ATOM 120 CD PRO A 27 -1.721 -11.212 3.121 1.00 0.00 C ATOM 0 HA PRO A 27 -0.106 -13.879 3.986 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.548 -14.439 2.908 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.434 -13.644 4.465 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.933 -12.376 1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.738 -12.030 3.249 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.682 -10.457 2.336 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.958 -10.694 4.050 1.00 0.00 H new ATOM 128 N ILE A 28 0.410 -15.172 1.941 1.00 0.00 N ATOM 129 CA ILE A 28 0.960 -15.866 0.765 1.00 0.00 C ATOM 130 C ILE A 28 -0.099 -16.086 -0.334 1.00 0.00 C ATOM 131 O ILE A 28 -1.235 -16.486 -0.062 1.00 0.00 O ATOM 132 CB ILE A 28 1.682 -17.180 1.151 1.00 0.00 C ATOM 133 CG1 ILE A 28 0.800 -18.152 1.972 1.00 0.00 C ATOM 134 CG2 ILE A 28 2.983 -16.835 1.900 1.00 0.00 C ATOM 135 CD1 ILE A 28 1.423 -19.542 2.159 1.00 0.00 C ATOM 0 H ILE A 28 0.531 -15.689 2.812 1.00 0.00 H new ATOM 0 HA ILE A 28 1.715 -15.205 0.339 1.00 0.00 H new ATOM 0 HB ILE A 28 1.912 -17.714 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.608 -17.715 2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.165 -18.260 1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.499 -17.755 2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.627 -16.238 1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.745 -16.268 2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.748 -20.167 2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.590 -20.000 1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.374 -19.447 2.682 1.00 0.00 H new ATOM 147 N GLY A 29 0.279 -15.799 -1.583 1.00 0.00 N ATOM 148 CA GLY A 29 -0.573 -15.904 -2.775 1.00 0.00 C ATOM 149 C GLY A 29 -1.165 -14.580 -3.285 1.00 0.00 C ATOM 150 O GLY A 29 -1.742 -14.564 -4.377 1.00 0.00 O ATOM 0 H GLY A 29 1.221 -15.475 -1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.010 -16.354 -3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.393 -16.587 -2.555 1.00 0.00 H new ATOM 154 N TRP A 30 -1.022 -13.464 -2.557 1.00 0.00 N ATOM 155 CA TRP A 30 -1.326 -12.121 -3.051 1.00 0.00 C ATOM 156 C TRP A 30 -0.185 -11.620 -3.966 1.00 0.00 C ATOM 157 O TRP A 30 0.972 -12.026 -3.809 1.00 0.00 O ATOM 158 CB TRP A 30 -1.538 -11.223 -1.823 1.00 0.00 C ATOM 159 CG TRP A 30 -1.867 -9.798 -2.112 1.00 0.00 C ATOM 160 CD1 TRP A 30 -0.942 -8.886 -2.460 1.00 0.00 C ATOM 161 CD2 TRP A 30 -3.142 -9.085 -2.050 1.00 0.00 C ATOM 162 NE1 TRP A 30 -1.551 -7.667 -2.677 1.00 0.00 N ATOM 163 CE2 TRP A 30 -2.900 -7.720 -2.395 1.00 0.00 C ATOM 164 CE3 TRP A 30 -4.466 -9.437 -1.707 1.00 0.00 C ATOM 165 CZ2 TRP A 30 -3.914 -6.749 -2.373 1.00 0.00 C ATOM 166 CZ3 TRP A 30 -5.495 -8.473 -1.696 1.00 0.00 C ATOM 167 CH2 TRP A 30 -5.221 -7.132 -2.023 1.00 0.00 C ATOM 0 H TRP A 30 -0.686 -13.473 -1.594 1.00 0.00 H new ATOM 0 HA TRP A 30 -2.229 -12.111 -3.661 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.341 -11.647 -1.220 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.634 -11.252 -1.215 1.00 0.00 H new ATOM 0 HD1 TRP A 30 0.116 -9.078 -2.555 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.065 -6.832 -3.005 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -4.694 -10.461 -1.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -3.693 -5.721 -2.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -6.501 -8.766 -1.435 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -6.013 -6.398 -2.005 1.00 0.00 H new ATOM 178 N SER A 31 -0.483 -10.727 -4.917 1.00 0.00 N ATOM 179 CA SER A 31 0.495 -10.155 -5.863 1.00 0.00 C ATOM 180 C SER A 31 1.350 -9.047 -5.217 1.00 0.00 C ATOM 181 O SER A 31 1.175 -7.850 -5.455 1.00 0.00 O ATOM 182 CB SER A 31 -0.231 -9.669 -7.122 1.00 0.00 C ATOM 183 OG SER A 31 0.674 -9.460 -8.197 1.00 0.00 O ATOM 0 H SER A 31 -1.429 -10.372 -5.057 1.00 0.00 H new ATOM 0 HA SER A 31 1.197 -10.938 -6.151 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.983 -10.402 -7.415 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.759 -8.741 -6.903 1.00 0.00 H new ATOM 0 HG SER A 31 0.180 -9.152 -8.985 1.00 0.00 H new ATOM 189 N GLU A 32 2.266 -9.460 -4.341 1.00 0.00 N ATOM 190 CA GLU A 32 3.180 -8.591 -3.580 1.00 0.00 C ATOM 191 C GLU A 32 4.227 -7.853 -4.457 1.00 0.00 C ATOM 192 O GLU A 32 4.591 -8.355 -5.529 1.00 0.00 O ATOM 193 CB GLU A 32 3.857 -9.424 -2.472 1.00 0.00 C ATOM 194 CG GLU A 32 4.837 -10.490 -2.985 1.00 0.00 C ATOM 195 CD GLU A 32 5.392 -11.337 -1.824 1.00 0.00 C ATOM 196 OE1 GLU A 32 6.294 -10.860 -1.094 1.00 0.00 O ATOM 197 OE2 GLU A 32 4.944 -12.496 -1.643 1.00 0.00 O ATOM 0 H GLU A 32 2.401 -10.449 -4.130 1.00 0.00 H new ATOM 0 HA GLU A 32 2.581 -7.795 -3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.391 -8.749 -1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.084 -9.914 -1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.333 -11.137 -3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.660 -10.008 -3.513 1.00 0.00 H new ATOM 204 N PRO A 33 4.757 -6.688 -4.021 1.00 0.00 N ATOM 205 CA PRO A 33 5.819 -5.975 -4.736 1.00 0.00 C ATOM 206 C PRO A 33 7.190 -6.646 -4.532 1.00 0.00 C ATOM 207 O PRO A 33 7.462 -7.234 -3.481 1.00 0.00 O ATOM 208 CB PRO A 33 5.797 -4.554 -4.158 1.00 0.00 C ATOM 209 CG PRO A 33 5.348 -4.769 -2.714 1.00 0.00 C ATOM 