USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 THR OG1 : rot 180:sc= 1.09 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot -6:sc= 0.246 USER MOD Single : A 14 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.0051) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.251 F(o=-2.8!,f=-0.25) USER MOD Single : A 26 MET CE :methyl -132:sc= 0 (180deg=-0.0534) USER MOD Single : A 27 HIS :FLIP no HD1:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 28 CYS SG : rot -17:sc= -0.243 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 35 LYS NZ :NH3+ -149:sc= 1.07 (180deg=0.971) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 46 MET CE :methyl -162:sc= 0 (180deg=-0.665) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.974 USER MOD Single : A 66 ASN : amide:sc= -3.66 K(o=-3.7,f=-5!) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.315 K(o=-0.31,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 -8.141 1.432 -10.559 1.00 0.00 N ATOM 67 CA MET A 8 -7.289 1.111 -9.420 1.00 0.00 C ATOM 68 C MET A 8 -8.127 0.840 -8.174 1.00 0.00 C ATOM 69 O MET A 8 -8.253 -0.304 -7.737 1.00 0.00 O ATOM 70 CB MET A 8 -6.309 2.254 -9.151 1.00 0.00 C ATOM 71 CG MET A 8 -4.967 2.080 -9.843 1.00 0.00 C ATOM 72 SD MET A 8 -4.180 3.653 -10.240 1.00 0.00 S ATOM 73 CE MET A 8 -3.090 3.851 -8.833 1.00 0.00 C ATOM 0 HA MET A 8 -6.726 0.209 -9.661 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.758 3.191 -9.478 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.146 2.337 -8.076 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.305 1.499 -9.202 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.107 1.507 -10.760 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.532 4.782 -8.933 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.680 3.878 -7.917 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.393 3.014 -8.792 1.00 0.00 H new ATOM 83 N ILE A 9 -8.696 1.899 -7.608 1.00 0.00 N ATOM 84 CA ILE A 9 -9.522 1.774 -6.413 1.00 0.00 C ATOM 85 C ILE A 9 -10.562 0.671 -6.577 1.00 0.00 C ATOM 86 O ILE A 9 -10.802 -0.111 -5.658 1.00 0.00 O ATOM 87 CB ILE A 9 -10.240 3.096 -6.084 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.219 4.195 -5.784 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.184 2.907 -4.907 1.00 0.00 C ATOM 90 CD1 ILE A 9 -8.758 4.944 -7.015 1.00 0.00 C ATOM 0 H ILE A 9 -8.600 2.853 -7.957 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.852 1.520 -5.592 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.828 3.399 -6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.656 4.903 -5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.353 3.751 -5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.684 3.850 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.929 2.151 -5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.617 2.584 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.036 5.708 -6.727 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.291 4.247 -7.711 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.615 5.417 -7.495 1.00 0.00 H new ATOM 102 N ALA A 10 -11.175 0.613 -7.754 1.00 0.00 N ATOM 103 CA ALA A 10 -12.187 -0.397 -8.040 1.00 0.00 C ATOM 104 C ALA A 10 -11.582 -1.796 -8.034 1.00 0.00 C ATOM 105 O ALA A 10 -11.994 -2.657 -7.256 1.00 0.00 O ATOM 106 CB ALA A 10 -12.852 -0.113 -9.379 1.00 0.00 C ATOM 0 H ALA A 10 -10.989 1.254 -8.526 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.942 -0.353 -7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.605 -0.875 -9.580 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.327 0.868 -9.349 