USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=10 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+ -165:sc= -0.174 (180deg=-0.611) USER MOD Single : A 4 LYS NZ :NH3+ 161:sc= -0.223 (180deg=-0.73) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0729 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -2.45 K(o=-2.5,f=-4.9!) USER MOD Single : A 11 GLN :FLIP amide:sc= -2.61! C(o=-3.3!,f=-2.6!) USER MOD Single : A 13 THR OG1 : rot -140:sc= 0.291 USER MOD Single : A 14 LYS NZ :NH3+ -141:sc= -0.223 (180deg=-1.23!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.492 USER MOD Single : A 24 GLN : amide:sc= -0.411 K(o=-0.41,f=-3.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.31! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0384 USER MOD Single : A 51 GLN : amide:sc= -4.04! C(o=-4!,f=-4.1!) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.41 F(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 -12.060 5.270 -9.890 1.00 0.00 N ATOM 2 CA GLU A 1 -11.559 6.578 -9.377 1.00 0.00 C ATOM 3 C GLU A 1 -12.163 6.849 -7.994 1.00 0.00 C ATOM 4 O GLU A 1 -12.723 7.900 -7.754 1.00 0.00 O ATOM 5 CB GLU A 1 -11.949 7.712 -10.327 1.00 0.00 C ATOM 6 CG GLU A 1 -11.504 7.354 -11.746 1.00 0.00 C ATOM 7 CD GLU A 1 -11.788 8.534 -12.678 1.00 0.00 C ATOM 8 OE1 GLU A 1 -12.706 9.271 -12.354 1.00 0.00 O ATOM 9 OE2 GLU A 1 -11.074 8.632 -13.662 1.00 0.00 O ATOM 0 H1 GLU A 1 -11.472 4.963 -10.691 1.00 0.00 H new ATOM 0 H2 GLU A 1 -12.012 4.559 -9.133 1.00 0.00 H new ATOM 0 H3 GLU A 1 -13.046 5.375 -10.204 1.00 0.00 H new ATOM 0 HA GLU A 1 -10.472 6.533 -9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -13.027 7.871 -10.300 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -11.482 8.645 -10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -10.441 7.115 -11.757 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -12.033 6.466 -12.092 1.00 0.00 H new ATOM 18 N ALA A 2 -12.035 5.891 -7.116 1.00 0.00 N ATOM 19 CA ALA A 2 -12.599 6.072 -5.743 1.00 0.00 C ATOM 20 C ALA A 2 -11.504 6.534 -4.775 1.00 0.00 C ATOM 21 O ALA A 2 -11.325 5.963 -3.719 1.00 0.00 O ATOM 22 CB ALA A 2 -13.174 4.742 -5.261 1.00 0.00 C ATOM 0 H ALA A 2 -11.570 4.999 -7.285 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.383 6.829 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.587 4.866 -4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.962 4.418 -5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.384 3.991 -5.237 1.00 0.00 H new ATOM 28 N GLU A 3 -10.797 7.562 -5.157 1.00 0.00 N ATOM 29 CA GLU A 3 -9.712 8.076 -4.269 1.00 0.00 C ATOM 30 C GLU A 3 -10.303 9.008 -3.203 1.00 0.00 C ATOM 31 O GLU A 3 -10.417 10.200 -3.412 1.00 0.00 O ATOM 32 CB GLU A 3 -8.698 8.844 -5.113 1.00 0.00 C ATOM 33 CG GLU A 3 -8.432 8.068 -6.406 1.00 0.00 C ATOM 34 CD GLU A 3 -7.250 8.702 -7.141 1.00 0.00 C ATOM 35 OE1 GLU A 3 -6.143 8.274 -6.857 1.00 0.00 O ATOM 36 OE2 GLU A 3 -7.519 9.578 -7.946 1.00 0.00 O ATOM 0 H GLU A 3 -10.920 8.065 -6.036 1.00 0.00 H new ATOM 0 HA GLU A 3 -9.222 7.238 -3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.078 9.839 -5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.770 8.977 -4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.217 7.024 -6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.318 8.080 -7.040 1.00 0.00 H new ATOM 43 N LYS A 4 -10.661 8.442 -2.083 1.00 0.00 N ATOM 44 CA LYS A 4 -11.251 9.275 -0.991 1.00 0.00 C ATOM 45 C LYS A 4 -10.187 9.609 0.062 1.00 0.00 C ATOM 46 O LYS A 4 -10.507 9.946 1.185 1.00 0.00 O ATOM 47 CB LYS A 4 -12.389 8.493 -0.333 1.00 0.00 C ATOM 48 CG LYS A 4 -13.396 9.475 0.271 1.00 0.00 C ATOM 49 CD LYS A 4 -14.525 8.688 0.943 1.00 0.00 C ATOM 50 CE LYS A 4 -15.806 8.850 0.123 1.00 0.00 C ATOM 51 NZ LYS A 4 -15.561 8.502 -1.304 1.00 0.00 N ATOM 0 H LYS A 4 -10.573 7.447 -1.875 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.628 10.206 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.881 7.857 -1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.994 7.837 0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.902 10.119 0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.801 10.123 -0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.257 7.634 1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.681 9.049 1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.588 8.210 0.530 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -16.164 9.877 0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -16.468 8.303 -1.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.092 9.299 -1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.952 7.660 -1.357 1.00 0.00 H new ATOM 65 N CYS A 5 -8.940 9.510 -0.328 1.00 0.00 N ATOM 66 CA CYS A 5 -7.837 9.814 0.638 1.00 0.00 C ATOM 67 C CYS A 5 -7.247 11.201 0.354 1.00 0.00 C ATOM 68 O CYS A 5 -7.623 11.849 -0.604 1.00 0.00 O ATOM 69 CB CYS A 5 -6.755 8.751 0.495 1.00 0.00 C ATOM 70 SG CYS A 5 -7.300 7.025 0.502 1.00 0.00 S ATOM 0 H CYS A 5 -8.639 9.235 -1.263 1.00 0.00 H new ATOM 0 HA CYS A 5 -8.231 9.810 1.654 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -6.220 8.934 -0.437 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.039 8.884 1.306 1.00 0.00 H new ATOM 75 N THR A 6 -6.334 11.623 1.196 1.00 0.00 N ATOM 76 CA THR A 6 -5.719 12.975 1.012 1.00 0.00 C ATOM 77 C THR A 6 -4.247 12.880 0.579 1.00 0.00 C ATOM 78 O THR A 6 -3.934 12.988 -0.590 1.00 0.00 O ATOM 79 CB THR A 6 -5.802 13.730 2.338 1.00 0.00 C ATOM 80 OG1 THR A 6 -5.759 12.713 3.338 1.00 0.00 O ATOM 81 CG2 THR A 6 -7.157 14.413 2.513 1.00 0.00 C ATOM 0 H THR A 6 -5.990 11.094 1.997 1.00 0.00 H new ATOM 0 HA THR A 6 -6.265 13.497 0.226 1.00 0.00 H new ATOM 0 HB THR A 6 -5.011 14.478 2.390 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.807 13.125 4.226 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.178 14.940 3.467 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.313 15.125 1.702 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.948 13.663 2.495 1.00 0.00 H new ATOM 89 N LYS A 7 -3.378 12.679 1.535 1.00 0.00 N ATOM 90 CA LYS A 7 -1.916 12.616 1.204 1.00 0.00 C ATOM 91 C LYS A 7 -1.626 11.481 0.183 1.00 0.00 C ATOM 92 O LYS A 7 -2.426 10.584 0.011 1.00 0.00 O ATOM 93 CB LYS A 7 -1.114 12.369 2.490 1.00 0.00 C ATOM 94 CG LYS A 7 -2.067 12.290 3.685 1.00 0.00 C ATOM 95 CD LYS A 7 -1.251 12.083 4.965 1.00 0.00 C ATOM 96 CE LYS A 7 -1.109 13.423 5.691 1.00 0.00 C ATOM 97 NZ LYS A 7 -0.270 13.269 6.913 1.00 0.00 N ATOM 0 H LYS A 7 -3.610 12.557 2.521 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.619 13.564 0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.546 11.443 2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.393 13.172 2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.655 13.205 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.771 11.469 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.743 11.356 5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.267 11.680 4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.659 14.159 5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.094 13.801 5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.184 14.188 7.