210 CD PRO A 33 4.372 -5.939 -2.830 1.00 0.00 C ATOM 0 HA PRO A 33 5.656 -5.979 -5.814 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.779 -4.084 -4.208 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.107 -3.909 -4.702 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.188 -5.007 -2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.867 -3.881 -2.304 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.418 -6.571 -1.943 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.346 -5.581 -2.913 1.00 0.00 H new ATOM 218 N VAL A 34 8.081 -6.517 -5.522 1.00 0.00 N ATOM 219 CA VAL A 34 9.443 -7.094 -5.521 1.00 0.00 C ATOM 220 C VAL A 34 10.448 -6.059 -6.054 1.00 0.00 C ATOM 221 O VAL A 34 10.865 -6.103 -7.215 1.00 0.00 O ATOM 222 CB VAL A 34 9.500 -8.439 -6.289 1.00 0.00 C ATOM 223 CG1 VAL A 34 10.850 -9.142 -6.070 1.00 0.00 C ATOM 224 CG2 VAL A 34 8.414 -9.432 -5.844 1.00 0.00 C ATOM 0 H VAL A 34 7.875 -5.994 -6.373 1.00 0.00 H new ATOM 0 HA VAL A 34 9.724 -7.332 -4.495 1.00 0.00 H new ATOM 0 HB VAL A 34 9.348 -8.174 -7.335 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.864 -10.083 -6.620 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.656 -8.501 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.989 -9.341 -5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.506 -10.354 -6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.535 -9.652 -4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.430 -8.995 -6.015 1.00 0.00 H new ATOM 234 N LYS A 35 10.801 -5.081 -5.205 1.00 0.00 N ATOM 235 CA LYS A 35 11.708 -3.954 -5.530 1.00 0.00 C ATOM 236 C LYS A 35 12.604 -3.458 -4.390 1.00 0.00 C ATOM 237 O LYS A 35 13.665 -2.883 -4.641 1.00 0.00 O ATOM 238 CB LYS A 35 10.872 -2.783 -6.082 1.00 0.00 C ATOM 239 CG LYS A 35 9.916 -2.099 -5.079 1.00 0.00 C ATOM 240 CD LYS A 35 10.506 -0.838 -4.411 1.00 0.00 C ATOM 241 CE LYS A 35 10.064 0.476 -5.073 1.00 0.00 C ATOM 242 NZ LYS A 35 10.479 0.595 -6.495 1.00 0.00 N ATOM 0 H LYS A 35 10.457 -5.046 -4.245 1.00 0.00 H new ATOM 0 HA LYS A 35 12.404 -4.349 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.554 -2.029 -6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.283 -3.148 -6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.996 -1.827 -5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.645 -2.816 -4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.212 -0.822 -3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.594 -0.899 -4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.979 0.557 -5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.478 1.313 -4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.996 1.407 -6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.508 0.736 -6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.223 -0.274 -7.005 1.00 0.00 H new ATOM 256 N GLY A 36 12.153 -3.606 -3.148 1.00 0.00 N ATOM 257 CA GLY A 36 12.717 -2.924 -1.982 1.00 0.00 C ATOM 258 C GLY A 36 11.654 -2.468 -0.978 1.00 0.00 C ATOM 259 O GLY A 36 10.480 -2.826 -1.087 1.00 0.00 O ATOM 0 H GLY A 36 11.369 -4.216 -2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.417 -3.593 -1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.287 -2.057 -2.316 1.00 0.00 H new ATOM 263 N LEU A 37 12.075 -1.657 -0.006 1.00 0.00 N ATOM 264 CA LEU A 37 11.268 -1.043 1.048 1.00 0.00 C ATOM 265 C LEU A 37 11.667 0.436 1.165 1.00 0.00 C ATOM 266 O LEU A 37 12.804 0.758 1.515 1.00 0.00 O ATOM 267 CB LEU A 37 11.470 -1.793 2.381 1.00 0.00 C ATOM 268 CG LEU A 37 10.914 -3.230 2.421 1.00 0.00 C ATOM 269 CD1 LEU A 37 11.331 -3.906 3.728 1.00 0.00 C ATOM 270 CD2 LEU A 37 9.385 -3.267 2.342 1.00 0.00 C ATOM 0 H LEU A 37 13.058 -1.394 0.070 1.00 0.00 H new ATOM 0 HA LEU A 37 10.208 -1.107 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.537 -1.828 2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.999 -1.217 3.178 1.00 0.00 H new ATOM 0 HG LEU A 37 11.321 -3.750 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.937 -4.922 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.419 -3.937 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.935 -3.341 4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.044 -4.302 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.964 -2.720 3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.058 -2.806 1.410 1.00 0.00 H new ATOM 282 N CYS A 38 10.736 1.326 0.819 1.00 0.00 N ATOM 283 CA CYS A 38 10.855 2.793 0.898 1.00 0.00 C ATOM 284 C CYS A 38 11.984 3.397 0.026 1.00 0.00 C ATOM 285 O CYS A 38 12.543 4.449 0.349 1.00 0.00 O ATOM 286 CB CYS A 38 10.934 3.217 2.374 1.00 0.00 C ATOM 287 SG CYS A 38 9.485 2.622 3.301 1.00 0.00 S ATOM 0 H CYS A 38 9.829 1.033 0.456 1.00 0.00 H new ATOM 0 HA CYS A 38 9.954 3.218 0.456 1.00 0.00 H new ATOM 0 HB2 CYS A 38 11.845 2.820 2.822 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.993 4.303 2.442 1.00 0.00 H new ATOM 0 HG CYS A 38 9.582 2.994 4.543 1.00 0.00 H new ATOM 293 N LYS A 39 12.313 2.736 -1.096 1.00 0.00 N ATOM 294 CA LYS A 39 13.292 3.179 -2.115 1.00 0.00 C ATOM 295 C LYS A 39 13.002 4.597 -2.635 1.00 0.00 C ATOM 296 O LYS A 39 13.886 5.454 -2.613 1.00 0.00 O ATOM 297 CB LYS A 39 13.334 2.179 -3.290 1.00 0.00 C ATOM 298 CG LYS A 39 13.920 0.793 -2.965 1.00 0.00 C ATOM 299 CD LYS A 39 15.447 0.823 -2.770 1.00 0.00 C ATOM 300 CE LYS A 39 16.063 -0.577 -2.606 1.00 0.00 