USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 445 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -154:sc= -0.0729 (180deg=-0.497) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0334! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -2.04 K(o=-2,f=-4.3!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -120:sc= 0.296 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 115:sc= 0.59 USER MOD Single : A 24 GLN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= 0.427 (180deg=0.324) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : A 34 LYS NZ :NH3+ 151:sc= -0.0212 (180deg=-0.325) USER MOD Single : A 43 SER OG : rot -25:sc= 0.703! USER MOD Single : A 51 GLN : amide:sc=-0.00823 X(o=-0.0082,f=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.59 F(o=-5!,f=-1.6) 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 -16.730 12.318 -6.534 1.00 0.00 N ATOM 2 CA GLU A 1 -17.243 10.990 -6.983 1.00 0.00 C ATOM 3 C GLU A 1 -16.619 9.889 -6.120 1.00 0.00 C ATOM 4 O GLU A 1 -17.297 9.249 -5.339 1.00 0.00 O ATOM 5 CB GLU A 1 -16.890 10.742 -8.449 1.00 0.00 C ATOM 6 CG GLU A 1 -17.631 9.498 -8.941 1.00 0.00 C ATOM 7 CD GLU A 1 -18.720 9.916 -9.932 1.00 0.00 C ATOM 8 OE1 GLU A 1 -18.354 10.577 -10.891 1.00 0.00 O ATOM 9 OE2 GLU A 1 -19.855 9.553 -9.674 1.00 0.00 O ATOM 0 H1 GLU A 1 -17.152 13.068 -7.118 1.00 0.00 H new ATOM 0 H2 GLU A 1 -16.985 12.470 -5.537 1.00 0.00 H new ATOM 0 H3 GLU A 1 -15.695 12.342 -6.634 1.00 0.00 H new ATOM 0 HA GLU A 1 -18.328 10.981 -6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -17.165 11.607 -9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -15.814 10.606 -8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.933 8.810 -9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -18.074 8.968 -8.098 1.00 0.00 H new ATOM 18 N ALA A 2 -15.339 9.690 -6.279 1.00 0.00 N ATOM 19 CA ALA A 2 -14.656 8.636 -5.474 1.00 0.00 C ATOM 20 C ALA A 2 -14.041 9.250 -4.212 1.00 0.00 C ATOM 21 O ALA A 2 -13.461 10.317 -4.257 1.00 0.00 O ATOM 22 CB ALA A 2 -13.554 7.996 -6.318 1.00 0.00 C ATOM 0 H ALA A 2 -14.741 10.206 -6.925 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.385 7.881 -5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.051 7.225 -5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.992 7.549 -7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.832 8.758 -6.612 1.00 0.00 H new ATOM 28 N GLU A 3 -14.182 8.563 -3.113 1.00 0.00 N ATOM 29 CA GLU A 3 -13.614 9.093 -1.838 1.00 0.00 C ATOM 30 C GLU A 3 -12.096 8.881 -1.804 1.00 0.00 C ATOM 31 O GLU A 3 -11.625 7.760 -1.791 1.00 0.00 O ATOM 32 CB GLU A 3 -14.257 8.359 -0.664 1.00 0.00 C ATOM 33 CG GLU A 3 -15.780 8.408 -0.816 1.00 0.00 C ATOM 34 CD GLU A 3 -16.309 6.996 -1.070 1.00 0.00 C ATOM 35 OE1 GLU A 3 -15.934 6.130 -0.296 1.00 0.00 O ATOM 36 OE2 GLU A 3 -17.058 6.862 -2.024 1.00 0.00 O ATOM 0 H GLU A 3 -14.661 7.665 -3.040 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.821 10.161 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.915 7.324 -0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.958 8.820 0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.234 8.822 0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.053 9.065 -1.642 1.00 0.00 H new ATOM 43 N LYS A 4 -11.364 9.964 -1.790 1.00 0.00 N ATOM 44 CA LYS A 4 -9.873 9.848 -1.757 1.00 0.00 C ATOM 45 C LYS A 4 -9.356 10.036 -0.327 1.00 0.00 C ATOM 46 O LYS A 4 -10.128 10.245 0.589 1.00 0.00 O ATOM 47 CB LYS A 4 -9.256 10.913 -2.671 1.00 0.00 C ATOM 48 CG LYS A 4 -10.114 12.187 -2.641 1.00 0.00 C ATOM 49 CD LYS A 4 -10.240 12.680 -1.198 1.00 0.00 C ATOM 50 CE LYS A 4 -10.707 14.137 -1.208 1.00 0.00 C ATOM 51 NZ LYS A 4 -9.621 15.029 -1.701 1.00 0.00 N ATOM 0 H LYS A 4 -11.728 10.917 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.588 8.856 -2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.241 11.140 -2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.187 10.534 -3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.660 12.959 -3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.102 11.984 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.950 12.061 -0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.281 12.595 -0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.586 14.239 -1.844 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.004 14.437 -0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.752 15.984 -1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.699 14.654 -1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.652 15.072 -2.740 1.00 0.00 H new ATOM 65 N CYS A 5 -8.058 9.961 -0.171 1.00 0.00 N ATOM 66 CA CYS A 5 -7.465 10.128 1.192 1.00 0.00 C ATOM 67 C CYS A 5 -6.826 11.513 1.331 1.00 0.00 C ATOM 68 O CYS A 5 -7.060 12.391 0.524 1.00 0.00 O ATOM 69 CB CYS A 5 -6.408 9.050 1.408 1.00 0.00 C ATOM 70 SG CYS A 5 -6.905 7.339 1.089 1.00 0.00 S ATOM 0 H CYS A 5 -7.388 9.793 -0.921 1.00 0.00 H new ATOM 0 HA CYS A 5 -8.252 10.033 1.940 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.554 9.280 0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.062 9.116 2.440 1.00 0.00 H new ATOM 75 N THR A 6 -6.032 11.674 2.357 1.00 0.00 N ATOM 76 CA THR A 6 -5.376 12.989 2.583 1.00 0.00 C ATOM 77 C THR A 6 -3.904 12.957 2.144 1.00 0.00 C ATOM 78 O THR A 6 -3.524 13.610 1.193 1.00 0.00 O ATOM 79 CB THR A 6 -5.454 13.313 4.072 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.766 12.244 4.714 1.00 0.00 O ATOM 81 CG2 THR A 6 -6.889 13.233 4.587 1.00 0.00 C ATOM 0 H THR A 6 -5.812 10.953 3.044 1.00 0.00 H new ATOM 0 HA THR A 6 -5.887 13.749 1.992 1.00 0.00 H new ATOM 0 HB THR A 6 -5.055 14.311 4.256 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.773 12.386 5.684 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.907 13.470 5.651 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.510 13.947 4.046 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.275 12.226 4.433 1.00 0.00 H new ATOM 89 N LYS A 7 -3.112 12.195 2.846 1.00 0.00 N ATOM 90 CA LYS A 7 -1.659 12.126 2.498 1.00 0.00 C ATOM 91 C LYS A 7 -1.439 11.208 1.268 1.00 0.00 C ATOM 92 O LYS A 7 -2.264 10.365 0.972 1.00 0.00 O ATOM 93 CB LYS A 7 -0.904 11.560 3.703 1.00 0.00 C ATOM 94 CG LYS A 7 -0.324 12.714 4.525 1.00 0.00 C ATOM 95 CD LYS A 7 -0.005 12.213 5.934 1.00 0.00 C ATOM 96 CE LYS A 7 0.817 10.926 5.833 1.00 0.00 C ATOM 97 NZ LYS A 7 1.495 10.638 7.128 1.00 0.00 N ATOM 0 H LYS A 7 -3.401 11.621 3.638 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.293 13.123 2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.575 10.961 4.319 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.104 10.899 3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.578 13.098 4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.036 13.538 4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.550 12.971 6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.927 12.028 6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.168 10.093 5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.559 11.023 5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.049 9.762 7.