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.101 -0.128 -10.169 1.00 0.00 H new ATOM 112 N ALA A 11 -10.605 -2.018 -8.907 1.00 0.00 N ATOM 113 CA ALA A 11 -9.943 -3.313 -9.000 1.00 0.00 C ATOM 114 C ALA A 11 -9.446 -3.776 -7.634 1.00 0.00 C ATOM 115 O ALA A 11 -9.775 -4.873 -7.183 1.00 0.00 O ATOM 116 CB ALA A 11 -8.788 -3.245 -9.989 1.00 0.00 C ATOM 0 H ALA A 11 -10.254 -1.317 -9.560 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.671 -4.041 -9.358 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.302 -4.219 -10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.167 -2.968 -10.973 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.066 -2.500 -9.655 1.00 0.00 H new ATOM 122 N TYR A 12 -8.653 -2.933 -6.982 1.00 0.00 N ATOM 123 CA TYR A 12 -8.108 -3.258 -5.669 1.00 0.00 C ATOM 124 C TYR A 12 -9.226 -3.566 -4.677 1.00 0.00 C ATOM 125 O TYR A 12 -9.249 -4.633 -4.065 1.00 0.00 O ATOM 126 CB TYR A 12 -7.253 -2.101 -5.149 1.00 0.00 C ATOM 127 CG TYR A 12 -5.908 -1.988 -5.830 1.00 0.00 C ATOM 128 CD1 TYR A 12 -5.002 -3.041 -5.803 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.544 -0.828 -6.503 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.772 -2.942 -6.424 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.316 -0.720 -7.128 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.434 -1.779 -7.085 1.00 0.00 C ATOM 133 OH TYR A 12 -2.210 -1.677 -7.706 1.00 0.00 O ATOM 0 H TYR A 12 -8.373 -2.020 -7.341 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.483 -4.145 -5.771 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.799 -1.167 -5.285 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.099 -2.227 -4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.264 -3.953 -5.287 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.232 0.003 -6.538 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.079 -3.770 -6.392 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.049 0.189 -7.647 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.673 -2.471 -7.502 1.00 0.00 H new ATOM 143 N GLU A 13 -10.150 -2.622 -4.525 1.00 0.00 N ATOM 144 CA GLU A 13 -11.270 -2.792 -3.607 1.00 0.00 C ATOM 145 C GLU A 13 -11.920 -4.161 -3.789 1.00 0.00 C ATOM 146 O GLU A 13 -11.941 -4.977 -2.869 1.00 0.00 O ATOM 147 CB GLU A 13 -12.308 -1.690 -3.826 1.00 0.00 C ATOM 148 CG GLU A 13 -12.001 -0.407 -3.072 1.00 0.00 C ATOM 149 CD GLU A 13 -11.793 -0.637 -1.588 1.00 0.00 C ATOM 150 OE1 GLU A 13 -10.645 -0.924 -1.187 1.00 0.00 O ATOM 151 OE2 GLU A 13 -12.777 -0.531 -0.827 1.00 0.00 O ATOM 0 H GLU A 13 -10.145 -1.733 -5.025 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.886 -2.724 -2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.372 -1.469 -4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.287 -2.058 -3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.107 0.052 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.819 0.299 -3.215 1.00 0.00 H new ATOM 158 N ASN A 14 -12.449 -4.404 -4.984 1.00 0.00 N ATOM 159 CA ASN A 14 -13.100 -5.673 -5.287 1.00 0.00 C ATOM 160 C ASN A 14 -12.193 -6.848 -4.937 1.00 0.00 C ATOM 161 O ASN A 14 -12.622 -7.809 -4.298 1.00 0.00 O ATOM 162 CB ASN A 14 -13.483 -5.733 -6.767 1.00 0.00 C ATOM 163 CG ASN A 14 -14.366 -6.923 -7.089 1.00 0.00 C ATOM 164 OD1 ASN A 14 -15.588 -6.801 -7.167 1.00 0.00 O ATOM 165 ND2 ASN A 14 -13.749 -8.084 -7.277 1.00 0.00 N ATOM 0 H ASN A 14 -12.440 -3.739 -5.758 1.00 0.00 H new ATOM 0 HA ASN A 14 -14.004 -5.742 -4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -14.001 -4.815 -7.043 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.578 -5.782 -7.372 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.291 -8.920 -7.496 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.733 -8.140 -7.203 1.00 0.00 H new ATOM 172 N SER A 15 -10.935 -6.764 -5.359 1.00 0.00 N ATOM 173 CA SER A 15 -9.967 -7.821 -5.092 1.00 0.00 C ATOM 174 C SER A 15 -9.726 -7.972 -3.593 1.00 0.00 C ATOM 175 O SER A 15 -9.704 -6.989 -2.853 1.00 0.00 O ATOM 176 CB SER A 15 -8.646 -7.523 -5.805 1.00 0.00 C ATOM 177 OG SER A 15 -8.636 -8.072 -7.111 1.00 0.00 O ATOM 0 H SER A 15 -10.563 -5.975 -5.887 1.00 0.00 H new ATOM 0 HA SER A 15 -10.375 -8.758 -5.473 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.494 -6.445 -5.859 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.817 -7.934 -5.228 1.00 0.00 H new ATOM 0 HG SER A 15 -7.782 -7.866 -7.546 1.00 0.00 H new ATOM 183 N LYS A 16 -9.546 -9.213 -3.152 1.00 0.00 N ATOM 184 CA LYS A 16 -9.306 -9.496 -1.742 1.00 0.00 C ATOM 185 C LYS A 16 -7.812 -9.494 -1.434 1.00 0.00 C ATOM 186 O LYS A 16 -6.984 -9.675 -2.327 1.00 0.00 O ATOM 187 CB LYS A 16 -9.914 -10.848 -1.362 1.00 0.00 C ATOM 188 CG LYS A 16 -9.104 -12.038 -1.849 1.00 0.00 C ATOM 189 CD LYS A 16 -9.428 -13.294 -1.058 1.00 0.00 C ATOM 190 CE LYS A 16 -10.741 -13.914 -1.510 1.00 0.00 C ATOM 191 NZ LYS A 16 -11.175 -15.015 -0.606 1.00 0.00 N ATOM 0 H LYS A 16 -9.562 -10.038 -3.751 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.782 -8.712 -1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.008 -10.903 -0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.921 -10.912 -1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.308 -12.210 -2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.040 -11.816 -1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.622 -14.018 -1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.485 -13.052 0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.513 -13.145 -1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.631 -14.299 -2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.074 -15.411 -0.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.450 -15.761 -0.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.305 -14.643 0.356 1.00 0.00 H new ATOM 205 N TRP A 17 -7.475 -9.288 -0.166 1.00 0.00 N ATOM 206 CA TRP A 17 -6.080 -9.264 0.260 1.00 0.00 C ATOM 207 C TRP A 17 -5.318 -10.459 -0.303 1.00 0.00 C ATOM 208 O TRP A 17 -5.918 -11.396 -0.828 1.00 0.00 O ATOM 209 CB TRP A 17 -5.991 -9.260 1.787 1.00 0.00 C ATOM 210 CG TRP A 17 -4.584 -9.300 2.300 1.00 0.00 C ATOM 211 CD1 TRP A 17 -3.724 -8.246 2.416 1.00 0.00 C ATOM 212 CD2 TRP A 17 -3.874 -10.453 2.765 1.00 0.00 C ATOM 213 NE1 TRP A 17 -2.521 -8.674 2.925 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.588 -10.024 3.148 1.00 0.00 C ATOM 215 CE3 TRP A 17 -4.199 -11.806 2.897 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.630 -10.900 3.652 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -3.248 -12.674 3.397 1.00 0.00 C ATOM 218 CH2 TRP A 17 -1.976 -12.219 3.770 1.00 0.00 C ATOM 0 H TRP A 17 -8.148 -9.135 0.585 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.624 -8.352 -0.126 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.485 -8.367 2.170 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.537 -10.119 2.178 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.955 -7.226 2.147 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.710 -8.083 3.107 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -5.177 -12.166 2.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.649 -10.551 3.