C ATOM 301 NZ LYS A 39 16.039 -1.378 -3.863 1.00 0.00 N ATOM 0 H LYS A 39 11.888 1.839 -1.332 1.00 0.00 H new ATOM 0 HA LYS A 39 14.267 3.209 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.320 2.045 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.918 2.620 -4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.450 0.408 -2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.674 0.101 -3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.907 1.317 -3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.683 1.422 -1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.094 -0.476 -2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.522 -1.116 -1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.787 -2.100 -3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.114 -1.843 -3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.199 -0.751 -4.677 1.00 0.00 H new ATOM 315 N ALA A 40 11.773 4.837 -3.105 1.00 0.00 N ATOM 316 CA ALA A 40 11.272 6.151 -3.525 1.00 0.00 C ATOM 317 C ALA A 40 10.541 6.890 -2.381 1.00 0.00 C ATOM 318 O ALA A 40 10.216 6.303 -1.343 1.00 0.00 O ATOM 319 CB ALA A 40 10.357 5.956 -4.746 1.00 0.00 C ATOM 0 H ALA A 40 11.077 4.098 -3.207 1.00 0.00 H new ATOM 0 HA ALA A 40 12.117 6.784 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.975 6.923 -5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.924 5.498 -5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.523 5.309 -4.476 1.00 0.00 H new ATOM 325 N ARG A 41 10.244 8.179 -2.598 1.00 0.00 N ATOM 326 CA ARG A 41 9.573 9.097 -1.649 1.00 0.00 C ATOM 327 C ARG A 41 8.127 9.467 -2.029 1.00 0.00 C ATOM 328 O ARG A 41 7.510 10.302 -1.365 1.00 0.00 O ATOM 329 CB ARG A 41 10.495 10.308 -1.371 1.00 0.00 C ATOM 330 CG ARG A 41 10.864 11.203 -2.573 1.00 0.00 C ATOM 331 CD ARG A 41 9.836 12.295 -2.916 1.00 0.00 C ATOM 332 NE ARG A 41 9.742 13.325 -1.860 1.00 0.00 N ATOM 333 CZ ARG A 41 10.507 14.391 -1.699 1.00 0.00 C ATOM 334 NH1 ARG A 41 11.489 14.676 -2.509 1.00 0.00 N ATOM 335 NH2 ARG A 41 10.302 15.205 -0.703 1.00 0.00 N ATOM 0 H ARG A 41 10.473 8.638 -3.480 1.00 0.00 H new ATOM 0 HA ARG A 41 9.427 8.562 -0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.014 10.933 -0.619 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.420 9.935 -0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 41 11.823 11.680 -2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 41 11.003 10.569 -3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.112 12.768 -3.859 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.858 11.837 -3.063 1.00 0.00 H new ATOM 0 HE ARG A 41 8.998 13.198 -1.174 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.690 14.066 -3.302 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.056 15.509 -2.350 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.548 15.022 -0.042 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.896 16.026 -0.585 1.00 0.00 H new ATOM 349 N PHE A 42 7.591 8.860 -3.091 1.00 0.00 N ATOM 350 CA PHE A 42 6.266 9.114 -3.673 1.00 0.00 C ATOM 351 C PHE A 42 5.630 7.803 -4.185 1.00 0.00 C ATOM 352 O PHE A 42 6.028 7.261 -5.220 1.00 0.00 O ATOM 353 CB PHE A 42 6.378 10.197 -4.768 1.00 0.00 C ATOM 354 CG PHE A 42 7.273 9.868 -5.957 1.00 0.00 C ATOM 355 CD1 PHE A 42 8.675 9.933 -5.840 1.00 0.00 C ATOM 356 CD2 PHE A 42 6.703 9.475 -7.185 1.00 0.00 C ATOM 357 CE1 PHE A 42 9.500 9.577 -6.920 1.00 0.00 C ATOM 358 CE2 PHE A 42 7.526 9.117 -8.267 1.00 0.00 C ATOM 359 CZ PHE A 42 8.925 9.159 -8.132 1.00 0.00 C ATOM 0 H PHE A 42 8.098 8.135 -3.599 1.00 0.00 H new ATOM 0 HA PHE A 42 5.595 9.496 -2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.377 10.409 -5.142 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.746 11.113 -4.306 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.120 10.259 -4.912 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.629 9.449 -7.295 1.00 0.00 H new ATOM 0 HE1 PHE A 42 10.574 9.625 -6.819 1.00 0.00 H new ATOM 0 HE2 PHE A 42 7.083 8.809 -9.203 1.00 0.00 H new ATOM 0 HZ PHE A 42 9.557 8.870 -8.959 1.00 0.00 H new ATOM 369 N THR A 43 4.675 7.237 -3.439 1.00 0.00 N ATOM 370 CA THR A 43 4.010 5.956 -3.765 1.00 0.00 C ATOM 371 C THR A 43 2.568 5.916 -3.228 1.00 0.00 C ATOM 372 O THR A 43 2.242 6.619 -2.268 1.00 0.00 O ATOM 373 CB THR A 43 4.831 4.779 -3.192 1.00 0.00 C ATOM 374 OG1 THR A 43 6.196 4.860 -3.551 1.00 0.00 O ATOM 375 CG2 THR A 43 4.341 3.433 -3.713 1.00 0.00 C ATOM 0 H THR A 43 4.332 7.658 -2.576 1.00 0.00 H new ATOM 0 HA THR A 43 3.959 5.866 -4.850 1.00 0.00 H new ATOM 0 HB THR A 43 4.705 4.851 -2.112 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.681 4.099 -3.168 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.947 2.635 -3.284 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.298 3.290 -3.429 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.427 3.410 -4.799 1.00 0.00 H new ATOM 383 N ARG A 44 1.690 5.099 -3.837 1.00 0.00 N ATOM 384 CA ARG A 44 0.312 4.845 -3.370 1.00 0.00 C ATOM 385 C ARG A 44 0.259 3.871 -2.185 1.00 0.00 C ATOM 386 O ARG A 44 1.190 3.094 -1.955 1.00 0.00 O ATOM 387 CB ARG A 44 -0.554 4.312 -4.533 1.00 0.00 C ATOM 388 CG ARG A 44 -1.365 5.402 -5.221 1.00 0.00 C ATOM 389 CD ARG A 44 -0.549 6.299 -6.151 1.00 0.00 C ATOM 390 NE ARG A 44 -1.395 7.437 -6.513 1.00 0.00 N ATOM 391 CZ ARG A 44 -1.302 8.287 -7.513 1.00 