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.129 11.426 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.781 10.525 7.876 1.00 0.00 H new ATOM 111 N PRO A 8 -0.316 11.391 0.568 1.00 0.00 N ATOM 112 CA PRO A 8 -0.001 10.567 -0.612 1.00 0.00 C ATOM 113 C PRO A 8 0.082 9.083 -0.232 1.00 0.00 C ATOM 114 O PRO A 8 -0.172 8.719 0.898 1.00 0.00 O ATOM 115 CB PRO A 8 1.366 11.061 -1.101 1.00 0.00 C ATOM 116 CG PRO A 8 1.847 12.159 -0.106 1.00 0.00 C ATOM 117 CD PRO A 8 0.700 12.416 0.887 1.00 0.00 C ATOM 0 HA PRO A 8 -0.770 10.657 -1.379 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.080 10.238 -1.140 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.290 11.465 -2.111 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.744 11.833 0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.105 13.074 -0.640 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.042 12.326 1.918 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.296 13.422 0.772 1.00 0.00 H new ATOM 125 N ASN A 9 0.445 8.262 -1.186 1.00 0.00 N ATOM 126 CA ASN A 9 0.549 6.798 -0.899 1.00 0.00 C ATOM 127 C ASN A 9 -0.775 6.285 -0.326 1.00 0.00 C ATOM 128 O ASN A 9 -1.582 5.738 -1.048 1.00 0.00 O ATOM 129 CB ASN A 9 1.685 6.561 0.096 1.00 0.00 C ATOM 130 CG ASN A 9 2.971 7.196 -0.445 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.713 6.586 -1.191 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.271 8.416 -0.092 1.00 0.00 N ATOM 0 H ASN A 9 0.672 8.538 -2.141 1.00 0.00 H new ATOM 0 HA ASN A 9 0.761 6.257 -1.821 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.432 6.993 1.064 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.831 5.492 0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.124 8.853 -0.442 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.653 8.933 0.533 1.00 0.00 H new ATOM 139 N GLU A 10 -0.970 6.459 0.955 1.00 0.00 N ATOM 140 CA GLU A 10 -2.253 6.001 1.555 1.00 0.00 C ATOM 141 C GLU A 10 -3.403 6.475 0.669 1.00 0.00 C ATOM 142 O GLU A 10 -3.865 7.592 0.797 1.00 0.00 O ATOM 143 CB GLU A 10 -2.399 6.599 2.954 1.00 0.00 C ATOM 144 CG GLU A 10 -1.553 5.789 3.938 1.00 0.00 C ATOM 145 CD GLU A 10 -1.486 6.530 5.275 1.00 0.00 C ATOM 146 OE1 GLU A 10 -2.329 7.391 5.460 1.00 0.00 O ATOM 147 OE2 GLU A 10 -0.595 6.192 6.037 1.00 0.00 O ATOM 0 H GLU A 10 -0.308 6.891 1.600 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.267 4.914 1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.079 7.641 2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.445 6.588 3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.986 4.799 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.549 5.644 3.539 1.00 0.00 H new ATOM 154 N GLN A 11 -3.839 5.610 -0.210 1.00 0.00 N ATOM 155 CA GLN A 11 -4.937 5.991 -1.146 1.00 0.00 C ATOM 156 C GLN A 11 -6.137 5.085 -0.940 1.00 0.00 C ATOM 157 O GLN A 11 -6.050 4.077 -0.272 1.00 0.00 O ATOM 158 CB GLN A 11 -4.442 5.846 -2.581 1.00 0.00 C ATOM 159 CG GLN A 11 -5.038 6.968 -3.434 1.00 0.00 C ATOM 160 CD GLN A 11 -4.942 6.584 -4.914 1.00 0.00 C ATOM 161 OE1 GLN A 11 -5.860 6.027 -5.482 1.00 0.00 O ATOM 162 NE2 GLN A 11 -3.851 6.865 -5.571 1.00 0.00 N ATOM 0 H GLN A 11 -3.484 4.660 -0.320 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.231 7.023 -0.952 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.353 5.891 -2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.732 4.875 -2.982 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.079 7.137 -3.157 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.504 7.901 -3.253 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.077 7.333 -5.099 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.771 6.617 -6.557 1.00 0.00 H new ATOM 171 N TRP A 12 -7.229 5.454 -1.522 1.00 0.00 N ATOM 172 CA TRP A 12 -8.441 4.621 -1.366 1.00 0.00 C ATOM 173 C TRP A 12 -8.315 3.346 -2.176 1.00 0.00 C ATOM 174 O TRP A 12 -7.905 3.373 -3.319 1.00 0.00 O ATOM 175 CB TRP A 12 -9.648 5.388 -1.867 1.00 0.00 C ATOM 176 CG TRP A 12 -10.865 4.458 -1.855 1.00 0.00 C ATOM 177 CD1 TRP A 12 -11.325 3.801 -2.920 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.629 4.242 -0.809 1.00 0.00 C ATOM 179 NE1 TRP A 12 -12.424 3.177 -2.454 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.686 3.413 -1.125 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.480 4.708 0.478 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.599 3.063 -0.160 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.392 4.354 1.450 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.455 3.531 1.132 1.00 0.00 C ATOM 0 H TRP A 12 -7.338 6.290 -2.096 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.556 4.373 -0.311 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.831 6.257 -1.235 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.467 5.759 -2.876 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.914 3.775 -3.919 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.011 2.581 -3.037 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.649 5.351 0.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.430 2.421 -0.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.275 4.720 2.459 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.172 3.254 1.891 1.00 0.00 H new ATOM 195 N THR A 13 -8.667 2.254 -1.567 1.00 0.00 N ATOM 196 CA THR A 13 -8.606 0.968 -2.297 1.00 0.00 C ATOM 197 C THR A 13 -9.800 0.099 -1.898 1.00 0.00 C ATOM 198 O THR A 13 -9.943 -0.278 -0.748 1.00 0.00 O ATOM 199 CB THR A 13 -7.294 0.247 -1.971 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.261 -0.864 -2.861 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.317 -0.360 -0.574 1.00 0.00 C ATOM 0 H THR A 13 -8.992 2.197 -0.602 1.00 0.00 H new ATOM 0 HA THR A 13 -8.644 1.156 -3.370 1.00 0.00 H new ATOM 0 HB THR A 13 -6.459 0.944 -2.049 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.226 -1.696 -2.344 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.369 -0.862 -0.380 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.467 0.429 0.163 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.131 -1.081 -0.504 1.00 0.00 H new ATOM 209 N LYS A 14 -10.642 -0.186 -2.853 1.00 0.00 N ATOM 210 CA LYS A 14 -11.835 -1.019 -2.548 1.00 0.00 C ATOM 211 C LYS A 14 -11.403 -2.405 -2.056 1.00 0.00 C ATOM 212 O LYS A 14 -12.189 -3.138 -1.490 1.00 0.00 O ATOM 213 CB LYS A 14 -12.675 -1.159 -3.812 1.00 0.00 C ATOM 214 CG LYS A 14 -13.938 -0.307 -3.657 1.00 0.00 C ATOM 215 CD LYS A 14 -14.763 -0.375 -4.943 1.00 0.00 C ATOM 216 CE LYS A 14 -15.741 -1.546 -4.852 1.00 0.00 C ATOM 217 NZ LYS A 14 -16.297 -1.867 -6.197 1.00 0.00 N ATOM 0 H LYS A 14 -10.556 0.119 -3.822 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.421 -0.540 -1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.105 -0.835 -4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.941 -2.203 -3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.529 -0.665 -2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.668 0.726 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.307 0.558 -5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.107 -0.500 -5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.234 -2.420 -4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.551 -1.298 -4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.960 -2.665 -6.