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.489 -13.722 3.502 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.255 -12.923 4.158 1.00 0.00 H new ATOM 229 N GLU A 18 -3.994 -10.418 -0.189 1.00 0.00 N ATOM 230 CA GLU A 18 -3.152 -11.499 -0.688 1.00 0.00 C ATOM 231 C GLU A 18 -1.808 -11.519 0.035 1.00 0.00 C ATOM 232 O GLU A 18 -1.179 -10.485 0.258 1.00 0.00 O ATOM 233 CB GLU A 18 -2.931 -11.348 -2.195 1.00 0.00 C ATOM 234 CG GLU A 18 -2.114 -12.475 -2.805 1.00 0.00 C ATOM 235 CD GLU A 18 -2.972 -13.644 -3.248 1.00 0.00 C ATOM 236 OE1 GLU A 18 -3.997 -13.405 -3.921 1.00 0.00 O ATOM 237 OE2 GLU A 18 -2.621 -14.797 -2.921 1.00 0.00 O ATOM 0 H GLU A 18 -3.482 -9.649 0.244 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.663 -12.443 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.899 -11.301 -2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.428 -10.400 -2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.557 -12.093 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.381 -12.823 -2.077 1.00 0.00 H new ATOM 244 N PRO A 19 -1.358 -12.725 0.412 1.00 0.00 N ATOM 245 CA PRO A 19 -0.086 -12.911 1.116 1.00 0.00 C ATOM 246 C PRO A 19 1.117 -12.633 0.221 1.00 0.00 C ATOM 247 O PRO A 19 1.508 -13.473 -0.590 1.00 0.00 O ATOM 248 CB PRO A 19 -0.119 -14.385 1.525 1.00 0.00 C ATOM 249 CG PRO A 19 -1.023 -15.034 0.534 1.00 0.00 C ATOM 250 CD PRO A 19 -2.057 -14.001 0.180 1.00 0.00 C ATOM 0 HA PRO A 19 0.020 -12.224 1.956 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.878 -14.825 1.499 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.494 -14.505 2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.470 -15.352 -0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.489 -15.925 0.955 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.384 -14.098 -0.855 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.946 -14.092 0.804 1.00 0.00 H new ATOM 258 N VAL A 20 1.702 -11.449 0.374 1.00 0.00 N ATOM 259 CA VAL A 20 2.862 -11.061 -0.419 1.00 0.00 C ATOM 260 C VAL A 20 3.956 -10.468 0.461 1.00 0.00 C ATOM 261 O VAL A 20 3.737 -9.481 1.164 1.00 0.00 O ATOM 262 CB VAL A 20 2.482 -10.038 -1.506 1.00 0.00 C ATOM 263 CG1 VAL A 20 1.569 -8.964 -0.933 1.00 0.00 C ATOM 264 CG2 VAL A 20 3.731 -9.418 -2.114 1.00 0.00 C ATOM 0 H VAL A 20 1.391 -10.742 1.040 1.00 0.00 H new ATOM 0 HA VAL A 20 3.236 -11.966 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 20 1.941 -10.558 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.311 -8.250 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.659 -9.426 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.082 -8.445 -0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.444 -8.698 -2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.302 -8.912 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.344 -10.200 -2.563 1.00 0.00 H new ATOM 274 N LYS A 21 5.137 -11.076 0.418 1.00 0.00 N ATOM 275 CA LYS A 21 6.268 -10.608 1.210 1.00 0.00 C ATOM 276 C LYS A 21 6.762 -9.255 0.708 1.00 0.00 C ATOM 277 O LYS A 21 7.383 -9.164 -0.351 1.00 0.00 O ATOM 278 CB LYS A 21 7.408 -11.629 1.161 1.00 0.00 C ATOM 279 CG LYS A 21 8.527 -11.338 2.146 1.00 0.00 C ATOM 280 CD LYS A 21 9.532 -12.476 2.199 1.00 0.00 C ATOM 281 CE LYS A 21 10.918 -11.978 2.581 1.00 0.00 C ATOM 282 NZ LYS A 21 11.989 -12.890 2.093 1.00 0.00 N ATOM 0 H LYS A 21 5.335 -11.894 -0.157 1.00 0.00 H new ATOM 0 HA LYS A 21 5.934 -10.493 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.005 -12.621 1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.820 -11.653 0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.034 -10.416 1.860 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.107 -11.176 3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.201 -13.222 2.921 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.576 -12.969 1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.073 -10.982 2.167 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.985 -11.886 3.