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.715 12.583 7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.675 12.929 6.644 1.00 0.00 H new ATOM 111 N PRO A 8 -0.466 11.556 -0.477 1.00 0.00 N ATOM 112 CA PRO A 8 -0.064 10.539 -1.468 1.00 0.00 C ATOM 113 C PRO A 8 0.082 9.155 -0.818 1.00 0.00 C ATOM 114 O PRO A 8 -0.234 8.972 0.340 1.00 0.00 O ATOM 115 CB PRO A 8 1.291 11.007 -2.006 1.00 0.00 C ATOM 116 CG PRO A 8 1.706 12.266 -1.187 1.00 0.00 C ATOM 117 CD PRO A 8 0.514 12.648 -0.295 1.00 0.00 C ATOM 0 HA PRO A 8 -0.812 10.440 -2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.038 10.219 -1.904 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.221 11.245 -3.067 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.587 12.056 -0.581 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.966 13.089 -1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.815 12.738 0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.093 13.609 -0.589 1.00 0.00 H new ATOM 125 N ASN A 9 0.558 8.211 -1.593 1.00 0.00 N ATOM 126 CA ASN A 9 0.737 6.827 -1.057 1.00 0.00 C ATOM 127 C ASN A 9 -0.592 6.299 -0.512 1.00 0.00 C ATOM 128 O ASN A 9 -1.289 5.566 -1.184 1.00 0.00 O ATOM 129 CB ASN A 9 1.792 6.840 0.056 1.00 0.00 C ATOM 130 CG ASN A 9 3.089 7.467 -0.473 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.978 6.783 -0.954 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.241 8.761 -0.400 1.00 0.00 N ATOM 0 H ASN A 9 0.829 8.338 -2.568 1.00 0.00 H new ATOM 0 HA ASN A 9 1.071 6.172 -1.861 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.425 7.406 0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.982 5.824 0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.098 9.194 -0.744 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.503 9.339 0.001 1.00 0.00 H new ATOM 139 N GLU A 10 -0.918 6.679 0.690 1.00 0.00 N ATOM 140 CA GLU A 10 -2.204 6.205 1.272 1.00 0.00 C ATOM 141 C GLU A 10 -3.363 6.600 0.352 1.00 0.00 C ATOM 142 O GLU A 10 -3.858 7.708 0.418 1.00 0.00 O ATOM 143 CB GLU A 10 -2.398 6.843 2.646 1.00 0.00 C ATOM 144 CG GLU A 10 -1.294 6.352 3.585 1.00 0.00 C ATOM 145 CD GLU A 10 -1.839 5.225 4.465 1.00 0.00 C ATOM 146 OE1 GLU A 10 -2.474 5.567 5.449 1.00 0.00 O ATOM 147 OE2 GLU A 10 -1.589 4.086 4.102 1.00 0.00 O ATOM 0 H GLU A 10 -0.360 7.288 1.288 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.182 5.120 1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.367 7.929 2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.377 6.582 3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.441 5.997 3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.938 7.174 4.206 1.00 0.00 H new ATOM 154 N GLN A 11 -3.765 5.677 -0.487 1.00 0.00 N ATOM 155 CA GLN A 11 -4.887 5.964 -1.433 1.00 0.00 C ATOM 156 C GLN A 11 -5.986 4.927 -1.241 1.00 0.00 C ATOM 157 O GLN A 11 -5.801 3.950 -0.551 1.00 0.00 O ATOM 158 CB GLN A 11 -4.372 5.905 -2.867 1.00 0.00 C ATOM 159 CG GLN A 11 -5.119 6.940 -3.709 1.00 0.00 C ATOM 160 CD GLN A 11 -4.655 6.836 -5.163 1.00 0.00 C ATOM 161 OE1 GLN A 11 -4.028 7.846 -5.701 1.00 0.00 O flip ATOM 162 NE2 GLN A 11 -4.858 5.837 -5.821 1.00 0.00 N flip ATOM 0 H GLN A 11 -3.366 4.741 -0.557 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.287 6.958 -1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.301 6.104 -2.890 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.520 4.907 -3.279 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.194 6.771 -3.645 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.931 7.943 -3.326 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.348 5.044 -5.406 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.539 5.790 -6.789 1.00 0.00 H new ATOM 171 N TRP A 12 -7.102 5.148 -1.858 1.00 0.00 N ATOM 172 CA TRP A 12 -8.215 4.181 -1.688 1.00 0.00 C ATOM 173 C TRP A 12 -7.860 2.810 -2.248 1.00 0.00 C ATOM 174 O TRP A 12 -7.267 2.695 -3.303 1.00 0.00 O ATOM 175 CB TRP A 12 -9.444 4.678 -2.422 1.00 0.00 C ATOM 176 CG TRP A 12 -10.515 3.582 -2.357 1.00 0.00 C ATOM 177 CD1 TRP A 12 -10.766 2.708 -3.332 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.314 3.386 -1.338 1.00 0.00 C ATOM 179 NE1 TRP A 12 -11.778 1.970 -2.838 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.184 2.341 -1.582 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.356 4.049 -0.130 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.101 1.972 -0.627 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.272 3.676 0.830 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.147 2.637 0.580 1.00 0.00 C ATOM 0 H TRP A 12 -7.295 5.944 -2.466 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.405 4.093 -0.618 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.813 5.598 -1.967 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.200 4.910 -3.459 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.275 2.614 -4.289 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.206 1.201 -3.354 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.671 4.861 0.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -13.786 1.160 -0.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.305 4.195 1.776 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -13.867 2.345 1.330 1.00 0.00 H new ATOM 195 N THR A 13 -8.232 1.798 -1.521 1.00 0.00 N ATOM 196 CA THR A 13 -7.981 0.419 -2.003 1.00 0.00 C ATOM 197 C THR A 13 -9.165 -0.463 -1.607 1.00 0.00 C ATOM 198 O THR A 13 -9.729 -0.304 -0.542 1.00 0.00 O ATOM 199 CB THR A 13 -6.687 -0.126 -1.386 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.725 -1.525 -1.645 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.686 -0.001 0.134 1.00 0.00 C ATOM 0 H THR A 13 -8.698 1.867 -0.616 1.00 0.00 H new ATOM 0 HA THR A 13 -7.871 0.421 -3.087 1.00 0.00 H new ATOM 0 HB THR A 13 -5.830 0.412 -1.792 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.385 -2.011 -0.865 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.752 -0.398 0.531 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.782 1.048 0.413 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.524 -0.564 0.546 1.00 0.00 H new ATOM 209 N LYS A 14 -9.533 -1.365 -2.466 1.00 0.00 N ATOM 210 CA LYS A 14 -10.692 -2.235 -2.133 1.00 0.00 C ATOM 211 C LYS A 14 -10.227 -3.477 -1.357 1.00 0.00 C ATOM 212 O LYS A 14 -11.034 -4.258 -0.895 1.00 0.00 O ATOM 213 CB LYS A 14 -11.400 -2.649 -3.420 1.00 0.00 C ATOM 214 CG LYS A 14 -12.673 -1.807 -3.573 1.00 0.00 C ATOM 215 CD LYS A 14 -13.200 -1.943 -4.997 1.00 0.00 C ATOM 216 CE LYS A 14 -14.716 -2.148 -4.954 1.00 0.00 C ATOM 217 NZ LYS A 14 -15.054 -3.370 -4.172 1.00 0.00 N ATOM 0 H LYS A 14 -9.092 -1.538 -3.369 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.386 -1.680 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.743 -2.500 -4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.650 -3.710 -3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.429 -2.137 -2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.460 -0.761 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.958 -1.051 -5.574 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.721 -2.785 -5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.194 -1.278 -4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.106 -2.238 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.843 -3.869 -4.