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.798 -1.037 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.522 -2.124 -6.841 1.00 0.00 H new ATOM 231 N CYS A 15 -10.157 -2.732 -2.284 1.00 0.00 N ATOM 232 CA CYS A 15 -9.648 -4.060 -1.835 1.00 0.00 C ATOM 233 C CYS A 15 -8.222 -3.928 -1.290 1.00 0.00 C ATOM 234 O CYS A 15 -7.280 -3.779 -2.043 1.00 0.00 O ATOM 235 CB CYS A 15 -9.643 -5.017 -3.022 1.00 0.00 C ATOM 236 SG CYS A 15 -8.318 -6.251 -3.083 1.00 0.00 S ATOM 0 H CYS A 15 -9.475 -2.141 -2.759 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.295 -4.441 -1.045 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.597 -5.544 -3.035 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.594 -4.423 -3.935 1.00 0.00 H new ATOM 241 N GLY A 16 -8.093 -3.988 0.006 1.00 0.00 N ATOM 242 CA GLY A 16 -6.736 -3.877 0.613 1.00 0.00 C ATOM 243 C GLY A 16 -6.157 -5.272 0.858 1.00 0.00 C ATOM 244 O GLY A 16 -6.254 -6.140 0.014 1.00 0.00 O ATOM 0 H GLY A 16 -8.861 -4.108 0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.078 -3.312 -0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.793 -3.328 1.553 1.00 0.00 H new ATOM 248 N GLY A 17 -5.565 -5.454 2.014 1.00 0.00 N ATOM 249 CA GLY A 17 -4.974 -6.786 2.349 1.00 0.00 C ATOM 250 C GLY A 17 -3.472 -6.656 2.601 1.00 0.00 C ATOM 251 O GLY A 17 -3.034 -5.787 3.327 1.00 0.00 O ATOM 0 H GLY A 17 -5.466 -4.741 2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.463 -7.196 3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.153 -7.486 1.533 1.00 0.00 H new ATOM 255 N CYS A 18 -2.714 -7.528 1.994 1.00 0.00 N ATOM 256 CA CYS A 18 -1.236 -7.474 2.189 1.00 0.00 C ATOM 257 C CYS A 18 -0.613 -6.475 1.210 1.00 0.00 C ATOM 258 O CYS A 18 -1.308 -5.708 0.573 1.00 0.00 O ATOM 259 CB CYS A 18 -0.651 -8.862 1.941 1.00 0.00 C ATOM 260 SG CYS A 18 -1.706 -10.287 2.304 1.00 0.00 S ATOM 0 H CYS A 18 -3.049 -8.268 1.378 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.017 -7.154 3.208 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.355 -8.920 0.894 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.258 -8.956 2.535 1.00 0.00 H new ATOM 265 N GLU A 19 0.687 -6.504 1.114 1.00 0.00 N ATOM 266 CA GLU A 19 1.374 -5.563 0.182 1.00 0.00 C ATOM 267 C GLU A 19 2.742 -6.125 -0.222 1.00 0.00 C ATOM 268 O GLU A 19 2.901 -7.319 -0.377 1.00 0.00 O ATOM 269 CB GLU A 19 1.552 -4.214 0.876 1.00 0.00 C ATOM 270 CG GLU A 19 1.523 -3.105 -0.177 1.00 0.00 C ATOM 271 CD GLU A 19 0.085 -2.912 -0.667 1.00 0.00 C ATOM 272 OE1 GLU A 19 -0.769 -2.797 0.195 1.00 0.00 O ATOM 273 OE2 GLU A 19 -0.076 -2.892 -1.874 1.00 0.00 O ATOM 0 H GLU A 19 1.300 -7.132 1.635 1.00 0.00 H new ATOM 0 HA GLU A 19 0.770 -5.437 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.759 -4.059 1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.496 -4.192 1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.903 -2.175 0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.173 -3.364 -1.013 1.00 0.00 H new ATOM 280 N GLY A 20 3.700 -5.255 -0.391 1.00 0.00 N ATOM 281 CA GLY A 20 5.053 -5.733 -0.788 1.00 0.00 C ATOM 282 C GLY A 20 6.144 -4.842 -0.193 1.00 0.00 C ATOM 283 O GLY A 20 5.896 -4.072 0.713 1.00 0.00 O ATOM 0 H GLY A 20 3.606 -4.246 -0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.193 -6.760 -0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.136 -5.740 -1.875 1.00 0.00 H new ATOM 287 N THR A 21 7.332 -4.969 -0.719 1.00 0.00 N ATOM 288 CA THR A 21 8.459 -4.138 -0.201 1.00 0.00 C ATOM 289 C THR A 21 9.419 -3.792 -1.340 1.00 0.00 C ATOM 290 O THR A 21 9.157 -4.090 -2.488 1.00 0.00 O ATOM 291 CB THR A 21 9.208 -4.924 0.879 1.00 0.00 C ATOM 292 OG1 THR A 21 10.116 -5.754 0.160 1.00 0.00 O ATOM 293 CG2 THR A 21 8.282 -5.885 1.620 1.00 0.00 C ATOM 0 H THR A 21 7.571 -5.606 -1.479 1.00 0.00 H new ATOM 0 HA THR A 21 8.063 -3.215 0.222 1.00 0.00 H new ATOM 0 HB THR A 21 9.660 -4.235 1.593 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.036 -5.488 0.367 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.849 -6.425 2.378 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.481 -5.322 2.099 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.854 -6.596 0.913 1.00 0.00 H new ATOM 301 N CYS A 22 10.517 -3.176 -0.998 1.00 0.00 N ATOM 302 CA CYS A 22 11.497 -2.800 -2.052 1.00 0.00 C ATOM 303 C CYS A 22 12.205 -4.052 -2.569 1.00 0.00 C ATOM 304 O CYS A 22 13.159 -3.968 -3.318 1.00 0.00 O ATOM 305 CB CYS A 22 12.522 -1.831 -1.469 1.00 0.00 C ATOM 306 SG CYS A 22 13.474 -0.831 -2.635 1.00 0.00 S ATOM 0 H CYS A 22 10.775 -2.920 -0.045 1.00 0.00 H new ATOM 0 HA CYS A 22 10.974 -2.320 -2.879 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.000 -1.155 -0.792 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.225 -2.406 -0.866 1.00 0.00 H new ATOM 311 N ALA A 23 11.711 -5.189 -2.151 1.00 0.00 N ATOM 312 CA ALA A 23 12.321 -6.479 -2.591 1.00 0.00 C ATOM 313 C ALA A 23 11.252 -7.361 -3.244 1.00 0.00 C ATOM 314 O ALA A 23 11.550 -8.181 -4.091 1.00 0.00 O ATOM 315 CB ALA A 23 12.895 -7.191 -1.368 1.00 0.00 C ATOM 0 H ALA A 23 10.912 -5.280 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 23 13.112 -6.286 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.344 -8.136 -1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.654 -6.562 -0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.097 -7.384 -0.652 1.00 0.00 H new ATOM 321 N GLN A 24 10.028 -7.170 -2.832 1.00 0.00 N ATOM 322 CA GLN A 24 8.916 -7.980 -3.413 1.00 0.00 C ATOM 323 C GLN A 24 7.659 -7.128 -3.517 1.00 0.00 C ATOM 324 O GLN A 24 6.824 -7.140 -2.636 1.00 0.00 O ATOM 325 CB GLN A 24 8.643 -9.190 -2.518 1.00 0.00 C ATOM 326 CG GLN A 24 9.973 -9.824 -2.101 1.00 0.00 C ATOM 327 CD GLN A 24 9.697 -11.107 -1.314 1.00 0.00 C ATOM 328 OE1 GLN A 24 10.061 -11.232 -0.162 1.00 0.00 O ATOM 329 NE2 GLN A 24 9.056 -12.083 -1.897 1.00 0.00 N ATOM 0 H GLN A 24 9.750 -6.492 -2.122 1.00 0.00 H new ATOM 0 HA GLN A 24 9.201 -8.322 -4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.081 -8.884 -1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 24 8.031 -9.919 -3.049 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.575 -10.047 -2.982 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.546 -9.126 -1.491 