0.00 C ATOM 392 NH1 ARG A 44 -0.361 8.222 -8.410 1.00 0.00 N ATOM 393 NH2 ARG A 44 -2.185 9.235 -7.610 1.00 0.00 N ATOM 0 H ARG A 44 1.922 4.585 -4.687 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.086 5.797 -3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.091 3.829 -5.267 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.232 3.548 -4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.166 4.936 -5.795 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.838 6.022 -4.460 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.361 6.639 -5.656 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.242 5.750 -7.041 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.185 7.597 -5.888 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.346 7.489 -8.355 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.330 8.904 -9.168 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.931 9.309 -6.919 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.132 9.905 -8.377 1.00 0.00 H new ATOM 407 N TYR A 45 -0.863 3.890 -1.463 1.00 0.00 N ATOM 408 CA TYR A 45 -1.083 3.121 -0.231 1.00 0.00 C ATOM 409 C TYR A 45 -2.431 2.382 -0.283 1.00 0.00 C ATOM 410 O TYR A 45 -3.496 2.999 -0.207 1.00 0.00 O ATOM 411 CB TYR A 45 -0.965 4.037 1.002 1.00 0.00 C ATOM 412 CG TYR A 45 0.303 4.880 1.107 1.00 0.00 C ATOM 413 CD1 TYR A 45 1.579 4.324 0.882 1.00 0.00 C ATOM 414 CD2 TYR A 45 0.202 6.241 1.453 1.00 0.00 C ATOM 415 CE1 TYR A 45 2.736 5.121 0.983 1.00 0.00 C ATOM 416 CE2 TYR A 45 1.352 7.048 1.548 1.00 0.00 C ATOM 417 CZ TYR A 45 2.626 6.488 1.308 1.00 0.00 C ATOM 418 OH TYR A 45 3.748 7.253 1.401 1.00 0.00 O ATOM 0 H TYR A 45 -1.669 4.457 -1.725 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.307 2.360 -0.145 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.823 4.709 1.011 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.037 3.417 1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.670 3.278 0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.769 6.671 1.648 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.709 4.684 0.811 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.260 8.093 1.804 1.00 0.00 H new ATOM 0 HH TYR A 45 3.499 8.172 1.632 1.00 0.00 H new ATOM 428 N TYR A 46 -2.398 1.055 -0.444 1.00 0.00 N ATOM 429 CA TYR A 46 -3.565 0.214 -0.752 1.00 0.00 C ATOM 430 C TYR A 46 -3.903 -0.757 0.384 1.00 0.00 C ATOM 431 O TYR A 46 -3.073 -1.563 0.810 1.00 0.00 O ATOM 432 CB TYR A 46 -3.318 -0.552 -2.058 1.00 0.00 C ATOM 433 CG TYR A 46 -3.137 0.284 -3.323 1.00 0.00 C ATOM 434 CD1 TYR A 46 -3.818 1.506 -3.517 1.00 0.00 C ATOM 435 CD2 TYR A 46 -2.290 -0.197 -4.338 1.00 0.00 C ATOM 436 CE1 TYR A 46 -3.642 2.234 -4.711 1.00 0.00 C ATOM 437 CE2 TYR A 46 -2.103 0.530 -5.529 1.00 0.00 C ATOM 438 CZ TYR A 46 -2.785 1.746 -5.719 1.00 0.00 C ATOM 439 OH TYR A 46 -2.644 2.436 -6.879 1.00 0.00 O ATOM 0 H TYR A 46 -1.534 0.518 -0.362 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.426 0.873 -0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.428 -1.168 -1.928 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.155 -1.232 -2.217 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.476 1.884 -2.748 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -1.776 -1.137 -4.202 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -4.165 3.168 -4.854 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -1.439 0.156 -6.294 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.886 2.075 -7.384 1.00 0.00 H new ATOM 449 N CYS A 47 -5.134 -0.661 0.891 1.00 0.00 N ATOM 450 CA CYS A 47 -5.656 -1.518 1.961 1.00 0.00 C ATOM 451 C CYS A 47 -5.825 -2.976 1.501 1.00 0.00 C ATOM 452 O CYS A 47 -6.523 -3.251 0.521 1.00 0.00 O ATOM 453 CB CYS A 47 -6.952 -0.940 2.531 1.00 0.00 C ATOM 454 SG CYS A 47 -7.484 -1.831 4.017 1.00 0.00 S ATOM 0 H CYS A 47 -5.811 0.028 0.563 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.919 -1.536 2.764 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.807 0.113 2.770 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.736 -0.990 1.776 1.00 0.00 H new ATOM 459 N MET A 48 -5.168 -3.902 2.208 1.00 0.00 N ATOM 460 CA MET A 48 -5.063 -5.323 1.825 1.00 0.00 C ATOM 461 C MET A 48 -5.194 -6.342 2.973 1.00 0.00 C ATOM 462 O MET A 48 -5.323 -7.542 2.717 1.00 0.00 O ATOM 463 CB MET A 48 -3.734 -5.535 1.086 1.00 0.00 C ATOM 464 CG MET A 48 -2.492 -5.103 1.894 1.00 0.00 C ATOM 465 SD MET A 48 -1.193 -6.352 2.116 1.00 0.00 S ATOM 466 CE MET A 48 -1.016 -6.895 0.402 1.00 0.00 C ATOM 0 H MET A 48 -4.684 -3.686 3.079 1.00 0.00 H new ATOM 0 HA MET A 48 -5.925 -5.522 1.189 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.638 -6.589 0.827 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.758 -4.978 0.149 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.051 -4.236 1.403 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.823 -4.777 2.880 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.025 -7.154 0.208 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.646 -7.768 0.230 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.320 -6.091 -0.268 1.00 0.00 H new ATOM 476 N GLY A 49 -5.174 -5.895 4.232 1.00 0.00 N ATOM 477 CA GLY A 49 -5.180 -6.774 5.410 1.00 0.00 C ATOM 478 C GLY A 49 -4.889 -6.004 6.694 1.00 0.00 C ATOM 479 O GLY A 49 -3.798 -6.109 7.250 1.00 0.00 O ATOM 0 H GLY A 49 -5.153 -4.903 4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.150 -7.264 5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.436 -7.560 5.281 1.00 0.00 H new ATOM 483 N ASN A 50 -5.853 -5.183 7.124 1.00 0.00 N ATOM 484 CA ASN A 50 -5.827 -4.293 8.292 1.00 0.00 C ATOM 485 C ASN A 50 -4.734 -3.193 8.292 1.00 0.00 C ATOM 486 O ASN A 50 -4.693 -2.386 9.218 1.00 0.00 O ATOM 487 CB ASN A 50 -5.861 -5.118 9.594 1.00 0.00 C ATOM 488 CG ASN A 50 -7.005 -6.121 9.666 1.00 0.00 C ATOM 489 OD1 ASN A 50 -6.965 -7.203 9.097 1.00 0.00 O ATOM 490 ND2 ASN A 50 -8.063 -5.811 10.382 1.00 0.00 N ATOM 0 H ASN A 50 -6.741 -5.118 6.626 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.740 -3.701 8.224 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.917 -5.652 9.697 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.936 -4.436 10.441 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.838 -6.470 10.458 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.109 -4.912 10.861 1.00 0.00 H new ATOM 497 N CYS A 51 -3.918 -3.090 7.239 1.00 0.00 N ATOM 498 CA CYS A 51 -3.079 -1.934 6.905 1.00 0.00 C ATOM 499 C CYS A 51 -3.248 -1.567 5.417 1.00 0.00 C ATOM 500 O CYS A 51 -3.629 -2.414 4.600 1.00 0.00 O ATOM 501 CB CYS A 51 -1.595 -2.236 7.187 1.00 0.00 C ATOM 502 SG CYS A 51 -1.089 -2.552 8.904 1.00 0.00 S ATOM 0 H CYS A 51 -3.819 -3.847 6.563 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.395 -1.097 7.527 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.314 -3.106 6.593 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.009 -1.395 6.818 1.00 0.00 H new ATOM 507 N CYS A 52 -2.884 -0.331 5.055 1.00 0.00 N ATOM 508 CA CYS A 52 -2.714 0.122 3.673 1.00 0.00 C ATOM 509 C CYS A 52 -1.225 0.162 3.281 1.00 0.00 C ATOM 510 O CYS A 52 -0.522 1.147 3.509 1.00 0.00 O ATOM 511 CB CYS A 52 -3.488 1.424 3.408 1.00 0.00 C ATOM 512 SG CYS A 52 -3.498 2.704 4.690 1.00 0.00 S ATOM 0 H CYS A 52 -2.694 0.402 5.738 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.165 -0.609 3.002 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.085 1.870 2.499 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.524 1.157 3.199 1.00 0.00 H new ATOM 517 N LYS A 53 -0.739 -0.958 2.726 1.00 0.00 N ATOM 518 CA LYS A 53 0.663 -1.186 2.335 1.00 0.00 C ATOM 519 C LYS A 53 1.092 -0.298 1.156 1.00 0.00 C ATOM 520 O LYS A 53 0.271 0.087 0.323 1.00 0.00 O ATOM 521 CB LYS A 53 0.834 -2.679 1.992 1.00 0.00 C ATOM 522 CG LYS A 53 2.305 -3.068 1.755 1.00 0.00 C ATOM 523 CD LYS A 53 2.591 -4.562 1.943 1.00 0.00 C ATOM 524 CE LYS A 53 4.086 -4.803 1.682 1.00 0.00 C ATOM 525 NZ LYS A 53 4.515 -6.169 2.080 1.00 0.00 N ATOM 0 H LYS A 53 -1.334 -1.763 2.529 1.00 0.00 H new ATOM 0 HA LYS A 53 1.310 -0.914 3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.429 -3.283 2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.252 -2.912 1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.589 -2.778 0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.936 -2.499 2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.326 -4.875 2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.985 -5.154 1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.297 -4.653 0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.672 -4.066 2.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.530 -6.285 1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.340 -6.306 3.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.976 -6.874 1.538 1.00 0.00 H new ATOM 539 N VAL A 54 2.393 -0.020 1.060 1.00 0.00 N ATOM 540 CA VAL A 54 3.037 0.668 -0.070 1.00 0.00 C ATOM 541 C VAL A 54 2.996 -0.165 -1.362 1.00 0.00 C ATOM 542 O VAL A 54 3.480 -1.297 -1.403 1.00 0.00 O ATOM 543 CB VAL A 54 4.459 1.118 0.327 1.00 0.00 C ATOM 544 CG1 VAL A 54 5.495 -0.008 0.433 1.00 0.00 C ATOM 545 CG2 VAL A 54 5.004 2.158 -0.647 1.00 0.00 C ATOM 0 H VAL A 54 3.056 -0.276 1.792 1.00 0.00 H new ATOM 0 HA VAL A 54 2.465 1.566 -0.302 1.00 0.00 H new ATOM 0 HB VAL A 54 4.324 1.534 1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.460 0.411 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.175 -0.727 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.587 -0.510 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.007 2.454 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.043 1.732 -1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.352 3.032 -0.649 1.00 0.00 H new ATOM 555 N TYR A 55 2.393 0.389 -2.415 1.00 0.00 N ATOM 556 CA TYR A 55 2.240 -0.235 -3.733 1.00 0.00 C ATOM 557 C TYR A 55 2.452 0.774 -4.869 1.00 0.00 C ATOM 558 O TYR A 55 1.763 1.791 -4.958 1.00 0.00 O ATOM 559 CB TYR A 55 0.847 -0.863 -3.834 1.00 0.00 C ATOM 560 CG TYR A 55 0.783 -2.301 -3.362 1.00 0.00 C ATOM 561 CD1 TYR A 55 1.035 -3.338 -4.281 1.00 0.00 C ATOM 562 CD2 TYR A 55 0.510 -2.603 -2.014 1.00 0.00 C ATOM 563 CE1 TYR A 55 1.056 -4.672 -3.842 1.00 0.00 C ATOM 564 CE2 TYR A 55 0.553 -3.937 -1.565 1.00 0.00 C ATOM 565 CZ TYR A 55 0.847 -4.969 -2.481 1.00 0.00 C ATOM 566 OH TYR A 55 0.978 -6.248 -2.047 1.00 0.00 O ATOM 0 H TYR A 55 1.981 1.321 -2.373 1.00 0.00 H new ATOM 0 HA TYR A 55 3.004 -1.006 -3.839 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.148 -0.267 -3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.513 -0.817 -4.871 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.212 -3.108 -5.321 