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.918 -12.516 2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.856 -13.834 2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.942 -12.958 1.056 1.00 0.00 H new ATOM 296 N TRP A 22 6.482 -8.207 1.475 1.00 0.00 N ATOM 297 CA TRP A 22 6.899 -6.859 1.107 1.00 0.00 C ATOM 298 C TRP A 22 8.409 -6.699 1.246 1.00 0.00 C ATOM 299 O TRP A 22 8.943 -6.703 2.355 1.00 0.00 O ATOM 300 CB TRP A 22 6.182 -5.826 1.979 1.00 0.00 C ATOM 301 CG TRP A 22 4.713 -5.730 1.699 1.00 0.00 C ATOM 302 CD1 TRP A 22 3.694 -5.974 2.574 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.099 -5.365 0.458 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.484 -5.783 1.953 1.00 0.00 N ATOM 305 CE2 TRP A 22 2.705 -5.408 0.654 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.592 -5.004 -0.799 1.00 0.00 C ATOM 307 CZ2 TRP A 22 1.801 -5.105 -0.361 1.00 0.00 C ATOM 308 CZ3 TRP A 22 3.693 -4.704 -1.805 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.311 -4.755 -1.581 1.00 0.00 C ATOM 0 H TRP A 22 5.969 -8.265 2.354 1.00 0.00 H new ATOM 0 HA TRP A 22 6.630 -6.694 0.064 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.329 -6.082 3.028 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.639 -4.849 1.823 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.821 -6.273 3.604 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.569 -5.901 2.388 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.656 -4.960 -0.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.735 -5.145 -0.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.062 -4.425 -2.781 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.635 -4.513 -2.388 1.00 0.00 H new ATOM 320 N GLU A 23 9.092 -6.559 0.115 1.00 0.00 N ATOM 321 CA GLU A 23 10.541 -6.398 0.113 1.00 0.00 C ATOM 322 C GLU A 23 10.926 -4.923 0.183 1.00 0.00 C ATOM 323 O GLU A 23 10.155 -4.050 -0.213 1.00 0.00 O ATOM 324 CB GLU A 23 11.145 -7.035 -1.141 1.00 0.00 C ATOM 325 CG GLU A 23 11.062 -8.552 -1.155 1.00 0.00 C ATOM 326 CD GLU A 23 12.175 -9.190 -1.961 1.00 0.00 C ATOM 327 OE1 GLU A 23 13.348 -9.079 -1.547 1.00 0.00 O ATOM 328 OE2 GLU A 23 11.873 -9.802 -3.008 1.00 0.00 O ATOM 0 H GLU A 23 8.666 -6.554 -0.812 1.00 0.00 H new ATOM 0 HA GLU A 23 10.938 -6.901 0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.632 -6.644 -2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.190 -6.736 -1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.101 -8.924 -0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.100 -8.856 -1.568 1.00 0.00 H new ATOM 335 N ASN A 24 12.124 -4.654 0.692 1.00 0.00 N ATOM 336 CA ASN A 24 12.611 -3.285 0.816 1.00 0.00 C ATOM 337 C ASN A 24 12.650 -2.596 -0.545 1.00 0.00 C ATOM 338 O ASN A 24 12.727 -3.253 -1.583 1.00 0.00 O ATOM 339 CB ASN A 24 14.005 -3.272 1.447 1.00 0.00 C ATOM 340 CG ASN A 24 14.268 -2.009 2.242 1.00 0.00 C ATOM 341 OD1 ASN A 24 14.401 -0.887 1.544 1.00 0.00 O flip ATOM 342 ND2 ASN A 24 14.351 -2.041 3.470 1.00 0.00 N flip ATOM 0 H ASN A 24 12.775 -5.365 1.025 1.00 0.00 H new ATOM 0 HA ASN A 24 11.923 -2.738 1.461 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.113 -4.138 2.100 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.756 -3.368 0.663 