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.747 -11.985 -2.864 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.864 -12.944 -1.385 1.00 0.00 H new ATOM 338 N LYS A 25 7.557 -6.408 -4.593 1.00 0.00 N ATOM 339 CA LYS A 25 6.365 -5.542 -4.790 1.00 0.00 C ATOM 340 C LYS A 25 5.090 -6.309 -4.405 1.00 0.00 C ATOM 341 O LYS A 25 4.118 -5.719 -3.974 1.00 0.00 O ATOM 342 CB LYS A 25 6.307 -5.123 -6.276 1.00 0.00 C ATOM 343 CG LYS A 25 5.589 -3.763 -6.451 1.00 0.00 C ATOM 344 CD LYS A 25 4.097 -3.995 -6.635 1.00 0.00 C ATOM 345 CE LYS A 25 3.783 -4.109 -8.128 1.00 0.00 C ATOM 346 NZ LYS A 25 2.460 -4.764 -8.333 1.00 0.00 N ATOM 0 H LYS A 25 8.246 -6.380 -5.345 1.00 0.00 H new ATOM 0 HA LYS A 25 6.436 -4.657 -4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.318 -5.056 -6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.786 -5.888 -6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.765 -3.133 -5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.994 -3.234 -7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.792 -4.904 -6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.533 -3.173 -6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.779 -3.118 -8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.562 -4.685 -8.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.357 -5.033 -9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.397 -5.614 -7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.701 -4.102 -8.073 1.00 0.00 H new ATOM 360 N ILE A 26 5.130 -7.611 -4.567 1.00 0.00 N ATOM 361 CA ILE A 26 3.931 -8.442 -4.218 1.00 0.00 C ATOM 362 C ILE A 26 4.319 -9.548 -3.231 1.00 0.00 C ATOM 363 O ILE A 26 5.269 -10.275 -3.449 1.00 0.00 O ATOM 364 CB ILE A 26 3.365 -9.069 -5.494 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.598 -7.986 -6.273 1.00 0.00 C ATOM 366 CG2 ILE A 26 2.411 -10.210 -5.113 1.00 0.00 C ATOM 367 CD1 ILE A 26 2.142 -8.531 -7.632 1.00 0.00 C ATOM 0 H ILE A 26 5.932 -8.131 -4.922 1.00 0.00 H new ATOM 0 HA ILE A 26 3.179 -7.805 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 26 4.170 -9.467 -6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.733 -7.657 -5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.235 -7.113 -6.418 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.004 -10.661 -6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.955 -10.964 -4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.596 -9.816 -4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.601 -7.754 -8.172 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.013 -8.837 -8.212 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.488 -9.389 -7.479 1.00 0.00 H new ATOM 379 N VAL A 27 3.568 -9.649 -2.165 1.00 0.00 N ATOM 380 CA VAL A 27 3.862 -10.697 -1.142 1.00 0.00 C ATOM 381 C VAL A 27 2.849 -11.872 -1.297 1.00 0.00 C ATOM 382 O VAL A 27 1.666 -11.632 -1.437 1.00 0.00 O ATOM 383 CB VAL A 27 3.699 -10.068 0.247 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.229 -9.714 0.468 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.141 -11.064 1.321 1.00 0.00 C ATOM 0 H VAL A 27 2.766 -9.053 -1.959 1.00 0.00 H new ATOM 0 HA VAL A 27 4.875 -11.078 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 27 4.313 -9.170 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.107 -9.266 1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.907 -9.005 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.623 -10.618 0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.023 -10.613 2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.528 -11.963 1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.187 -11.327 1.165 1.00 0.00 H new ATOM 395 N PRO A 28 3.318 -13.127 -1.270 1.00 0.00 N ATOM 396 CA PRO A 28 2.407 -14.275 -1.410 1.00 0.00 C ATOM 397 C PRO A 28 1.301 -14.228 -0.347 1.00 0.00 C ATOM 398 O PRO A 28 1.572 -14.241 0.838 1.00 0.00 O ATOM 399 CB PRO A 28 3.281 -15.518 -1.216 1.00 0.00 C ATOM 400 CG PRO A 28 4.748 -15.032 -1.021 1.00 0.00 C ATOM 401 CD PRO A 28 4.742 -13.496 -1.106 1.00 0.00 C ATOM 0 HA PRO A 28 1.910 -14.274 -2.380 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.948 -16.090 -0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.207 -16.178 -2.081 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.136 -15.361 -0.057 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.397 -15.456 -1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.164 -13.049 -0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.340 -13.145 -1.947 1.00 0.00 H new ATOM 409 N CYS A 29 0.076 -14.177 -0.796 1.00 0.00 N ATOM 410 CA CYS A 29 -1.061 -14.131 0.170 1.00 0.00 C ATOM 411 C CYS A 29 -2.285 -14.838 -0.421 1.00 0.00 C ATOM 412 O CYS A 29 -2.735 -14.507 -1.498 1.00 0.00 O ATOM 413 CB CYS A 29 -1.406 -12.673 0.467 1.00 0.00 C ATOM 414 SG CYS A 29 -0.552 -11.883 1.853 1.00 0.00 S ATOM 0 H CYS A 29 -0.186 -14.165 -1.782 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.772 -14.638 1.090 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.204 -12.089 -0.431 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.478 -12.611 0.652 1.00 0.00 H new ATOM 419 N THR A 30 -2.797 -15.798 0.300 1.00 0.00 N ATOM 420 CA THR A 30 -3.991 -16.537 -0.205 1.00 0.00 C ATOM 421 C THR A 30 -5.276 -15.909 0.345 1.00 0.00 C ATOM 422 O THR A 30 -6.344 -16.476 0.234 1.00 0.00 O ATOM 423 CB THR A 30 -3.902 -17.997 0.245 1.00 0.00 C ATOM 424 OG1 THR A 30 -3.557 -17.933 1.624 1.00 0.00 O ATOM 425 CG2 THR A 30 -2.740 -18.721 -0.431 1.00 0.00 C ATOM 0 H THR A 30 -2.445 -16.101 1.208 1.00 0.00 H new ATOM 0 HA THR A 30 -4.013 -16.483 -1.293 1.00 0.00 H new ATOM 0 HB THR A 30 -4.834 -18.514 0.016 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.483 -18.841 1.985 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.707 -19.755 -0.088 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.878 -18.701 -1.512 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.804 -18.224 -0.176 1.00 0.00 H new ATOM 433 N ARG A 31 -5.143 -14.747 0.926 1.00 0.00 N ATOM 434 CA ARG A 31 -6.347 -14.068 1.488 1.00 0.00 C ATOM 435 C ARG A 31 -7.287 -13.643 0.353 1.00 0.00 C ATOM 436 O ARG A 31 -7.363 -14.299 -0.667 1.00 0.00 O ATOM 437 CB ARG A 31 -5.905 -12.835 2.277 1.00 0.00 C ATOM 438 CG ARG A 31 -4.872 -13.256 3.326 1.00 0.00 C ATOM 439 CD ARG A 31 -5.404 -12.920 4.720 1.00 0.00 C ATOM 440 NE ARG A 31 -4.461 -13.455 5.742 1.00 0.00 N ATOM 441 CZ ARG A 31 -3.300 -12.881 5.904 1.00 0.00 C ATOM 442 NH1 ARG A 31 -3.013 -11.824 5.194 1.00 0.00 N ATOM 443 NH2 ARG A 31 -2.465 -13.382 6.774 1.00 0.00 N ATOM 0 H ARG A 31 -4.263 -14.243 1.035 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.876 -14.757 2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.477 -12.092 1.605 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.764 -12.370 2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.672 -14.325 3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.927 -12.741 3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.509 -11.841 4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.395 -13.353 4.859 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.720 -14.262 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.691 -11.459 4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.110 -11.363 5.308 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.725 -14.208 7.313 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.553 -12.947 6.915 1.00 0.00 H new ATOM 457 N GLU A 32 -7.984 -12.551 0.557 1.00 0.00 N ATOM 458 CA GLU A 32 -8.924 -12.066 -0.499 1.00 0.00 C ATOM 459 C GLU A 32 -8.756 -10.558 -0.697 1.00 0.00 C ATOM 460 O GLU A 32 -8.084 -10.121 -1.610 1.00 0.00 O ATOM 461 CB GLU A 32 -10.358 -12.365 -0.064 1.00 0.00 C ATOM 462 CG GLU A 32 -10.643 -13.855 -0.263 1.00 0.00 C ATOM 463 CD GLU A 32 -11.221 -14.078 -1.661 1.00 0.00 C ATOM 464 OE1 GLU A 32 -10.926 -13.249 -2.507 1.00 0.00 O ATOM 465 OE2 GLU A 32 -11.925 -15.063 -1.806 1.00 0.00 O ATOM 0 H GLU A 32 -7.943 -11.980 1.401 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.706 -12.573 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.498 -12.092 0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.060 -11.767 -0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.726 -14.432 -0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.345 -14.207 0.493 1.00 0.00 H new ATOM 472 N CYS A 33 -9.366 -9.797 0.167 1.00 0.00 N ATOM 473 CA CYS A 33 -9.264 -8.310 0.045 1.00 0.00 C ATOM 474 C CYS A 33 -9.847 -7.637 1.291 1.00 0.00 C ATOM 475 O CYS A 33 -10.948 -7.945 1.705 1.00 0.00 O ATOM 476 CB CYS A 33 -10.052 -7.849 -1.184 1.00 0.00 C ATOM 477 SG CYS A 33 -9.262 -8.015 -2.805 1.00 0.00 S ATOM 0 H CYS A 33 -9.928 -10.134 0.949 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.214 -8.034 -0.056 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.989 -8.406 -1.209 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.309 -6.799 -1.043 1.00 0.00 H new ATOM 482 N LYS A 34 -9.101 -6.733 1.864 1.00 0.00 N ATOM 483 CA LYS A 34 -9.615 -6.030 3.074 1.00 0.00 C ATOM 484 C LYS A 34 -10.781 -5.107 2.665 1.00 0.00 C ATOM 485 O LYS A 34 -10.882 -4.724 1.516 1.00 0.00 O ATOM 486 CB LYS A 34 -8.486 -5.192 3.677 1.00 0.00 C ATOM 487 CG LYS A 34 -7.850 -5.953 4.841 1.00 0.00 C ATOM 488 CD LYS A 34 -6.724 -5.108 5.435 1.00 0.00 C ATOM 489 CE LYS A 34 -7.072 -4.758 6.882 1.00 0.00 C ATOM 490 NZ LYS A 34 -7.109 -5.989 7.721 1.00 0.00 N ATOM 0 H LYS A 34 -8.171 -6.453 1.553 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.966 -6.755 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.735 -4.974 2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.875 -4.235 4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.599 -6.170 5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.460 -6.910 4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.782 -5.656 5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.588 -4.198 4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.336 -4.061 7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.039 -4.256 6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.856 -5.749 8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.066 -6.395 7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.430 -6.684 7.348 1.00 0.00 H new ATOM 504 N PRO A 35 -11.646 -4.761 3.607 1.00 0.00 N ATOM 505 CA PRO A 35 -12.780 -3.885 3.299 1.00 0.00 C ATOM 506 C PRO A 35 -12.276 -2.557 2.685 1.00 0.00 C ATOM 507 O PRO A 35 -11.121 -2.206 2.832 1.00 0.00 O ATOM 508 CB PRO A 35 -13.470 -3.627 4.645 1.00 0.00 C ATOM 509 CG PRO A 35 -12.677 -4.414 5.733 1.00 0.00 C ATOM 510 CD PRO A 35 -11.560 -5.194 5.014 1.00 0.00 C ATOM 0 HA PRO A 35 -13.461 -4.334 2.576 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.480 -2.561 4.873 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.509 -3.956 4.613 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.255 -3.731 6.470 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.336 -5.095 6.271 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.582 -4.967 5.439 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.706 -6.270 5.107 1.00 0.00 H new ATOM 518 N PRO A 36 -13.160 -1.841 2.009 1.00 0.00 N ATOM 519 CA PRO A 36 -12.796 -0.558 1.389 1.00 0.00 C ATOM 520 C PRO A 36 -12.220 0.408 2.431 1.00 0.00 C ATOM 521 O PRO A 36 -12.860 0.708 3.418 1.00 0.00 O ATOM 522 CB PRO A 36 -14.106 0.001 0.829 1.00 0.00 C ATOM 523 CG PRO A 36 -15.223 -1.045 1.111 1.00 0.00 C ATOM 524 CD PRO A 36 -14.566 -2.241 1.818 1.00 0.00 C ATOM 0 HA PRO A 36 -12.035 -0.687 0.620 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.347 0.955 1.299 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.017 0.186 -0.241 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.005 -0.612 1.735 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.696 -1.361 0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.050 -2.451 2.772 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.641 -3.146 1.216 1.00 0.00 H new ATOM 532 N ARG A 37 -11.024 0.880 2.186 1.00 0.00 N ATOM 533 CA ARG A 37 -10.403 1.829 3.162 1.00 0.00 C ATOM 534 C ARG A 37 -9.094 2.399 2.601 1.00 0.00 C ATOM 535 O ARG A 37 -8.548 1.883 1.650 1.00 0.00 O ATOM 536 CB ARG A 37 -10.110 1.083 4.466 1.00 0.00 C ATOM 537 CG ARG A 37 -9.491 2.053 5.477 1.00 0.00 C ATOM 538 CD ARG A 37 -9.754 1.541 6.896 1.00 0.00 C ATOM 539 NE ARG A 37 -9.184 2.509 7.874 1.00 0.00 N ATOM 540 CZ ARG A 37 -9.955 3.430 8.386 1.00 0.00 C ATOM 541 NH1 ARG A 37 -10.865 3.982 7.632 1.00 0.00 N ATOM 542 NH2 ARG A 37 -9.791 3.766 9.636 1.00 0.00 N ATOM 0 H ARG A 37 -10.458 0.655 1.368 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.094 2.652 3.344 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.029 0.657 4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.430 0.252 4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.419 2.142 5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.918 3.048 5.352 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.825 1.425 7.062 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.302 0.558 7.032 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.201 2.453 8.141 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.965 3.693 6.659 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.476 4.703 8.015 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.070 3.311 10.196 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.384 4.483 10.053 1.00 0.00 H new ATOM 556 N CYS A 38 -8.629 3.462 3.201 1.00 0.00 N ATOM 557 CA CYS A 38 -7.348 4.069 2.727 1.00 0.00 C ATOM 558 C CYS A 38 -6.174 3.148 3.076 1.00 0.00 C ATOM 559 O CYS A 38 -6.048 2.707 4.201 1.00 0.00 O ATOM 560 CB CYS A 38 -7.155 5.422 3.409 1.00 0.00 C ATOM 561 SG CYS A 38 -8.023 6.838 2.693 1.00 0.00 S ATOM 0 H CYS A 38 -9.073 3.933 