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.225 -3.996 -4.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.331 -3.099 -3.207 1.00 0.00 H new ATOM 231 N CYS A 15 -8.935 -3.630 -1.232 1.00 0.00 N ATOM 232 CA CYS A 15 -8.401 -4.804 -0.478 1.00 0.00 C ATOM 233 C CYS A 15 -7.138 -4.407 0.294 1.00 0.00 C ATOM 234 O CYS A 15 -6.084 -4.234 -0.285 1.00 0.00 O ATOM 235 CB CYS A 15 -8.059 -5.920 -1.459 1.00 0.00 C ATOM 236 SG CYS A 15 -6.738 -7.067 -0.975 1.00 0.00 S ATOM 0 H CYS A 15 -8.231 -2.999 -1.615 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.158 -5.147 0.228 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.963 -6.501 -1.639 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.780 -5.463 -2.408 1.00 0.00 H new ATOM 241 N GLY A 16 -7.273 -4.270 1.584 1.00 0.00 N ATOM 242 CA GLY A 16 -6.089 -3.888 2.405 1.00 0.00 C ATOM 243 C GLY A 16 -5.415 -5.134 2.982 1.00 0.00 C ATOM 244 O GLY A 16 -5.820 -6.246 2.703 1.00 0.00 O ATOM 0 H GLY A 16 -8.142 -4.404 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.378 -3.333 1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.398 -3.226 3.214 1.00 0.00 H new ATOM 248 N GLY A 17 -4.400 -4.923 3.776 1.00 0.00 N ATOM 249 CA GLY A 17 -3.690 -6.084 4.384 1.00 0.00 C ATOM 250 C GLY A 17 -2.441 -6.437 3.576 1.00 0.00 C ATOM 251 O GLY A 17 -1.345 -6.043 3.918 1.00 0.00 O ATOM 0 H GLY A 17 -4.034 -4.005 4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.410 -5.848 5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.358 -6.944 4.425 1.00 0.00 H new ATOM 255 N CYS A 18 -2.635 -7.178 2.520 1.00 0.00 N ATOM 256 CA CYS A 18 -1.467 -7.574 1.680 1.00 0.00 C ATOM 257 C CYS A 18 -1.142 -6.479 0.663 1.00 0.00 C ATOM 258 O CYS A 18 -2.004 -5.722 0.261 1.00 0.00 O ATOM 259 CB CYS A 18 -1.801 -8.864 0.939 1.00 0.00 C ATOM 260 SG CYS A 18 -2.253 -10.301 1.935 1.00 0.00 S ATOM 0 H CYS A 18 -3.541 -7.524 2.204 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.601 -7.722 2.325 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.624 -8.656 0.255 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.939 -9.135 0.329 1.00 0.00 H new ATOM 265 N GLU A 19 0.099 -6.420 0.270 1.00 0.00 N ATOM 266 CA GLU A 19 0.503 -5.385 -0.723 1.00 0.00 C ATOM 267 C GLU A 19 1.879 -5.723 -1.304 1.00 0.00 C ATOM 268 O GLU A 19 2.208 -6.878 -1.491 1.00 0.00 O ATOM 269 CB GLU A 19 0.562 -4.024 -0.032 1.00 0.00 C ATOM 270 CG GLU A 19 0.441 -2.916 -1.082 1.00 0.00 C ATOM 271 CD GLU A 19 -1.007 -2.422 -1.132 1.00 0.00 C ATOM 272 OE1 GLU A 19 -1.450 -1.945 -0.101 1.00 0.00 O ATOM 273 OE2 GLU A 19 -1.586 -2.550 -2.197 1.00 0.00 O ATOM 0 H GLU A 19 0.846 -7.037 0.589 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.226 -5.358 -1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.243 -3.939 0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.499 -3.922 0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.110 -2.092 -0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.743 -3.291 -2.060 1.00 0.00 H new ATOM 280 N GLY A 20 2.649 -4.698 -1.577 1.00 0.00 N ATOM 281 CA GLY A 20 4.012 -4.922 -2.147 1.00 0.00 C ATOM 282 C GLY A 20 5.080 -4.443 -1.166 1.00 0.00 C ATOM 283 O GLY A 20 4.778 -3.788 -0.186 1.00 0.00 O ATOM 0 H GLY A 20 2.394 -3.721 -1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.154 -5.981 -2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.111 -4.389 -3.092 1.00 0.00 H new ATOM 287 N THR A 21 6.308 -4.778 -1.452 1.00 0.00 N ATOM 288 CA THR A 21 7.416 -4.349 -0.549 1.00 0.00 C ATOM 289 C THR A 21 8.633 -3.944 -1.382 1.00 0.00 C ATOM 290 O THR A 21 8.606 -4.014 -2.595 1.00 0.00 O ATOM 291 CB THR A 21 7.790 -5.511 0.373 1.00 0.00 C ATOM 292 OG1 THR A 21 8.371 -6.485 -0.487 1.00 0.00 O ATOM 293 CG2 THR A 21 6.550 -6.180 0.962 1.00 0.00 C ATOM 0 H THR A 21 6.592 -5.325 -2.264 1.00 0.00 H new ATOM 0 HA THR A 21 7.091 -3.496 0.047 1.00 0.00 H new ATOM 0 HB THR A 21 8.428 -5.154 1.181 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.640 -7.267 0.039 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.853 -7.001 1.612 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.983 -5.450 1.540 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.927 -6.567 0.155 1.00 0.00 H new ATOM 301 N CYS A 22 9.673 -3.534 -0.716 1.00 0.00 N ATOM 302 CA CYS A 22 10.891 -3.124 -1.464 1.00 0.00 C ATOM 303 C CYS A 22 11.598 -4.363 -2.008 1.00 0.00 C ATOM 304 O CYS A 22 12.719 -4.293 -2.470 1.00 0.00 O ATOM 305 CB CYS A 22 11.828 -2.369 -0.524 1.00 0.00 C ATOM 306 SG CYS A 22 13.032 -1.258 -1.274 1.00 0.00 S ATOM 0 H CYS A 22 9.734 -3.465 0.300 1.00 0.00 H new ATOM 0 HA CYS A 22 10.610 -2.477 -2.295 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.217 -1.788 0.166 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.371 -3.103 0.072 1.00 0.00 H new ATOM 311 N ALA A 23 10.916 -5.476 -1.939 1.00 0.00 N ATOM 312 CA ALA A 23 11.519 -6.743 -2.443 1.00 0.00 C ATOM 313 C ALA A 23 10.468 -7.591 -3.180 1.00 0.00 C ATOM 314 O ALA A 23 10.809 -8.514 -3.892 1.00 0.00 O ATOM 315 CB ALA A 23 12.063 -7.531 -1.253 1.00 0.00 C ATOM 0 H ALA A 23 9.974 -5.562 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 23 12.321 -6.505 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.508 -8.462 -1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.820 -6.938 -0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.250 -7.756 -0.563 1.00 0.00 H new ATOM 321 N GLN A 24 9.213 -7.258 -2.999 1.00 0.00 N ATOM 322 CA GLN A 24 8.141 -8.044 -3.679 1.00 0.00 C ATOM 323 C GLN A 24 6.995 -7.121 -4.093 1.00 0.00 C ATOM 324 O GLN A 24 6.043 -6.945 -3.359 1.00 0.00 O ATOM 325 CB GLN A 24 7.611 -9.109 -2.717 1.00 0.00 C ATOM 326 CG GLN A 24 8.342 -10.430 -2.972 1.00 0.00 C ATOM 327 CD GLN A 24 7.710 -11.134 -4.174 1.00 0.00 C ATOM 328 OE1 GLN A 24 7.606 -10.578 -5.249 1.00 0.00 O ATOM 329 NE2 GLN A 24 7.278 -12.358 -4.035 1.00 0.00 N ATOM 0 H GLN A 24 8.889 -6.486 -2.417 1.00 0.00 H new ATOM 0 HA GLN A 24 8.555 -8.519 -4.569 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.761 -8.791 -1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.538 -9.241 -2.857 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.399 -10.243 -3.160 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.283 -11.068 -2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.363 -12.830 -3.135 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.856 -12.843 -4.827 1.00 0.00 H new ATOM 338 N LYS A 25 7.117 -6.545 -5.259 1.00 0.00 N ATOM 339 CA LYS A 25 6.041 -5.627 -5.748 1.00 0.00 C ATOM 340 C LYS A 25 4.660 -6.215 -5.440 1.00 0.00 C ATOM 341 O LYS A 25 3.740 -5.497 -5.100 1.00 0.00 O ATOM 342 CB LYS A 25 6.193 -5.444 -7.258 1.00 0.00 C ATOM 343 CG LYS A 25 5.284 -4.302 -7.727 1.00 0.00 C ATOM 344 CD LYS A 25 6.056 -2.985 -7.658 1.00 0.00 C ATOM 345 CE LYS A 25 6.848 -2.794 -8.951 1.00 0.00 C ATOM 346 NZ LYS A 25 6.038 -2.044 -9.952 1.00 0.00 N ATOM 0 H LYS A 25 7.908 -6.667 -5.892 1.00 0.00 H new ATOM 0 HA LYS A 25 6.132 -4.665 -5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.231 -5.222 -7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.932 -6.367 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.945 -4.486 -8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.394 -4.249 -7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.366 -2.153 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.731 -2.991 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.771 -2.253 -8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.132 -3.765 -9.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.590 -1.923 -10.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.169 -2.575 -10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.789 -1.110 -9.568 1.00 0.00 H new ATOM 360 N ILE A 26 4.546 -7.511 -5.575 1.00 0.00 N ATOM 361 CA ILE A 26 3.236 -8.173 -5.294 1.00 0.00 C ATOM 362 C ILE A 26 3.457 -9.445 -4.471 1.00 0.00 C ATOM 363 O ILE A 26 4.137 -10.356 -4.896 1.00 0.00 O ATOM 364 CB ILE A 26 2.557 -8.527 -6.621 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.085 -7.232 -7.300 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.350 -9.430 -6.345 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.618 -7.534 -8.731 1.00 0.00 C ATOM 0 H ILE A 26 5.298 -8.136 -5.866 1.00 0.00 H new ATOM 0 HA ILE A 26 2.601 -7.493 -4.726 1.00 0.00 H new ATOM 0 HB ILE A 26 3.259 -9.049 -7.272 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.270 -6.787 -6.728 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.896 -6.504 -7.319 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.863 -9.685 -7.286 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.684 -10.342 -5.851 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.643 -8.906 -5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.285 -6.612 -9.207 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.444 -7.959 -9.301 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.793 -8.246 -8.702 1.00 0.00 H new ATOM 379 N VAL A 27 2.873 -9.475 -3.305 1.00 0.00 N ATOM 380 CA VAL A 27 3.032 -10.672 -2.431 1.00 0.00 C ATOM 381 C VAL A 27 1.789 -11.598 -2.581 1.00 0.00 C ATOM 382 O VAL A 27 0.673 -11.116 -2.550 1.00 0.00 O ATOM 383 CB VAL A 27 3.131 -10.193 -0.979 1.00 0.00 C ATOM 384 CG1 VAL A 27 1.783 -9.609 -0.552 1.00 0.00 C ATOM 385 CG2 VAL A 27 3.475 -11.371 -0.071 1.00 0.00 C ATOM 0 H VAL A 27 2.296 -8.727 -2.921 1.00 0.00 H new ATOM 0 HA VAL A 27 3.927 -11.227 -2.713 1.00 0.00 H new ATOM 0 HB VAL A 27 3.909 -9.434 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.846 -9.266 0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.529 -8.769 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.012 -10.375 -0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.545 -11.027 0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.696 -12.130 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.430 -11.799 -0.376 1.00 0.00 H new ATOM 395 N PRO A 28 1.987 -12.913 -2.741 1.00 0.00 N ATOM 396 CA PRO A 28 0.847 -13.829 -2.883 1.00 0.00 C ATOM 397 C PRO A 28 -0.012 -13.805 -1.622 1.00 0.00 C ATOM 398 O PRO A 28 0.496 -13.682 -0.525 1.00 0.00 O ATOM 399 CB PRO A 28 1.458 -15.219 -3.075 1.00 0.00 C ATOM 400 CG PRO A 28 2.990 -15.081 -2.869 1.00 0.00 C ATOM 401 CD PRO A 28 3.308 -13.576 -2.782 1.00 0.00 C ATOM 0 HA PRO A 28 0.206 -13.547 -3.718 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.036 -15.926 -2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.237 -15.602 -4.071 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.303 -15.593 -1.959 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.532 -15.541 -3.696 1.00 0.00 H new ATOM 0 HD2 PRO A 28 3.894 -13.346 -1.892 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.891 -13.244 -3.641 1.00 0.00 H new ATOM 409 N CYS A 29 -1.294 -13.926 -1.798 1.00 0.00 N ATOM 410 CA CYS A 29 -2.188 -13.916 -0.611 1.00 0.00 C ATOM 411 C CYS A 29 -3.527 -14.561 -0.949 1.00 0.00 C ATOM 412 O CYS A 29 -4.175 -14.198 -1.910 1.00 0.00 O ATOM 413 CB CYS A 29 -2.406 -12.479 -0.154 1.00 0.00 C ATOM 414 SG CYS A 29 -1.247 -11.821 1.071 1.00 0.00 S ATOM 0 H CYS A 29 -1.758 -14.030 -2.700 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.721 -14.487 0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.372 -11.835 -1.033 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.413 -12.403 0.257 1.00 0.00 H new ATOM 419 N THR A 30 -3.903 -15.511 -0.149 1.00 0.00 N ATOM 420 CA THR A 30 -5.193 -16.208 -0.380 1.00 0.00 C ATOM 421 C THR A 30 -6.346 -15.210 -0.346 1.00 0.00 C ATOM 422 O THR A 30 -6.188 -14.057 -0.696 1.00 0.00 O ATOM 423 CB THR A 30 -5.375 -17.250 0.721 1.00 0.00 C ATOM 424 OG1 THR A 30 -6.022 -16.552 1.783 1.00 0.00 O ATOM 425 CG2 THR A 30 -4.025 -17.685 1.285 1.00 0.00 C ATOM 0 H THR A 30 -3.372 -15.837 0.658 1.00 0.00 H new ATOM 0 HA THR A 30 -5.186 -16.688 -1.358 1.00 0.00 H new ATOM 0 HB THR A 30 -5.913 -18.117 0.337 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.174 -17.165 2.532 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.180 -18.428 2.068 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.420 -18.118 0.488 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.509 -16.820 1.702 1.00 0.00 H new ATOM 433 N ARG A 31 -7.482 -15.678 0.059 1.00 0.00 N ATOM 434 CA ARG A 31 -8.666 -14.774 0.125 1.00 0.00 C ATOM 435 C ARG A 31 -8.539 -13.809 1.307 1.00 0.00 C ATOM 436 O ARG A 31 -9.511 -13.499 1.966 1.00 0.00 O ATOM 437 CB ARG A 31 -9.932 -15.616 0.285 1.00 0.00 C ATOM 438 CG ARG A 31 -9.912 -16.751 -0.744 1.00 0.00 C ATOM 439 CD ARG A 31 -11.192 -17.577 -0.608 1.00 0.00 C ATOM 440 NE ARG A 31 -10.949 -18.942 -1.156 1.00 0.00 N ATOM 441 CZ ARG A 31 -10.164 -19.762 -0.511 1.00 0.00 C ATOM 442 NH1 ARG A 31 -10.186 -19.761 0.793 1.00 0.00 N ATOM 443 NH2 ARG A 31 -9.384 -20.556 -1.192 1.00 0.00 N ATOM 0 H ARG A 31 -7.650 -16.642 0.348 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.720 -14.192 -0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.987 -16.024 1.294 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.817 -14.995 