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.242 -2.926 3.966 1.00 0.00 H new ATOM 0 HD22 ASN A 24 14.529 -1.183 3.992 1.00 0.00 H new ATOM 349 N ASP A 25 12.597 -1.268 -0.531 1.00 0.00 N ATOM 350 CA ASP A 25 12.629 -0.489 -1.764 1.00 0.00 C ATOM 351 C ASP A 25 11.646 -1.051 -2.787 1.00 0.00 C ATOM 352 O ASP A 25 12.013 -1.324 -3.929 1.00 0.00 O ATOM 353 CB ASP A 25 14.042 -0.476 -2.348 1.00 0.00 C ATOM 354 CG ASP A 25 14.747 -1.809 -2.187 1.00 0.00 C ATOM 355 OD1 ASP A 25 15.391 -2.015 -1.138 1.00 0.00 O ATOM 356 OD2 ASP A 25 14.656 -2.644 -3.111 1.00 0.00 O ATOM 0 H ASP A 25 12.532 -0.709 0.320 1.00 0.00 H new ATOM 0 HA ASP A 25 12.334 0.533 -1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.992 -0.220 -3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.627 0.303 -1.859 1.00 0.00 H new ATOM 361 N MET A 26 10.397 -1.223 -2.367 1.00 0.00 N ATOM 362 CA MET A 26 9.362 -1.752 -3.248 1.00 0.00 C ATOM 363 C MET A 26 8.239 -0.737 -3.439 1.00 0.00 C ATOM 364 O MET A 26 8.229 0.319 -2.806 1.00 0.00 O ATOM 365 CB MET A 26 8.796 -3.055 -2.679 1.00 0.00 C ATOM 366 CG MET A 26 9.646 -4.275 -2.994 1.00 0.00 C ATOM 367 SD MET A 26 9.197 -5.048 -4.561 1.00 0.00 S ATOM 368 CE MET A 26 7.701 -5.916 -4.094 1.00 0.00 C ATOM 0 H MET A 26 10.077 -1.004 -1.423 1.00 0.00 H new ATOM 0 HA MET A 26 9.814 -1.953 -4.219 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.700 -2.958 -1.598 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.792 -3.209 -3.075 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.696 -3.984 -3.025 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.541 -5.004 -2.190 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.748 -6.943 -4.457 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.606 -5.919 -3.008 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.838 -5.415 -4.532 1.00 0.00 H new ATOM 378 N HIS A 27 7.296 -1.064 -4.317 1.00 0.00 N ATOM 379 CA HIS A 27 6.168 -0.180 -4.591 1.00 0.00 C ATOM 380 C HIS A 27 4.846 -0.867 -4.261 1.00 0.00 C ATOM 381 O HIS A 27 4.674 -2.059 -4.520 1.00 0.00 O ATOM 382 CB HIS A 27 6.179 0.255 -6.056 1.00 0.00 C ATOM 383 CG HIS A 27 7.211 1.296 -6.365 1.00 0.00 C ATOM 384 ND1 HIS A 27 8.349 1.633 -5.715 1.00 0.00 N flip ATOM 385 CD2 HIS A 27 7.132 2.133 -7.458 1.00 0.00 C flip ATOM 386 CE1 HIS A 27 8.933 2.657 -6.421 1.00 0.00 C flip ATOM 387 NE2 HIS A 27 8.179 2.939 -7.468 1.00 0.00 N flip ATOM 0 H HIS A 27 7.290 -1.933 -4.850 1.00 0.00 H new ATOM 0 HA HIS A 27 6.266 0.701 -3.957 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.356 -0.618 -6.684 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.195 0.642 -6.319 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.339 2.130 -8.191 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.858 3.151 -6.162 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.372 3.657 -8.166 1.00 0.00 H new ATOM 395 N CYS A 28 3.917 -0.109 -3.690 1.00 0.00 N ATOM 396 CA CYS A 28 2.611 -0.646 -3.324 1.00 0.00 C ATOM 397 C CYS A 28 1.601 0.478 -3.113 1.00 0.00 C ATOM 398 O CYS A 28 1.967 1.651 -3.050 1.00 0.00 O ATOM 399 CB CYS A 28 2.722 -1.493 -2.055 1.00 0.00 C ATOM 400 SG CYS A 28 3.412 -0.610 -0.636 1.00 0.00 S ATOM 0 H CYS A 28 4.043 0.879 -3.470 1.00 0.00 H new ATOM 0 HA CYS A 28 2.262 -1.275 -4.143 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.732 -1.865 -1.791 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.344 -2.363 -2.265 1.00 0.00 H new ATOM 0 HG CYS A 28 4.024 0.461 -1.047 1.00 0.00 H new ATOM 406 N ALA A 29 0.329 0.110 -3.007 1.00 0.00 N ATOM 407 CA ALA A 29 -0.734 1.086 -2.803 1.00 0.00 C ATOM 408 C ALA A 29 -1.363 