3.989 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.387 4.201 1.646 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.468 5.324 4.449 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.089 5.648 3.417 1.00 0.00 H new ATOM 566 N GLU A 39 -5.334 2.878 2.108 1.00 0.00 N ATOM 567 CA GLU A 39 -4.175 1.971 2.389 1.00 0.00 C ATOM 568 C GLU A 39 -3.200 1.948 1.202 1.00 0.00 C ATOM 569 O GLU A 39 -3.483 2.485 0.151 1.00 0.00 O ATOM 570 CB GLU A 39 -4.704 0.554 2.639 1.00 0.00 C ATOM 571 CG GLU A 39 -3.544 -0.368 3.029 1.00 0.00 C ATOM 572 CD GLU A 39 -4.087 -1.547 3.838 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.519 -2.491 3.197 1.00 0.00 O ATOM 574 OE2 GLU A 39 -4.037 -1.437 5.052 1.00 0.00 O ATOM 0 H GLU A 39 -5.396 3.236 1.155 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.642 2.338 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.452 0.569 3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.197 0.176 1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.035 -0.729 2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.808 0.182 3.615 1.00 0.00 H new ATOM 581 N CYS A 40 -2.071 1.323 1.407 1.00 0.00 N ATOM 582 CA CYS A 40 -1.055 1.243 0.313 1.00 0.00 C ATOM 583 C CYS A 40 -1.647 0.545 -0.917 1.00 0.00 C ATOM 584 O CYS A 40 -2.672 -0.103 -0.831 1.00 0.00 O ATOM 585 CB CYS A 40 0.149 0.449 0.818 1.00 0.00 C ATOM 586 SG CYS A 40 1.793 1.021 0.324 1.00 0.00 S ATOM 0 H CYS A 40 -1.808 0.866 2.280 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.751 2.251 0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.111 0.436 1.907 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.037 -0.582 0.483 1.00 0.00 H new ATOM 591 N ILE A 41 -0.983 0.692 -2.038 1.00 0.00 N ATOM 592 CA ILE A 41 -1.488 0.049 -3.294 1.00 0.00 C ATOM 593 C ILE A 41 -0.327 -0.599 -4.065 1.00 0.00 C ATOM 594 O ILE A 41 0.500 0.084 -4.633 1.00 0.00 O ATOM 595 CB ILE A 41 -2.142 1.119 -4.174 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.209 1.863 -3.363 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.800 0.447 -5.380 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.604 3.155 -2.803 1.00 0.00 C ATOM 0 H ILE A 41 -0.119 1.225 -2.139 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.214 -0.721 -3.034 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.385 1.825 -4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.068 2.093 -3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.570 1.233 -2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.267 1.205 -6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.044 -0.087 -5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.558 -0.256 -5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.358 3.689 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.758 2.912 -2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.265 3.784 -3.626 1.00 0.00 H new ATOM 610 N ALA A 42 -0.295 -1.904 -4.074 1.00 0.00 N ATOM 611 CA ALA A 42 0.805 -2.603 -4.805 1.00 0.00 C ATOM 612 C ALA A 42 0.556 -2.549 -6.317 1.00 0.00 C ATOM 613 O ALA A 42 1.464 -2.330 -7.092 1.00 0.00 O ATOM 614 CB ALA A 42 0.863 -4.064 -4.354 1.00 0.00 C ATOM 0 H ALA A 42 -0.973 -2.512 -3.614 1.00 0.00 H new ATOM 0 HA ALA A 42 1.750 -2.107 -4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.664 -4.577 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.053 -4.106 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.087 -4.551 -4.573 1.00 0.00 H new ATOM 620 N SER A 43 -0.675 -2.746 -6.697 1.00 0.00 N ATOM 621 CA SER A 43 -1.010 -2.721 -8.151 1.00 0.00 C ATOM 622 C SER A 43 -0.560 -1.400 -8.780 1.00 0.00 C ATOM 623 O SER A 43 -0.634 -1.229 -9.982 1.00 0.00 O ATOM 624 CB SER A 43 -2.520 -2.875 -8.319 1.00 0.00 C ATOM 625 OG SER A 43 -2.713 -2.893 -9.726 1.00 0.00 O ATOM 0 H SER A 43 -1.460 -2.922 -6.070 1.00 0.00 H new ATOM 0 HA SER A 43 -0.493 -3.541 -8.650 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.881 -3.793 -7.856 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.059 -2.050 -7.853 1.00 0.00 H new ATOM 0 HG SER A 43 -1.970 -2.428 -10.164 1.00 0.00 H new ATOM 631 N ALA A 44 -0.101 -0.496 -7.953 1.00 0.00 N ATOM 632 CA ALA A 44 0.356 0.825 -8.486 1.00 0.00 C ATOM 633 C ALA A 44 1.885 0.890 -8.500 1.00 0.00 C ATOM 634 O ALA A 44 2.481 1.319 -9.470 1.00 0.00 O ATOM 635 CB ALA A 44 -0.190 1.935 -7.596 1.00 0.00 C ATOM 0 H ALA A 44 -0.023 -0.612 -6.943 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.011 0.948 -9.505 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.138 2.902 -7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.279 1.897 -7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.180 1.801 -6.579 1.00 0.00 H new ATOM 641 N GLY A 45 2.487 0.460 -7.420 1.00 0.00 N ATOM 642 CA GLY A 45 3.979 0.486 -7.342 1.00 0.00 C ATOM 643 C GLY A 45 4.440 1.052 -5.993 1.00 0.00 C ATOM 644 O GLY A 45 5.522 1.597 -5.886 1.00 0.00 O ATOM 0 H GLY A 45 2.013 0.094 -6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.373 -0.522 -7.473 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.380 1.093 -8.153 1.00 0.00 H new ATOM 648 N PHE A 46 3.613 0.912 -4.992 1.00 0.00 N ATOM 649 CA PHE A 46 4.003 1.434 -3.646 1.00 0.00 C ATOM 650 C PHE A 46 4.631 0.311 -2.809 1.00 0.00 C ATOM 651 O PHE A 46 4.140 -0.801 -2.798 1.00 0.00 O ATOM 652 CB PHE A 46 2.757 1.964 -2.931 1.00 0.00 C ATOM 653 CG PHE A 46 2.316 3.286 -3.573 1.00 0.00 C ATOM 654 CD1 PHE A 46 2.840 4.492 -3.137 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.387 3.290 -4.599 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.438 5.677 -3.719 1.00 0.00 C ATOM 657 CE2 PHE A 46 0.990 4.480 -5.177 1.00 0.00 C ATOM 658 CZ PHE A 46 1.514 5.669 -4.736 1.00 0.00 C ATOM 0 H PHE A 46 2.697 0.466 -5.043 1.00 0.00 H new ATOM 0 HA PHE A 46 4.730 2.237 -3.769 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.952 1.232 -2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.970 2.116 -1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.566 4.505 -2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.970 2.357 -4.950 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.851 6.613 -3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.265 4.475 -5.978 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.200 6.598 -5.188 1.00 0.00 H new ATOM 668 N VAL A 47 5.706 0.631 -2.122 1.00 0.00 N ATOM 669 CA VAL A 47 6.387 -0.405 -1.274 1.00 0.00 C ATOM 670 C VAL A 47 6.382 0.030 0.189 1.00 0.00 C ATOM 671 O VAL A 47 6.189 1.188 0.487 1.00 0.00 O ATOM 672 CB VAL A 47 7.831 -0.570 -1.741 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.859 -0.684 -3.259 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.646 0.649 -1.311 1.00 0.00 C ATOM 0 H VAL A 47 6.138 1.555 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 47 5.853 -1.350 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 47 8.258 -1.470 -1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.889 -0.802 -3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.274 -1.550 -3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.434 0.218 -3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.677 0.533 -1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.220 1.547 -1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.623 0.737 -0.225 1.00 0.00 H new ATOM 684 N ARG A 48 6.600 -0.914 1.068 1.00 0.00 N ATOM 685 CA ARG A 48 6.614 -0.576 2.523 1.00 0.00 C ATOM 686 C ARG A 48 8.042 -0.640 3.073 1.00 0.00 C ATOM 687 O ARG A 48 8.713 -1.645 2.952 1.00 0.00 O ATOM 688 CB ARG A 48 5.737 -1.574 3.273 1.00 0.00 C ATOM 689 CG ARG A 48 4.302 -1.043 3.320 1.00 0.00 C ATOM 690 CD ARG A 48 3.376 -2.145 3.835 1.00 0.00 C ATOM 691 NE ARG A 48 2.520 -1.589 4.919 1.00 0.00 N ATOM 692 CZ ARG A 48 1.386 -2.170 5.203 1.00 0.00 C ATOM 693 NH1 ARG A 48 1.396 -3.420 5.579 1.00 0.00 N ATOM 694 NH2 ARG A 48 0.282 -1.482 5.100 1.00 0.00 N ATOM 0 H ARG A 48 6.767 -1.895 0.845 1.00 0.00 H new ATOM 0 HA ARG A 48 6.232 0.436 2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.763 -2.544 2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.116 -1.723 4.284 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.245 -0.170 3.970 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.988 -0.721 2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.756 -2.526 3.023 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.961 -2.984 4.210 1.00 0.00 H new ATOM 0 HE ARG A 48 2.817 -0.761 5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.280 -3.925 5.647 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.520 -3.892 5.805 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.315 -0.507 4.802 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.614 -1.919 5.318 1.00 0.00 H new ATOM 708 N ASP A 49 8.477 0.440 3.667 1.00 0.00 N ATOM 709 CA ASP A 49 9.854 0.456 4.236 1.00 0.00 C ATOM 710 C ASP A 49 9.896 -0.402 5.500 1.00 0.00 C ATOM 711 O ASP A 49 8.891 -0.582 6.158 1.00 0.00 O ATOM 712 CB ASP A 49 10.244 1.887 4.584 1.00 0.00 C ATOM 713 CG ASP A 49 11.768 1.993 4.648 1.00 0.00 C ATOM 714 OD1 ASP A 49 12.295 1.584 5.669 1.00 0.00 O ATOM 715 OD2 ASP A 49 12.318 2.478 3.671 1.00 0.00 O ATOM 0 H ASP A 49 7.944 1.302 3.782 1.00 0.00 H new ATOM 0 HA ASP A 49 10.553 0.056 3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.851 2.576 3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.807 2.173 5.541 1.00 0.00 H new ATOM 720 N ALA A 50 11.063 -0.902 5.815 1.00 0.00 N ATOM 721 CA ALA A 50 11.194 -1.761 7.026 1.00 0.00 C ATOM 722 C ALA A 50 10.474 -1.120 8.211 1.00 0.00 C ATOM 723 O ALA A 50 10.041 -1.799 9.120 1.00 0.00 O ATOM 724 CB ALA A 50 12.676 -1.927 7.360 1.00 0.00 C ATOM 0 H ALA A 50 11.924 -0.753 5.289 1.00 0.00 H new ATOM 0 HA ALA A 50 10.744 -2.734 6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.781 -2.554 8.245 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.188 -2.396 6.520 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.117 -0.949 7.554 1.00 0.00 H new ATOM 730 N GLN A 51 10.360 0.175 8.174 1.00 0.00 N ATOM 731 CA GLN A 51 9.668 0.878 9.293 1.00 0.00 C ATOM 732 C GLN A 51 8.154 0.783 9.107 1.00 0.00 C ATOM 733 O GLN A 51 7.402 1.524 9.706 1.00 0.00 O ATOM 734 CB GLN A 51 10.091 2.347 9.300 1.00 0.00 C ATOM 735 CG GLN A 51 11.451 2.475 9.988 1.00 0.00 C ATOM 736 CD GLN A 51 11.243 2.708 11.485 1.00 0.00 C ATOM 737 OE1 GLN A 51 11.516 1.850 12.302 1.00 0.00 O ATOM 738 NE2 GLN A 51 10.760 3.852 11.888 1.00 0.00 N ATOM 0 H GLN A 51 10.711 0.775 7.427 1.00 0.00 H new ATOM 0 HA GLN A 51 9.941 0.411 10.240 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.149 2.726 8.280 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.348 2.949 9.822 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.039 1.571 9.828 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.014 3.302 9.555 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.529 4.576 11.208 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.614 4.022 12.883 1.00 0.00 H new ATOM 747 N GLY A 52 7.740 -0.143 8.288 1.00 0.00 N ATOM 748 CA GLY A 52 6.284 -0.297 8.034 1.00 0.00 C ATOM 749 C GLY A 52 5.710 1.004 7.468 1.00 0.00 C ATOM 750 O GLY A 52 4.598 1.379 7.783 1.00 0.00 O ATOM 0 H GLY A 52 8.344 -0.795 7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.113 -1.114 7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.771 -0.558 8.960 1.00 0.00 H new ATOM 754 N ASN A 53 6.488 1.662 6.638 1.00 0.00 N ATOM 755 CA ASN A 53 6.005 2.955 6.040 1.00 0.00 C ATOM 756 C ASN A 53 5.702 2.784 4.548 1.00 0.00 C ATOM 757 O ASN A 53 6.572 2.453 3.770 1.00 0.00 O ATOM 758 CB ASN A 53 7.086 4.023 6.209 1.00 0.00 C ATOM 759 CG ASN A 53 7.103 4.506 7.659 1.00 0.00 C ATOM 760 OD1 ASN A 53 6.994 3.633 8.614 1.00 0.00 O flip ATOM 761 ND2 ASN A 53 7.214 5.685 7.930 1.00 0.00 N flip ATOM 0 H ASN A 53 7.422 1.368 6.351 1.00 0.00 H new ATOM 0 HA ASN A 53 5.091 3.255 6.553 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.060 3.616 5.939 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.893 4.860 5.538 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.300 6.374 7.183 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.221 5.986 8.905 1.00 0.00 H new ATOM 768 N CYS A 54 4.471 3.021 4.181 1.00 0.00 N ATOM 769 CA CYS A 54 4.096 2.882 2.741 1.00 0.00 C ATOM 770 C CYS A 54 4.630 4.078 1.945 1.00 0.00 C ATOM 771 O CYS A 54 4.254 5.207 2.188 1.00 0.00 O ATOM 772 CB CYS A 54 2.572 2.826 2.625 1.00 0.00 C ATOM 773 SG CYS A 54 1.862 2.933 0.965 1.00 0.00 S ATOM 0 H CYS A 54 3.716 3.302 4.806 1.00 0.00 H new ATOM 0 HA CYS A 54 4.530 1.967 2.338 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.233 1.894 3.077 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.158 3.639 3.222 1.00 0.00 H new ATOM 778 N ILE A 55 5.496 3.802 1.007 1.00 0.00 N ATOM 779 CA ILE A 55 6.073 4.911 0.192 1.00 0.00 C ATOM 780 C ILE A 55 6.309 4.455 -1.251 1.00 0.00 C ATOM 781 O ILE A 55 6.467 3.281 -1.516 1.00 0.00 O ATOM 782 CB ILE A 55 7.406 5.333 0.810 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.344 4.121 0.843 1.00 0.00 C ATOM 784 CG2 ILE A 55 7.166 5.829 2.235 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.612 4.480 1.622 1.00 0.00 C ATOM 0 H ILE A 55 5.827 2.866 0.771 1.00 0.00 H new ATOM 0 HA ILE A 55 5.374 5.747 0.183 1.00 0.00 H new ATOM 0 HB ILE A 55 7.855 6.131 0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.844 3.273 1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.601 3.819 -0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.114 6.131 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.487 6.682 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.725 5.029 2.829 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.280 3.619 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.114 5.315 1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.346 