0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.834 -16.343 -1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.038 -17.384 -0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.491 -17.639 0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.010 -17.096 -1.145 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.392 -19.233 -2.027 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.810 -19.127 1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.580 -20.395 1.314 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.394 -20.530 -2.212 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.764 -21.203 -0.705 1.00 0.00 H new ATOM 457 N GLU A 32 -7.341 -13.355 1.544 1.00 0.00 N ATOM 458 CA GLU A 32 -7.124 -12.400 2.672 1.00 0.00 C ATOM 459 C GLU A 32 -7.076 -10.958 2.147 1.00 0.00 C ATOM 460 O GLU A 32 -6.111 -10.549 1.532 1.00 0.00 O ATOM 461 CB GLU A 32 -5.801 -12.731 3.362 1.00 0.00 C ATOM 462 CG GLU A 32 -5.815 -14.197 3.799 1.00 0.00 C ATOM 463 CD GLU A 32 -5.246 -14.308 5.215 1.00 0.00 C ATOM 464 OE1 GLU A 32 -5.987 -13.973 6.125 1.00 0.00 O ATOM 465 OE2 GLU A 32 -4.103 -14.725 5.307 1.00 0.00 O ATOM 0 H GLU A 32 -6.506 -13.600 1.011 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.948 -12.491 3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.968 -12.549 2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.656 -12.083 4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.833 -14.587 3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.224 -14.800 3.109 1.00 0.00 H new ATOM 472 N CYS A 33 -8.125 -10.221 2.397 1.00 0.00 N ATOM 473 CA CYS A 33 -8.159 -8.803 1.923 1.00 0.00 C ATOM 474 C CYS A 33 -9.015 -7.953 2.869 1.00 0.00 C ATOM 475 O CYS A 33 -10.224 -7.923 2.753 1.00 0.00 O ATOM 476 CB CYS A 33 -8.767 -8.757 0.519 1.00 0.00 C ATOM 477 SG CYS A 33 -7.637 -8.877 -0.892 1.00 0.00 S ATOM 0 H CYS A 33 -8.953 -10.533 2.904 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.144 -8.407 1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.490 -9.569 0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.323 -7.824 0.425 1.00 0.00 H new ATOM 482 N LYS A 34 -8.370 -7.281 3.788 1.00 0.00 N ATOM 483 CA LYS A 34 -9.132 -6.429 4.743 1.00 0.00 C ATOM 484 C LYS A 34 -10.201 -5.617 3.975 1.00 0.00 C ATOM 485 O LYS A 34 -10.067 -5.398 2.787 1.00 0.00 O ATOM 486 CB LYS A 34 -8.149 -5.479 5.429 1.00 0.00 C ATOM 487 CG LYS A 34 -7.717 -6.067 6.777 1.00 0.00 C ATOM 488 CD LYS A 34 -6.955 -7.376 6.544 1.00 0.00 C ATOM 489 CE LYS A 34 -6.523 -7.953 7.894 1.00 0.00 C ATOM 490 NZ LYS A 34 -5.082 -8.329 7.859 1.00 0.00 N ATOM 0 H LYS A 34 -7.358 -7.286 3.916 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.632 -7.049 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.277 -5.322 4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.614 -4.505 5.579 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.085 -5.356 7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.591 -6.249 7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.587 -8.090 6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.083 -7.196 5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.695 -7.220 8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.128 -8.827 8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.803 -8.719 8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.928 -9.044 7.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.508 -7.487 7.651 1.00 0.00 H new ATOM 504 N PRO A 35 -11.246 -5.181 4.669 1.00 0.00 N ATOM 505 CA PRO A 35 -12.313 -4.406 4.024 1.00 0.00 C ATOM 506 C PRO A 35 -11.734 -3.162 3.308 1.00 0.00 C ATOM 507 O PRO A 35 -10.604 -2.782 3.540 1.00 0.00 O ATOM 508 CB PRO A 35 -13.251 -3.983 5.163 1.00 0.00 C ATOM 509 CG PRO A 35 -12.673 -4.572 6.485 1.00 0.00 C ATOM 510 CD PRO A 35 -11.438 -5.412 6.115 1.00 0.00 C ATOM 0 HA PRO A 35 -12.831 -4.990 3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.316 -2.897 5.223 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.261 -4.354 4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.401 -3.773 7.174 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.418 -5.187 6.989 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.563 -5.101 6.685 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.599 -6.469 6.329 1.00 0.00 H new ATOM 518 N PRO A 36 -12.536 -2.556 2.446 1.00 0.00 N ATOM 519 CA PRO A 36 -12.114 -1.355 1.702 1.00 0.00 C ATOM 520 C PRO A 36 -11.717 -0.221 2.657 1.00 0.00 C ATOM 521 O PRO A 36 -12.380 0.016 3.645 1.00 0.00 O ATOM 522 CB PRO A 36 -13.342 -0.938 0.889 1.00 0.00 C ATOM 523 CG PRO A 36 -14.478 -1.956 1.192 1.00 0.00 C ATOM 524 CD PRO A 36 -13.904 -3.015 2.146 1.00 0.00 C ATOM 0 HA PRO A 36 -11.245 -1.561 1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.652 0.072 1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.110 -0.929 -0.176 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.332 -1.454 1.646 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.833 -2.420 0.272 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.502 -3.094 3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.897 -4.001 1.682 1.00 0.00 H new ATOM 532 N ARG A 37 -10.651 0.459 2.323 1.00 0.00 N ATOM 533 CA ARG A 37 -10.186 1.590 3.188 1.00 0.00 C ATOM 534 C ARG A 37 -8.925 2.222 2.584 1.00 0.00 C ATOM 535 O ARG A 37 -8.289 1.642 1.729 1.00 0.00 O ATOM 536 CB ARG A 37 -9.864 1.054 4.591 1.00 0.00 C ATOM 537 CG ARG A 37 -9.087 2.114 5.377 1.00 0.00 C ATOM 538 CD ARG A 37 -9.125 1.759 6.866 1.00 0.00 C ATOM 539 NE ARG A 37 -8.599 0.375 7.047 1.00 0.00 N ATOM 540 CZ ARG A 37 -8.995 -0.332 8.071 1.00 0.00 C ATOM 541 NH1 ARG A 37 -10.127 -0.978 7.993 1.00 0.00 N ATOM 542 NH2 ARG A 37 -8.247 -0.368 9.140 1.00 0.00 N ATOM 0 H ARG A 37 -10.083 0.283 1.494 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.971 2.344 3.251 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.785 0.800 5.115 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.277 0.139 4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.056 2.161 5.027 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.524 3.099 5.214 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.526 2.468 7.438 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.145 1.827 7.244 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.936 -0.016 6.377 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.687 -0.926 7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.452 -1.535 8.783 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.369 0.151 9.166 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.540 -0.915 9.949 1.00 0.00 H new ATOM 556 N CYS A 38 -8.609 3.411 3.020 1.00 0.00 N ATOM 557 CA CYS A 38 -7.373 4.078 2.501 1.00 0.00 C ATOM 558 C CYS A 38 -6.134 3.264 2.900 1.00 0.00 C ATOM 559 O CYS A 38 -6.039 2.792 4.015 1.00 0.00 O ATOM 560 CB CYS A 38 -7.274 5.482 3.097 1.00 0.00 C ATOM 561 SG CYS A 38 -8.216 6.795 2.286 1.00 0.00 S ATOM 0 H CYS A 38 -9.143 3.947 3.704 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.424 4.140 1.414 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.595 5.430 4.138 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.224 5.773 3.101 1.00 0.00 H new ATOM 566 N GLU A 39 -5.209 3.113 1.985 1.00 0.00 N ATOM 567 CA GLU A 39 -3.981 2.322 2.321 1.00 0.00 C ATOM 568 C GLU A 39 -2.968 2.358 1.165 1.00 0.00 C ATOM 569 O GLU A 39 -3.101 3.133 0.238 1.00 0.00 O ATOM 570 CB GLU A 39 -4.384 0.876 2.601 1.00 0.00 C ATOM 571 CG GLU A 39 -3.937 0.500 4.015 1.00 0.00 C ATOM 572 CD GLU A 39 -4.385 -0.929 4.326 1.00 0.00 C ATOM 573 OE1 GLU A 39 -3.691 -1.824 3.876 1.00 0.00 O ATOM 574 OE2 GLU A 39 -5.399 -1.045 4.995 1.00 0.00 O ATOM 0 H GLU A 39 -5.246 3.493 1.039 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.510 2.761 3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.464 0.760 2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.925 0.209 1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.853 0.580 4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.364 1.193 4.740 1.00 0.00 H new ATOM 581 N CYS A 40 -1.974 1.510 1.255 1.00 0.00 N ATOM 582 CA CYS A 40 -0.929 1.471 0.185 1.00 0.00 C ATOM 583 C CYS A 40 -1.466 0.779 -1.075 1.00 0.00 C ATOM 584 O CYS A 40 -2.486 0.119 -1.037 1.00 0.00 O ATOM 585 CB CYS A 40 0.282 0.704 0.707 1.00 0.00 C ATOM 586 SG CYS A 40 1.917 1.279 0.187 1.00 0.00 S ATOM 0 H CYS A 40 -1.841 0.846 2.018 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.649 2.492 -0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.249 0.722 1.796 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.178 -0.337 0.403 1.00 0.00 H new ATOM 591 N ILE A 41 -0.755 0.944 -2.166 1.00 0.00 N ATOM 592 CA ILE A 41 -1.204 0.320 -3.452 1.00 0.00 C ATOM 593 C ILE A 41 -0.006 -0.275 -4.206 1.00 0.00 C ATOM 594 O ILE A 41 0.843 0.447 -4.692 1.00 0.00 O ATOM 595 CB ILE A 41 -1.854 1.394 -4.329 1.00 0.00 C ATOM 596 CG1 ILE A 41 -2.952 2.109 -3.538 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.464 0.735 -5.570 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.371 3.383 -2.918 1.00 0.00 C ATOM 0 H ILE A 41 0.111 1.480 -2.222 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.917 -0.474 -3.229 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.100 2.119 -4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.787 2.356 -4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.341 1.454 -2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.927 1.497 -6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.681 0.228 -6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.218 0.010 -5.263 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.147 3.899 -2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.549 3.121 -2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.003 4.037 -3.708 1.00 0.00 H new ATOM 610 N ALA A 42 0.031 -1.573 -4.299 1.00 0.00 N ATOM 611 CA ALA A 42 1.164 -2.221 -5.023 1.00 0.00 C ATOM 612 C ALA A 42 0.977 -2.078 -6.536 1.00 0.00 C ATOM 613 O ALA A 42 1.926 -1.877 -7.268 1.00 0.00 O ATOM 614 CB ALA A 42 1.205 -3.705 -4.660 1.00 0.00 C ATOM 0 H ALA A 42 -0.665 -2.210 -3.911 1.00 0.00 H new ATOM 0 HA ALA A 42 2.097 -1.737 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.030 -4.185 -5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.347 -3.813 -3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.266 -4.177 -4.951 1.00 0.00 H new ATOM 620 N SER A 43 -0.249 -2.176 -6.970 1.00 0.00 N ATOM 621 CA SER A 43 -0.529 -2.064 -8.432 1.00 0.00 C ATOM 622 C SER A 43 -0.042 -0.717 -8.980 1.00 0.00 C ATOM 623 O SER A 43 0.020 -0.525 -10.178 1.00 0.00 O ATOM 624 CB SER A 43 -2.034 -2.187 -8.660 1.00 0.00 C ATOM 625 OG SER A 43 -2.375 -1.014 -9.382 1.00 0.00 O ATOM 0 H SER A 43 -1.067 -2.328 -6.380 1.00 0.00 H new ATOM 0 HA SER A 43 0.001 -2.861 -8.953 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.279 -3.087 -9.224 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.576 -2.245 -7.716 1.00 0.00 H new ATOM 0 HG SER A 43 -3.336 -1.015 -9.573 1.00 0.00 H new ATOM 631 N ALA A 44 0.295 0.186 -8.097 1.00 0.00 N ATOM 632 CA ALA A 44 0.773 1.526 -8.564 1.00 0.00 C ATOM 633 C ALA A 44 2.302 1.596 -8.522 1.00 0.00 C ATOM 634 O ALA A 44 2.921 2.149 -9.410 1.00 0.00 O ATOM 635 CB ALA A 44 0.194 2.607 -7.659 1.00 0.00 C ATOM 0 H ALA A 44 0.262 0.059 -7.085 1.00 0.00 H new ATOM 0 HA ALA A 44 0.443 1.680 -9.591 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.539 3.585 -7.994 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.895 2.572 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.523 2.438 -6.634 1.00 0.00 H new ATOM 641 N GLY A 45 2.876 1.032 -7.490 1.00 0.00 N ATOM 642 CA GLY A 45 4.367 1.060 -7.367 1.00 0.00 C ATOM 643 C GLY A 45 4.788 1.433 -5.941 1.00 0.00 C ATOM 644 O GLY A 45 5.949 1.690 -5.684 1.00 0.00 O ATOM 0 H GLY A 45 2.384 0.557 -6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.776 0.084 -7.629 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.781 1.779 -8.073 1.00 0.00 H new ATOM 648 N PHE A 46 3.841 1.456 -5.044 1.00 0.00 N ATOM 649 CA PHE A 46 4.182 1.809 -3.634 1.00 0.00 C ATOM 650 C PHE A 46 4.642 0.559 -2.876 1.00 0.00 C ATOM 651 O PHE A 46 4.245 -0.544 -3.195 1.00 0.00 O ATOM 652 CB PHE A 46 2.946 2.393 -2.951 1.00 0.00 C ATOM 653 CG PHE A 46 2.627 3.757 -3.567 1.00 0.00 C ATOM 654 CD1 PHE A 46 3.235 4.904 -3.089 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.724 3.860 -4.611 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.946 6.133 -3.646 1.00 0.00 C ATOM 657 CE2 PHE A 46 1.437 5.090 -5.167 1.00 0.00 C ATOM 658 CZ PHE A 46 2.047 6.225 -4.685 1.00 0.00 C ATOM 0 H PHE A 46 2.858 1.249 -5.221 1.00 0.00 H new ATOM 0 HA PHE A 46 4.989 2.542 -3.631 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.097 1.719 -3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.122 2.497 -1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.941 4.837 -2.274 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.241 2.973 -4.993 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.425 7.023 -3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.732 5.162 -5.982 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.821 7.187 -5.121 1.00 0.00 H new ATOM 668 N VAL A 47 5.475 0.764 -1.888 1.00 0.00 N ATOM 669 CA VAL A 47 5.976 -0.398 -1.089 1.00 0.00 C ATOM 670 C VAL A 47 5.947 -0.068 0.402 1.00 0.00 C ATOM 671 O VAL A 47 5.808 1.077 0.784 1.00 0.00 O ATOM 672 CB VAL A 47 7.410 -0.709 -1.505 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.415 -1.212 -2.943 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.251 0.566 -1.413 1.00 0.00 C ATOM 0 H VAL A 47 5.828 1.677 -1.601 1.00 0.00 H new ATOM 0 HA VAL A 47 5.335 -1.260 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 47 7.827 -1.471 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.438 -1.436 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.809 -2.115 -3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.002 -0.445 -3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.277 0.347 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.835 1.325 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.241 0.935 -0.388 1.00 0.00 H new ATOM 684 N ARG A 48 6.081 -1.082 1.212 1.00 0.00 N ATOM 685 CA ARG A 48 6.063 -0.853 2.682 1.00 0.00 C ATOM 686 C ARG A 48 7.493 -0.802 3.228 1.00 0.00 C ATOM 687 O ARG A 48 8.253 -1.738 3.076 1.00 0.00 O ATOM 688 CB ARG A 48 5.301 -1.993 3.359 1.00 0.00 C ATOM 689 CG ARG A 48 3.863 -2.030 2.830 1.00 0.00 C ATOM 690 CD ARG A 48 2.989 -1.108 3.683 1.00 0.00 C ATOM 691 NE ARG A 48 2.455 -1.881 4.839 1.00 0.00 N ATOM 692 CZ ARG A 48 1.232 -1.672 5.239 1.00 0.00 C ATOM 693 NH1 ARG A 48 0.266 -1.715 4.362 1.00 0.00 N ATOM 694 NH2 ARG A 48 1.014 -1.427 6.502 1.00 0.00 N ATOM 0 H ARG A 48 6.201 -2.052 0.921 1.00 0.00 H new ATOM 0 HA ARG A 48 5.572 0.098 2.889 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.797 -2.944 3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.299 -1.852 4.440 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.838 -1.712 1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.477 -3.049 2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.572 -0.257 4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.169 -0.708 3.086 1.00 0.00 H new ATOM 0 HE ARG A 48 3.041 -2.568 5.313 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.475 -1.910 3.383 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.697 -1.554 4.656 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.794 -1.401 7.159 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.063 -1.261 6.833 1.00 0.00 H new ATOM 708 N ASP A 49 7.830 0.293 3.855 1.00 0.00 N ATOM 709 CA ASP A 49 9.204 0.419 4.417 1.00 0.00 C ATOM 710 C ASP A 49 9.322 -0.403 5.700 1.00 0.00 C ATOM 711 O ASP A 49 8.363 -0.552 6.434 1.00 0.00 O ATOM 712 CB ASP A 49 9.489 1.880 4.733 1.00 0.00 C ATOM 713 CG ASP A 49 10.999 2.122 4.669 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.616 1.957 5.709 1.00 0.00 O ATOM 715 OD2 ASP A 49 11.449 2.456 3.588 1.00 0.00 O ATOM 0 H ASP A 49 7.220 1.097 4.001 1.00 0.00 H new ATOM 0 HA ASP A 49 9.923 0.050 3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.974 2.526 4.021 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.110 2.131 5.724 1.00 0.00 H new ATOM 720 N ALA A 50 10.500 -0.906 5.946 1.00 0.00 N ATOM 721 CA ALA A 50 10.711 -1.729 7.168 1.00 0.00 C ATOM 722 C ALA A 50 10.096 -1.032 8.379 1.00 0.00 C ATOM 723 O ALA A 50 9.727 -1.669 9.347 1.00 0.00 O ATOM 724 CB ALA A 50 12.209 -1.916 7.395 1.00 0.00 C ATOM 0 H ALA A 50 11.323 -0.783 5.356 1.00 0.00 H new ATOM 0 HA ALA A 50 10.233 -2.700 7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.369 -2.518 8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.647 -2.421 6.534 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.682 -0.942 7.524 1.00 0.00 H new ATOM 730 N GLN A 51 9.999 0.264 8.301 1.00 0.00 N ATOM 731 CA GLN A 51 9.409 1.021 9.440 1.00 0.00 C ATOM 732 C GLN A 51 7.883 1.009 9.330 1.00 0.00 C ATOM 733 O GLN A 51 7.210 1.855 9.884 1.00 0.00 O ATOM 734 CB GLN A 51 9.914 2.463 9.403 1.00 0.00 C ATOM 735 CG GLN A 51 11.441 2.466 9.524 1.00 0.00 C ATOM 736 CD GLN A 51 12.058 2.779 8.159 1.00 0.00 C ATOM 737 OE1 GLN A 51 11.668 3.716 7.490 1.00 0.00 O ATOM 738 NE2 GLN A 51 13.020 2.021 7.710 1.00 0.00 N ATOM 0 H GLN A 51 10.299 0.829 7.506 1.00 0.00 H new ATOM 0 HA GLN A 51 9.705 0.554 10.380 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.610 2.943 8.473 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.472 3.037 10.217 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.757 3.208 10.257 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.791 1.497 9.880 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.351 1.233 8.267 1.00 0.00 H new ATOM 0 HE22 GLN A 51 13.441 2.216 6.802 1.00 0.00 H new ATOM 747 N GLY A 52 7.371 0.045 8.618 1.00 0.00 N ATOM 748 CA GLY A 52 5.897 -0.040 8.453 1.00 0.00 C ATOM 749 C GLY A 52 5.361 1.266 7.874 1.00 0.00 C ATOM 750 O GLY A 52 4.317 1.740 8.277 1.00 0.00 O ATOM 0 H GLY A 52 7.907 -0.683 8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.644 -0.871 7.794 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.426 -0.241 9.415 1.00 0.00 H new ATOM 754 N ASN A 53 6.094 1.821 6.936 1.00 0.00 N ATOM 755 CA ASN A 53 5.647 3.112 6.310 1.00 0.00 C ATOM 756 C ASN A 53 5.495 2.949 4.796 1.00 0.00 C ATOM 757 O ASN A 53 6.443 2.649 4.102 1.00 0.00 O ATOM 758 CB ASN A 53 6.686 4.193 6.600 1.00 0.00 C ATOM 759 CG ASN A 53 6.539 4.664 8.047 1.00 0.00 C ATOM 760 OD1 ASN A 53 7.263 4.097 8.972 1.00 0.00 O flip ATOM 761 ND2 ASN A 53 5.764 5.550 8.347 1.00 0.00 N flip ATOM 0 H ASN A 53 6.972 1.443 6.579 1.00 0.00 H new ATOM 0 HA ASN A 53 4.682 3.395 6.731 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.690 3.802 6.433 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.554 5.033 5.918 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.196 5.996 7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.681 5.848 9.319 1.00 0.00 H new ATOM 768 N CYS A 54 4.300 3.162 4.317 1.00 0.00 N ATOM 769 CA CYS A 54 4.059 3.025 2.850 1.00 0.00 C ATOM 770 C CYS A 54 4.686 4.200 2.096 1.00 0.00 C ATOM 771 O CYS A 54 4.297 5.336 2.281 1.00 0.00 O ATOM 772 CB CYS A 54 2.555 3.000 2.589 1.00 0.00 C ATOM 773 SG CYS A 54 2.010 3.177 0.873 1.00 0.00 S ATOM 0 H CYS A 54 3.485 3.423 4.872 1.00 0.00 H new ATOM 0 HA CYS A 54 4.514 2.099 2.500 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.161 2.059 2.973 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.098 3.799 3.173 1.00 0.00 H new ATOM 778 N ILE A 55 5.643 3.899 1.258 1.00 0.00 N ATOM 779 CA ILE A 55 6.305 4.990 0.483 1.00 0.00 C ATOM 780 C ILE A 55 6.650 4.511 -0.931 1.00 0.00 C ATOM 781 O ILE A 55 6.867 3.338 -1.157 1.00 0.00 O ATOM 782 CB ILE A 55 7.589 5.414 1.199 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.560 4.224 1.256 1.00 0.00 C ATOM 784 CG2 ILE A 55 7.254 5.856 2.623 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.777 4.608 2.099 1.00 0.00 C ATOM 0 H ILE A 55 5.992 2.958 1.078 1.00 0.00 H new ATOM 0 HA ILE A 55 5.620 5.835 0.412 1.00 0.00 H new ATOM 0 HB ILE A 55 8.051 6.239 0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.064 3.355 1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.873 3.946 0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.168 6.158 3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.562 6.697 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.793 5.028 3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.469 3.767 2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.276 5.466 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.454 