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.267 -1.810 -1.323 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.232 -5.470 -4.548 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.362 -4.168 -0.527 1.00 0.00 H new ATOM 0 HH TYR A 55 1.562 -6.268 -1.261 1.00 0.00 H new ATOM 576 N GLU A 56 3.408 0.490 -5.754 1.00 0.00 N ATOM 577 CA GLU A 56 3.621 1.254 -6.990 1.00 0.00 C ATOM 578 C GLU A 56 2.543 0.949 -8.052 1.00 0.00 C ATOM 579 O GLU A 56 2.026 -0.170 -8.137 1.00 0.00 O ATOM 580 CB GLU A 56 5.011 0.940 -7.567 1.00 0.00 C ATOM 581 CG GLU A 56 6.153 1.341 -6.624 1.00 0.00 C ATOM 582 CD GLU A 56 7.518 1.148 -7.307 1.00 0.00 C ATOM 583 OE1 GLU A 56 7.878 -0.002 -7.652 1.00 0.00 O ATOM 584 OE2 GLU A 56 8.284 2.132 -7.448 1.00 0.00 O ATOM 0 H GLU A 56 4.063 -0.283 -5.635 1.00 0.00 H new ATOM 0 HA GLU A 56 3.551 2.312 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.079 -0.127 -7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.131 1.461 -8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.035 2.382 -6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.108 0.741 -5.715 1.00 0.00 H new ATOM 591 N GLY A 57 2.253 1.935 -8.908 1.00 0.00 N ATOM 592 CA GLY A 57 1.319 1.827 -10.038 1.00 0.00 C ATOM 593 C GLY A 57 -0.164 1.704 -9.658 1.00 0.00 C ATOM 594 O GLY A 57 -0.545 1.585 -8.491 1.00 0.00 O ATOM 0 H GLY A 57 2.675 2.861 -8.832 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.442 2.704 -10.674 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.597 0.958 -10.635 1.00 0.00 H new ATOM 598 N CYS A 58 -1.029 1.717 -10.673 1.00 0.00 N ATOM 599 CA CYS A 58 -2.492 1.624 -10.576 1.00 0.00 C ATOM 600 C CYS A 58 -3.023 0.184 -10.386 1.00 0.00 C ATOM 601 O CYS A 58 -4.064 -0.182 -10.938 1.00 0.00 O ATOM 602 CB CYS A 58 -3.095 2.337 -11.799 1.00 0.00 C ATOM 603 SG CYS A 58 -2.419 1.687 -13.362 1.00 0.00 S ATOM 0 H CYS A 58 -0.713 1.797 -11.640 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.814 2.124 -9.663 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.178 2.216 -11.793 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.894 3.406 -11.732 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.644 0.409 -13.434 1.00 0.00 H new ATOM 609 N TYR A 59 -2.332 -0.637 -9.584 1.00 0.00 N ATOM 610 CA TYR A 59 -2.708 -2.024 -9.262 1.00 0.00 C ATOM 611 C TYR A 59 -4.166 -2.169 -8.765 1.00 0.00 C ATOM 612 O TYR A 59 -4.845 -3.143 -9.096 1.00 0.00 O ATOM 613 CB TYR A 59 -1.709 -2.583 -8.236 1.00 0.00 C ATOM 614 CG TYR A 59 -2.083 -3.948 -7.689 1.00 0.00 C ATOM 615 CD1 TYR A 59 -1.954 -5.092 -8.501 1.00 0.00 C ATOM 616 CD2 TYR A 59 -2.620 -4.062 -6.392 1.00 0.00 C ATOM 617 CE1 TYR A 59 -2.374 -6.349 -8.021 1.00 0.00 C ATOM 618 CE2 TYR A 59 -3.041 -5.315 -5.912 1.00 0.00 C ATOM 619 CZ TYR A 59 -2.923 -6.464 -6.724 1.00 0.00 C ATOM 620 OH TYR A 59 -3.359 -7.669 -6.261 1.00 0.00 O ATOM 0 H TYR A 59 -1.468 -0.347 -9.126 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.663 -2.604 -10.184 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.725 -2.646 -8.700 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.625 -1.881 -7.406 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.533 -5.006 -9.492 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.709 -3.187 -5.766 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.276 -7.225 -8.645 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.456 -5.399 -4.918 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.705 -7.564 -5.350 1.00 0.00 H new ATOM 630 N THR A 60 -4.667 -1.173 -8.022 1.00 0.00 N ATOM 631 CA THR A 60 -6.095 -1.042 -7.661 1.00 0.00 C ATOM 632 C THR A 60 -6.597 0.414 -7.618 1.00 0.00 C ATOM 633 O THR A 60 -7.782 0.665 -7.848 1.00 0.00 O ATOM 634 CB THR A 60 -6.395 -1.807 -6.354 1.00 0.00 C ATOM 635 OG1 THR A 60 -7.781 -1.854 -6.082 1.00 0.00 O ATOM 636 CG2 THR A 60 -5.711 -1.223 -5.119 1.00 0.00 C ATOM 0 H THR A 60 -4.088 -0.422 -7.647 1.00 0.00 H new ATOM 0 HA THR A 60 -6.665 -1.504 -8.467 1.00 0.00 H new ATOM 0 HB THR A 60 -5.995 -2.804 -6.536 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.934 -2.347 -5.249 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.972 -1.817 -4.243 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.630 -1.240 -5.260 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.042 -0.195 -4.972 1.00 0.00 H new ATOM 644 N GLY A 61 -5.710 1.401 -7.414 1.00 0.00 N ATOM 645 CA GLY A 61 -6.027 2.834 -7.532 1.00 0.00 C ATOM 646 C GLY A 61 -6.831 3.437 -6.367 1.00 0.00 C ATOM 647 O GLY A 61 -7.381 4.528 -6.516 1.00 0.00 O ATOM 0 H GLY A 61 -4.738 1.224 -7.159 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.093 3.387 -7.629 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.587 2.989 -8.454 1.00 0.00 H new ATOM 651 N GLY A 62 -6.917 2.740 -5.226 1.00 0.00 N ATOM 652 CA GLY A 62 -7.733 3.094 -4.055 1.00 0.00 C ATOM 653 C GLY A 62 -7.493 4.504 -3.497 1.00 0.00 C ATOM 654 O GLY A 62 -8.372 5.366 -3.574 1.00 0.00 O ATOM 0 H GLY A 62 -6.396 1.874 -5.087 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.785 3.000 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.540 2.369 -3.264 1.00 0.00 H new ATOM 658 N TYR A 63 -6.310 4.724 -2.916 1.00 0.00 N ATOM 659 CA TYR A 63 -5.946 5.949 -2.183 1.00 0.00 C ATOM 660 C TYR A 63 -4.499 6.393 -2.459 1.00 0.00 C ATOM 661 O TYR A 63 -3.616 5.563 -2.689 1.00 0.00 O ATOM 662 CB TYR