4.761 2.641 1.00 0.00 H new ATOM 797 N LYS A 56 6.324 5.400 -2.152 1.00 0.00 N ATOM 798 CA LYS A 56 6.559 5.047 -3.584 1.00 0.00 C ATOM 799 C LYS A 56 7.790 4.142 -3.707 1.00 0.00 C ATOM 800 O LYS A 56 8.635 4.118 -2.835 1.00 0.00 O ATOM 801 CB LYS A 56 6.801 6.327 -4.382 1.00 0.00 C ATOM 802 CG LYS A 56 6.048 7.482 -3.722 1.00 0.00 C ATOM 803 CD LYS A 56 5.791 8.574 -4.764 1.00 0.00 C ATOM 804 CE LYS A 56 7.127 9.017 -5.364 1.00 0.00 C ATOM 805 NZ LYS A 56 7.066 10.447 -5.777 1.00 0.00 N ATOM 0 H LYS A 56 6.185 6.393 -1.962 1.00 0.00 H new ATOM 0 HA LYS A 56 5.686 4.522 -3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.868 6.548 -4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.463 6.198 -5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.104 7.128 -3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.629 7.884 -2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.133 8.199 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.286 9.423 -4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.924 8.877 -4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.370 8.394 -6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.981 10.731 -6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.319 10.571 -6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.856 11.039 -4.948 1.00 0.00 H new ATOM 819 N PHE A 57 7.867 3.417 -4.790 1.00 0.00 N ATOM 820 CA PHE A 57 9.042 2.515 -4.983 1.00 0.00 C ATOM 821 C PHE A 57 10.322 3.343 -5.137 1.00 0.00 C ATOM 822 O PHE A 57 11.366 2.975 -4.635 1.00 0.00 O ATOM 823 CB PHE A 57 8.828 1.676 -6.242 1.00 0.00 C ATOM 824 CG PHE A 57 9.240 0.232 -5.962 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.522 -0.060 -5.527 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.338 -0.804 -6.138 1.00 0.00 C ATOM 827 CE1 PHE A 57 10.893 -1.363 -5.274 1.00 0.00 C ATOM 828 CE2 PHE A 57 8.715 -2.107 -5.885 1.00 0.00 C ATOM 829 CZ PHE A 57 9.991 -2.385 -5.453 1.00 0.00 C ATOM 0 H PHE A 57 7.178 3.408 -5.542 1.00 0.00 H new ATOM 0 HA PHE A 57 9.142 1.865 -4.114 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.782 1.715 -6.546 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.415 2.080 -7.067 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.235 0.738 -5.385 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.334 -0.591 -6.475 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.895 -1.582 -4.934 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.007 -2.910 -6.026 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.284 -3.405 -5.255 1.00 0.00 H new ATOM 839 N GLU A 58 10.214 4.443 -5.831 1.00 0.00 N ATOM 840 CA GLU A 58 11.415 5.306 -6.031 1.00 0.00 C ATOM 841 C GLU A 58 11.926 5.828 -4.684 1.00 0.00 C ATOM 842 O GLU A 58 13.110 6.033 -4.505 1.00 0.00 O ATOM 843 CB GLU A 58 11.040 6.487 -6.925 1.00 0.00 C ATOM 844 CG GLU A 58 10.130 5.992 -8.052 1.00 0.00 C ATOM 845 CD GLU A 58 10.431 6.782 -9.328 1.00 0.00 C ATOM 846 OE1 GLU A 58 11.506 6.563 -9.859 1.00 0.00 O ATOM 847 OE2 GLU A 58 9.568 7.562 -9.698 1.00 0.00 O ATOM 0 H GLU A 58 9.355 4.780 -6.265 1.00 0.00 H new ATOM 0 HA GLU A 58 12.203 4.718 -6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.532 7.254 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.938 6.945 -7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.290 4.927 -8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.084 6.116 -7.772 1.00 0.00 H new ATOM 854 N ASP A 59 11.022 6.031 -3.765 1.00 0.00 N ATOM 855 CA ASP A 59 11.443 6.539 -2.427 1.00 0.00 C ATOM 856 C ASP A 59 12.198 5.448 -1.668 1.00 0.00 C ATOM 857 O ASP A 59 12.494 5.590 -0.499 1.00 0.00 O ATOM 858 CB ASP A 59 10.203 6.950 -1.634 1.00 0.00 C ATOM 859 CG ASP A 59 9.895 8.424 -1.907 1.00 0.00 C ATOM 860 OD1 ASP A 59 10.789 9.216 -1.664 1.00 0.00 O ATOM 861 OD2 ASP A 59 8.783 8.673 -2.342 1.00 0.00 O ATOM 0 H ASP A 59 10.021 5.870 -3.879 1.00 0.00 H new ATOM 0 HA ASP A 59 12.100 7.399 -2.557 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.353 6.330 -1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.370 6.793 -0.568 1.00 0.00 H new ATOM 866 N CYS A 60 12.491 4.379 -2.353 1.00 0.00 N ATOM 867 CA CYS A 60 13.227 3.261 -1.695 1.00 0.00 C ATOM 868 C CYS A 60 14.560 3.784 -1.104 1.00 0.00 C ATOM 869 O CYS A 60 15.069 4.797 -1.541 1.00 0.00 O ATOM 870 CB CYS A 60 13.519 2.189 -2.745 1.00 0.00 C ATOM 871 SG CYS A 60 12.343 0.822 -2.886 1.00 0.00 S ATOM 0 H CYS A 60 12.255 4.230 -3.334 1.00 0.00 H new ATOM 0 HA CYS A 60 12.624 2.844 -0.888 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.585 2.678 -3.717 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.502 1.768 -2.532 1.00 0.00 H new ATOM 876 N PRO A 61 15.102 3.081 -0.114 1.00 0.00 N ATOM 877 CA PRO A 61 16.372 3.489 0.505 1.00 0.00 C ATOM 878 C PRO A 61 17.476 3.613 -0.553 1.00 0.00 C ATOM 879 O PRO A 61 17.288 3.248 -1.698 1.00 0.00 O ATOM 880 CB PRO A 61 16.712 2.377 1.504 1.00 0.00 C ATOM 881 CG PRO A 61 15.565 1.323 1.438 1.00 0.00 C ATOM 882 CD PRO A 61 14.508 1.853 0.452 1.00 0.00 C ATOM 0 HA PRO A 61 16.290 4.462 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.669 1.918 1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.804 2.782 2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 61 15.949 0.358 1.107 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.127 1.170 2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 61 14.293 1.122 -0.328 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.566 2.066 0.958 1.00 0.00 H new ATOM 890 N LYS A 62 18.606 4.126 -0.146 1.00 0.00 N ATOM 891 CA LYS A 62 19.733 4.280 -1.114 1.00 0.00 C ATOM 892 C LYS A 62 21.050 4.494 -0.365 1.00 0.00 C ATOM 893 O LYS A 62 21.014 4.356 0.846 1.00 0.00 O ATOM 894 CB LYS A 62 19.460 5.481 -2.028 1.00 0.00 C ATOM 895 CG LYS A 62 18.712 6.571 -1.247 1.00 0.00 C ATOM 896 CD LYS A 62 19.524 6.960 -0.009 1.00 0.00 C ATOM 897 CE LYS A 62 19.006 8.295 0.529 1.00 0.00 C ATOM 898 NZ LYS A 62 19.887 9.414 0.088 1.00 0.00 N ATOM 899 OXT LYS A 62 22.020 4.786 -1.047 1.00 0.00 O ATOM 0 H LYS A 62 18.798 4.443 0.804 1.00 0.00 H new ATOM 0 HA LYS A 62 19.812 3.373 -1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 62 20.400 5.877 -2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 62 18.869 5.167 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 62 18.554 7.444 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.727 6.210 -0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 62 19.438 6.188 0.755 1.00 0.00 H new ATOM 0 HD3 LYS A 62 20.581 7.041 -0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.989 8.465 0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.966 8.264 1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.521 10.313 0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.851 9.258 0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.905 9.453 -0.951 1.00 0.00 H new TER 913 LYS A 62