4.865 3.108 1.00 0.00 H new ATOM 797 N LYS A 56 6.690 5.435 -1.846 1.00 0.00 N ATOM 798 CA LYS A 56 7.030 5.061 -3.254 1.00 0.00 C ATOM 799 C LYS A 56 8.280 4.171 -3.283 1.00 0.00 C ATOM 800 O LYS A 56 9.096 4.213 -2.384 1.00 0.00 O ATOM 801 CB LYS A 56 7.307 6.332 -4.063 1.00 0.00 C ATOM 802 CG LYS A 56 6.086 7.250 -4.004 1.00 0.00 C ATOM 803 CD LYS A 56 6.485 8.643 -4.498 1.00 0.00 C ATOM 804 CE LYS A 56 7.029 8.534 -5.925 1.00 0.00 C ATOM 805 NZ LYS A 56 6.855 9.825 -6.649 1.00 0.00 N ATOM 0 H LYS A 56 6.505 6.425 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 56 6.191 4.515 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.181 6.846 -3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.533 6.075 -5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.282 6.848 -4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.707 7.307 -2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.624 9.311 -4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.240 9.073 -3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.085 8.264 -5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.510 7.738 -6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.229 9.734 -7.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.844 10.066 -6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.370 10.576 -6.148 1.00 0.00 H new ATOM 819 N PHE A 57 8.400 3.387 -4.320 1.00 0.00 N ATOM 820 CA PHE A 57 9.593 2.495 -4.436 1.00 0.00 C ATOM 821 C PHE A 57 10.868 3.343 -4.556 1.00 0.00 C ATOM 822 O PHE A 57 11.883 3.031 -3.972 1.00 0.00 O ATOM 823 CB PHE A 57 9.440 1.630 -5.691 1.00 0.00 C ATOM 824 CG PHE A 57 9.881 0.191 -5.398 1.00 0.00 C ATOM 825 CD1 PHE A 57 11.086 -0.068 -4.767 1.00 0.00 C ATOM 826 CD2 PHE A 57 9.074 -0.874 -5.762 1.00 0.00 C ATOM 827 CE1 PHE A 57 11.476 -1.366 -4.510 1.00 0.00 C ATOM 828 CE2 PHE A 57 9.469 -2.171 -5.504 1.00 0.00 C ATOM 829 CZ PHE A 57 10.666 -2.416 -4.878 1.00 0.00 C ATOM 0 H PHE A 57 7.730 3.324 -5.087 1.00 0.00 H new ATOM 0 HA PHE A 57 9.667 1.864 -3.551 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.402 1.640 -6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.039 2.044 -6.502 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.725 0.752 -4.474 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.129 -0.688 -6.251 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.419 -1.559 -4.019 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.835 -2.995 -5.795 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.972 -3.432 -4.675 1.00 0.00 H new ATOM 839 N GLU A 58 10.777 4.407 -5.308 1.00 0.00 N ATOM 840 CA GLU A 58 11.973 5.285 -5.488 1.00 0.00 C ATOM 841 C GLU A 58 12.409 5.887 -4.145 1.00 0.00 C ATOM 842 O GLU A 58 13.433 6.534 -4.060 1.00 0.00 O ATOM 843 CB GLU A 58 11.622 6.409 -6.460 1.00 0.00 C ATOM 844 CG GLU A 58 11.754 5.893 -7.893 1.00 0.00 C ATOM 845 CD GLU A 58 11.078 6.877 -8.851 1.00 0.00 C ATOM 846 OE1 GLU A 58 10.852 7.991 -8.410 1.00 0.00 O ATOM 847 OE2 GLU A 58 10.825 6.457 -9.969 1.00 0.00 O ATOM 0 H GLU A 58 9.936 4.706 -5.802 1.00 0.00 H new ATOM 0 HA GLU A 58 12.795 4.689 -5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.606 6.759 -6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.285 7.261 -6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.806 5.778 -8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.294 4.909 -7.981 1.00 0.00 H new ATOM 854 N ASP A 59 11.619 5.656 -3.128 1.00 0.00 N ATOM 855 CA ASP A 59 11.967 6.211 -1.781 1.00 0.00 C ATOM 856 C ASP A 59 12.496 5.096 -0.873 1.00 0.00 C ATOM 857 O ASP A 59 12.331 5.142 0.329 1.00 0.00 O ATOM 858 CB ASP A 59 10.714 6.824 -1.157 1.00 0.00 C ATOM 859 CG ASP A 59 10.467 8.203 -1.772 1.00 0.00 C ATOM 860 OD1 ASP A 59 11.082 8.459 -2.794 1.00 0.00 O ATOM 861 OD2 ASP A 59 9.675 8.923 -1.186 1.00 0.00 O ATOM 0 H ASP A 59 10.756 5.113 -3.168 1.00 0.00 H new ATOM 0 HA ASP A 59 12.739 6.972 -1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.854 6.177 -1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.836 6.911 -0.077 1.00 0.00 H new ATOM 866 N CYS A 60 13.121 4.122 -1.469 1.00 0.00 N ATOM 867 CA CYS A 60 13.662 2.994 -0.655 1.00 0.00 C ATOM 868 C CYS A 60 15.150 3.246 -0.319 1.00 0.00 C ATOM 869 O CYS A 60 15.803 4.038 -0.967 1.00 0.00 O ATOM 870 CB CYS A 60 13.534 1.709 -1.463 1.00 0.00 C ATOM 871 SG CYS A 60 12.224 0.566 -0.989 1.00 0.00 S ATOM 0 H CYS A 60 13.281 4.055 -2.474 1.00 0.00 H new ATOM 0 HA CYS A 60 13.102 2.912 0.277 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.384 1.980 -2.508 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.484 1.177 -1.405 1.00 0.00 H new ATOM 876 N PRO A 61 15.656 2.559 0.701 1.00 0.00 N ATOM 877 CA PRO A 61 17.062 2.709 1.100 1.00 0.00 C ATOM 878 C PRO A 61 17.995 2.397 -0.078 1.00 0.00 C ATOM 879 O PRO A 61 17.547 2.177 -1.185 1.00 0.00 O ATOM 880 CB PRO A 61 17.274 1.691 2.230 1.00 0.00 C ATOM 881 CG PRO A 61 15.921 0.948 2.444 1.00 0.00 C ATOM 882 CD PRO A 61 14.884 1.598 1.514 1.00 0.00 C ATOM 0 HA PRO A 61 17.284 3.727 1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 61 18.063 0.985 1.969 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.586 2.193 3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.027 -0.113 2.218 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.603 1.022 3.484 1.00 0.00 H new ATOM 0 HD2 PRO A 61 14.394 0.854 0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 61 14.102 2.100 2.083 1.00 0.00 H new ATOM 890 N LYS A 62 19.273 2.386 0.188 1.00 0.00 N ATOM 891 CA LYS A 62 20.243 2.086 -0.905 1.00 0.00 C ATOM 892 C LYS A 62 21.523 1.477 -0.325 1.00 0.00 C ATOM 893 O LYS A 62 21.716 1.657 0.866 1.00 0.00 O ATOM 894 CB LYS A 62 20.581 3.383 -1.638 1.00 0.00 C ATOM 895 CG LYS A 62 21.207 4.368 -0.651 1.00 0.00 C ATOM 896 CD LYS A 62 22.713 4.444 -0.907 1.00 0.00 C ATOM 897 CE LYS A 62 23.369 5.264 0.206 1.00 0.00 C ATOM 898 NZ LYS A 62 24.669 5.824 -0.259 1.00 0.00 N ATOM 899 OXT LYS A 62 22.234 0.866 -1.106 1.00 0.00 O ATOM 0 H LYS A 62 19.684 2.569 1.103 1.00 0.00 H new ATOM 0 HA LYS A 62 19.797 1.371 -1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 62 21.271 3.183 -2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 62 19.680 3.812 -2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 62 20.756 5.354 -0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 62 21.015 4.047 0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 62 23.140 3.442 -0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 62 22.907 4.903 -1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 62 22.705 6.073 0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 62 23.529 4.637 1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 25.102 6.378 0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 25.306 5.047 -0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 24.508 6.439 -1.082 1.00 0.00 H new TER 913 LYS A 62