0.933 -1.422 1.00 0.00 C ATOM 409 O ALA A 29 -1.913 -0.117 -1.092 1.00 0.00 O ATOM 410 CB ALA A 29 -1.794 0.947 -3.886 1.00 0.00 C ATOM 0 H ALA A 29 0.009 -0.857 -3.059 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.295 2.082 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.582 1.682 -3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.340 1.115 -4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.220 -0.056 -3.851 1.00 0.00 H new ATOM 416 N VAL A 30 -1.277 1.988 -0.618 1.00 0.00 N ATOM 417 CA VAL A 30 -1.838 1.971 0.728 1.00 0.00 C ATOM 418 C VAL A 30 -3.193 2.668 0.767 1.00 0.00 C ATOM 419 O VAL A 30 -3.484 3.532 -0.060 1.00 0.00 O ATOM 420 CB VAL A 30 -0.894 2.650 1.738 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.698 4.117 1.384 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.433 2.503 3.153 1.00 0.00 C ATOM 0 H VAL A 30 -0.824 2.865 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.963 0.924 1.006 1.00 0.00 H new ATOM 0 HB VAL A 30 0.077 2.156 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.028 4.580 2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.264 4.196 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.661 4.627 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.753 2.989 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.416 2.970 3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.516 1.445 3.403 1.00 0.00 H new ATOM 432 N LYS A 31 -4.020 2.287 1.735 1.00 0.00 N ATOM 433 CA LYS A 31 -5.346 2.876 1.885 1.00 0.00 C ATOM 434 C LYS A 31 -5.428 3.713 3.158 1.00 0.00 C ATOM 435 O LYS A 31 -5.134 3.228 4.251 1.00 0.00 O ATOM 436 CB LYS A 31 -6.413 1.780 1.913 1.00 0.00 C ATOM 437 CG LYS A 31 -7.831 2.309 1.786 1.00 0.00 C ATOM 438 CD LYS A 31 -8.853 1.277 2.234 1.00 0.00 C ATOM 439 CE LYS A 31 -8.960 1.220 3.750 1.00 0.00 C ATOM 440 NZ LYS A 31 -9.888 2.256 4.280 1.00 0.00 N ATOM 0 H LYS A 31 -3.795 1.573 2.428 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.526 3.528 1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.222 1.078 1.102 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.324 1.222 2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.938 3.213 2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.025 2.589 0.750 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.827 1.519 1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.573 0.296 1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.308 0.232 4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.972 1.359 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.933 2.184 5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.543 3.200 4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.837 2.109 3.881 1.00 0.00 H new ATOM 454 N ILE A 32 -5.831 4.970 3.008 1.00 0.00 N ATOM 455 CA ILE A 32 -5.955 5.873 4.146 1.00 0.00 C ATOM 456 C ILE A 32 -7.241 5.607 4.922 1.00 0.00 C ATOM 457 O ILE A 32 -8.299 5.391 4.331 1.00 0.00 O ATOM 458 CB ILE A 32 -5.933 7.347 3.701 1.00 0.00 C ATOM 459 CG1 ILE A 32 -4.653 7.646 2.917 1.00 0.00 C ATOM 460 CG2 ILE A 32 -6.048 8.266 4.908 1.00 0.00 C ATOM 461 CD1 ILE A 32 -4.582 9.064 2.396 1.00 0.00 C ATOM 0 H ILE A 32 -6.077 5.386 2.110 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.098 5.685 4.792 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.787 7.528 3.049 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.792 7.459 3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.581 6.955 2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.031 9.305 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.984 8.066 