A 63 -6.131 5.712 -0.673 1.00 0.00 C ATOM 663 CG TYR A 63 -7.476 5.129 -0.273 1.00 0.00 C ATOM 664 CD1 TYR A 63 -8.614 5.956 -0.217 1.00 0.00 C ATOM 665 CD2 TYR A 63 -7.595 3.749 -0.008 1.00 0.00 C ATOM 666 CE1 TYR A 63 -9.874 5.402 0.085 1.00 0.00 C ATOM 667 CE2 TYR A 63 -8.853 3.193 0.297 1.00 0.00 C ATOM 668 CZ TYR A 63 -9.999 4.019 0.334 1.00 0.00 C ATOM 669 OH TYR A 63 -11.224 3.487 0.593 1.00 0.00 O ATOM 0 H TYR A 63 -5.555 4.038 -2.941 1.00 0.00 H new ATOM 0 HA TYR A 63 -6.602 6.747 -2.531 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -5.344 5.042 -0.327 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.994 6.660 -0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.521 7.015 -0.406 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.720 3.117 -0.039 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.746 6.038 0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.941 2.136 0.502 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.137 2.522 0.741 1.00 0.00 H new ATOM 679 N SER A 64 -4.248 7.706 -2.368 1.00 0.00 N ATOM 680 CA SER A 64 -2.944 8.350 -2.646 1.00 0.00 C ATOM 681 C SER A 64 -2.316 9.069 -1.437 1.00 0.00 C ATOM 682 O SER A 64 -1.224 9.629 -1.555 1.00 0.00 O ATOM 683 CB SER A 64 -3.072 9.317 -3.832 1.00 0.00 C ATOM 684 OG SER A 64 -3.546 8.640 -4.991 1.00 0.00 O ATOM 0 H SER A 64 -4.965 8.376 -2.091 1.00 0.00 H new ATOM 0 HA SER A 64 -2.261 7.537 -2.892 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.755 10.127 -3.574 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.104 9.771 -4.042 1.00 0.00 H new ATOM 0 HG SER A 64 -3.704 7.697 -4.777 1.00 0.00 H new ATOM 690 N ARG A 65 -2.970 9.040 -0.265 1.00 0.00 N ATOM 691 CA ARG A 65 -2.472 9.560 1.025 1.00 0.00 C ATOM 692 C ARG A 65 -2.761 8.574 2.154 1.00 0.00 C ATOM 693 O ARG A 65 -3.818 7.942 2.186 1.00 0.00 O ATOM 694 CB ARG A 65 -3.134 10.915 1.350 1.00 0.00 C ATOM 695 CG ARG A 65 -2.647 12.110 0.515 1.00 0.00 C ATOM 696 CD ARG A 65 -1.215 12.523 0.881 1.00 0.00 C ATOM 697 NE ARG A 65 -0.859 13.828 0.291 1.00 0.00 N ATOM 698 CZ ARG A 65 0.118 14.636 0.668 1.00 0.00 C ATOM 699 NH1 ARG A 65 0.949 14.324 1.623 1.00 0.00 N ATOM 700 NH2 ARG A 65 0.282 15.790 0.087 1.00 0.00 N ATOM 0 H ARG A 65 -3.903 8.636 -0.184 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.394 9.695 0.938 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.211 10.815 1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.965 11.138 2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.691 11.854 -0.544 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.318 12.956 0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.116 12.574 1.965 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.516 11.763 0.533 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.429 14.142 -0.494 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.858 13.431 2.107 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.690 14.973 1.886 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.345 16.076 -0.665 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.038 16.407 0.384 1.00 0.00 H new ATOM 714 N MET A 66 -1.845 8.491 3.119 1.00 0.00 N ATOM 715 CA MET A 66 -1.945 7.579 4.267 1.00 0.00 C ATOM 716 C MET A 66 -3.167 7.901 5.147 1.00 0.00 C ATOM 717 O MET A 66 -3.854 6.999 5.624 1.00 0.00 O ATOM 718 CB MET A 66 -0.623 7.630 5.050 1.00 0.00 C ATOM 719 CG MET A 66 -0.521 6.572 6.156 1.00 0.00 C ATOM 720 SD MET A 66 -0.592 4.835 5.621 1.00 0.00 S ATOM 721 CE MET A 66 0.999 4.661 4.766 1.00 0.00 C ATOM 0 H MET A 66 -1.000 9.062 3.129 1.00 0.00 H new ATOM 0 HA MET A 66 -2.104 6.560 3.913 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.206 7.498 4.355 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.512 8.619 5.494 1.00 0.00 H new ATOM 0 HG2 MET A 66 0.416 6.727 6.692 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.328 6.743 6.869 1.00 0.00 H new ATOM 0 HE1 MET A 66 1.031 3.703 4.248 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.114 5.469 4.043 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.810 4.707 5.493 1.00 0.00 H new ATOM 731 N GLY A 67 -3.506 9.189 5.284 1.00 0.00 N ATOM 732 CA GLY A 67 -4.683 9.662 6.024 1.00 0.00 C ATOM 733 C GLY A 67 -6.028 9.407 5.331 1.00 0.00 C ATOM 734 O GLY A 67 -7.071 9.563 5.965 1.00 0.00 O ATOM 0 H GLY A 67 -2.959 9.947 4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.697 9.180 7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.578 10.733 6.198 1.00 0.00 H new ATOM 738 N GLU A 68 -6.034 9.007 4.054 1.00 0.00 N ATOM 739 CA GLU A 68 -7.239 8.652 3.290 1.00 0.00 C ATOM 740 C GLU A 68 -7.497 7.136 3.288 1.00 0.00 C ATOM 741 O GLU A 68 -8.644 6.708 3.422 1.00 0.00 O ATOM 742 CB GLU A 68 -7.136 9.184 1.851 1.00 0.00 C ATOM 743 CG GLU A 68 -7.077 10.720 1.773 1.00 0.00 C ATOM 744 CD GLU A 68 -8.331 11.409 2.348 1.00 0.00 C ATOM 745 OE1 GLU A 68 -9.467 11.056 1.948 1.00 0.00 O ATOM 746 OE2 GLU A 68 -8.184 12.326 3.190 1.00 0.00 O ATOM 0 H GLU A 68 -5.178 8.918 3.507 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.089 9.123 3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.245 8.769 1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.993 8.831 1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.198 11.071 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.951 11.019 0.732 1.00 0.00 H new ATOM 753 N CYS A 69 -6.452 6.305 3.213 1.00 0.00 N ATOM 754 CA CYS A 69 -6.597 4.856 3.378 1.00 0.00 C ATOM 755 C CYS A 69 -6.917 4.470 4.835 1.00 0.00 C ATOM 756 O CYS A 69 -7.857 3.711 5.083 1.00 0.00 O ATOM 757 CB CYS A 69 -5.376 4.144 2.793 1.00 0.00 C ATOM 758 SG CYS A 69 -3.761 4.383 3.574 1.00 0.00 S ATOM 0 H CYS A 69 -5.495 6.612 3.039 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.463 4.513 2.812 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.587 3.075 2.795 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -5.285 4.449 1.751 1.00 0.00 H new ATOM 763 N ALA A 70 -6.205 5.036 5.815 1.00 0.00 N ATOM 764 CA ALA A 70 -6.365 4.710 7.235 1.00 0.00 C ATOM 765 C ALA A 70 -7.664 5.238 7.893 1.00 0.00 C ATOM 766 O ALA A 70 -8.001 4.800 8.995 1.00 0.00 O ATOM 767 CB ALA A 70 -5.126 5.228 7.974 1.00 0.00 C ATOM 0 H ALA A 70 -5.491 5.744 5.641 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.460 3.627 7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.214 5.000 9.036 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.235 4.746 7.572 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.047 6.307 7.839 1.00 0.00 H new ATOM 773 N ARG A 71 -8.421 6.144 7.247 1.00 0.00 N ATOM 774 CA ARG A 71 -9.791 6.513 7.682 1.00 0.00 C ATOM 775 C ARG A 71 -10.881 5.575 7.144 1.00 0.00 C ATOM 776 O ARG A 71 -11.938 5.448 7.763 1.00 0.00 O ATOM 777 CB ARG A 71 -10.105 7.992 7.376 1.00 0.00 C ATOM 778 CG ARG A 71 -10.276 8.312 5.882 1.00 0.00 C ATOM 779 CD ARG A 71 -10.709 9.760 5.625 1.00 0.00 C ATOM 780 NE ARG A 71 -9.673 10.724 6.032 1.00 0.00 N ATOM 781 CZ ARG A 71 -9.804 12.027 6.196 1.00 0.00 C ATOM 782 NH1 ARG A 71 -10.933 12.644 5.982 1.00 0.00 N ATOM 783 NH2 ARG A 71 -8.795 12.739 6.603 1.00 0.00 N ATOM 0 H ARG A 71 -8.107 6.641 6.413 1.00 0.00 H new ATOM 0 HA ARG A 71 -9.803 6.385 8.764 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -11.018 8.273 7.901 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.303 8.611 7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.335 8.123 5.366 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -11.016 7.636 5.454 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.930 9.890 4.566 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.630 9.966 6.170 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.745 10.339 6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.752 12.118 5.677 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.997 13.653 6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.899 12.291 6.796 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.899 13.746 6.729 1.00 0.00 H new ATOM 797 N ASN A 72 -10.630 4.915 6.008 1.00 0.00 N ATOM 798 CA ASN A 72 -11.552 3.968 5.366 1.00 0.00 C ATOM 799 C ASN A 72 -11.332 2.510 5.821 1.00 0.00 C ATOM 800 O ASN A 72 -12.287 1.731 5.863 1.00 0.00 O ATOM 801 CB ASN A 72 -11.419 4.110 3.841 1.00 0.00 C ATOM 802 CG ASN A 72 -12.134 5.347 3.319 1.00 0.00 C ATOM 803 OD1 ASN A 72 -13.354 5.393 3.230 1.00 0.00 O ATOM 804 ND2 ASN A 72 -11.422 6.395 2.975 1.00 0.00 N ATOM 0 H ASN A 72 -9.756 5.027 5.495 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.568 4.215 5.675 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.364 4.161 3.572 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.829 3.223 3.357 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.886 7.238 2.637 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.405 6.366 3.046 1.00 0.00 H new ATOM 811 N CYS A 73 -10.102 2.151 6.199 1.00 0.00 N ATOM 812 CA CYS A 73 -9.716 0.849 6.757 1.00 0.00 C ATOM 813 C CYS A 73 -9.426 0.913 8.276 1.00 0.00 C ATOM 814 O CYS A 73 -9.280 2.009 8.824 1.00 0.00 O ATOM 815 CB CYS A 73 -8.547 0.303 5.921 1.00 0.00 C ATOM 816 SG CYS A 73 -9.139 -0.834 4.636 1.00 0.00 S ATOM 0 H CYS A 73 -9.310 2.789 6.121 1.00 0.00 H new ATOM 0 HA CYS A 73 -10.550 0.151 6.687 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -8.008 1.130 5.459 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -7.841 -0.214 6.571 1.00 0.00 H new ATOM 821 N PRO A 74 -9.351 -0.235 8.987 1.00 0.00 N ATOM 822 CA PRO A 74 -9.259 -0.265 10.455 1.00 0.00 C ATOM 823 C PRO A 74 -7.852 0.023 11.021 1.00 0.00 C ATOM 824 O PRO A 74 -7.690 0.100 12.242 1.00 0.00 O ATOM 825 CB PRO A 74 -9.737 -1.667 10.845 1.00 0.00 C ATOM 826 CG PRO A 74 -9.304 -2.526 9.661 1.00 0.00 C ATOM 827 CD PRO A 74 -9.504 -1.594 8.470 1.00 0.00 C ATOM 0 HA PRO A 74 -9.865 0.535 10.880 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.280 -2.004 11.775 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.817 -1.698 10.991 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.266 -2.846 9.753 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.910 -3.428 9.574 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -8.772 -1.798 7.688 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.490 -1.734 8.027 1.00 0.00 H new ATOM 835 N GLY A 75 -6.843 0.169 10.150 1.00 0.00 N ATOM 836 CA GLY A 75 -5.425 0.421 10.473 1.00 0.00 C ATOM 837 C GLY A 75 -5.167 1.623 11.386 1.00 0.00 C ATOM 838 O GLY A 75 -4.498 1.435 12.427 1.00 0.00 O ATOM 839 OXT GLY A 75 -5.586 2.751 11.039 1.00 0.00 O ATOM 0 H GLY A 75 -7.000 0.112 9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.013 -0.470 10.947 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.878 0.568 9.542 1.00 0.00 H new TER 843 GLY A 75