5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.211 8.086 5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.649 9.205 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.424 9.249 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.622 9.761 3.233 1.00 0.00 H new ATOM 473 N GLN A 33 -7.141 5.627 6.247 1.00 0.00 N ATOM 474 CA GLN A 33 -8.298 5.389 7.103 1.00 0.00 C ATOM 475 C GLN A 33 -9.138 6.653 7.246 1.00 0.00 C ATOM 476 O GLN A 33 -10.363 6.613 7.129 1.00 0.00 O ATOM 477 CB GLN A 33 -7.847 4.903 8.481 1.00 0.00 C ATOM 478 CG GLN A 33 -6.956 5.893 9.214 1.00 0.00 C ATOM 479 CD GLN A 33 -6.485 5.371 10.557 1.00 0.00 C ATOM 480 OE1 GLN A 33 -7.062 4.434 11.109 1.00 0.00 O ATOM 481 NE2 GLN A 33 -5.430 5.977 11.091 1.00 0.00 N ATOM 0 H GLN A 33 -6.272 5.805 6.751 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.912 4.618 6.637 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.727 4.698 9.091 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.312 3.960 8.367 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.090 6.124 8.594 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.500 6.826 9.362 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.982 6.750 10.598 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.068 5.669 11.993 1.00 0.00 H new ATOM 490 N ASP A 34 -8.472 7.774 7.500 1.00 0.00 N ATOM 491 CA ASP A 34 -9.158 9.052 7.659 1.00 0.00 C ATOM 492 C ASP A 34 -9.878 9.445 6.373 1.00 0.00 C ATOM 493 O ASP A 34 -10.988 9.977 6.408 1.00 0.00 O ATOM 494 CB ASP A 34 -8.163 10.143 8.055 1.00 0.00 C ATOM 495 CG ASP A 34 -8.820 11.502 8.195 1.00 0.00 C ATOM 496 OD1 ASP A 34 -9.983 11.555 8.645 1.00 0.00 O ATOM 497 OD2 ASP A 34 -8.171 12.514 7.854 1.00 0.00 O ATOM 0 H ASP A 34 -7.458 7.824 7.600 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.899 8.943 8.451 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.689 9.873 8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.373 10.200 7.306 1.00 0.00 H new ATOM 502 N LYS A 35 -9.239 9.181 5.238 1.00 0.00 N ATOM 503 CA LYS A 35 -9.818 9.507 3.940 1.00 0.00 C ATOM 504 C LYS A 35 -10.256 8.243 3.207 1.00 0.00 C ATOM 505 O LYS A 35 -10.152 7.138 3.739 1.00 0.00 O ATOM 506 CB LYS A 35 -8.808 10.279 3.088 1.00 0.00 C ATOM 507 CG LYS A 35 -8.714 11.753 3.443 1.00 0.00 C ATOM 508 CD LYS A 35 -7.940 11.967 4.732 1.00 0.00 C ATOM 509 CE LYS A 35 -7.398 13.385 4.828 1.00 0.00 C ATOM 510 NZ LYS A 35 -6.684 13.621 6.113 1.00 0.00 N ATOM 0 H LYS A 35 -8.320 8.742 5.191 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.696 10.131 4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.825 9.823 3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.083 10.184 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.227 12.293 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.717 12.168 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.588 11.766 5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.115 11.257 4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.719 13.571 3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.220 14.095 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.789 14.618 6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.088 13.011 6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.675 13.399 5.995 1.00 0.00 H new ATOM 524 N ASN A 36 -10.745 8.413 1.983 1.00 0.00 N ATOM 525 CA ASN A 36 -11.198 7.286 1.177 1.00 0.00 C ATOM 526 C ASN A 36 -10.508 7.277 -0.184 1.00 0.00 C ATOM 527 O ASN A 36 -11.135 7.002 -1.206 1.00 0.00 O ATOM 528 CB ASN A 36 -12.716 7.342 0.991 1.00 0.00 C ATOM 529 CG ASN A 36 -13.323 5.969 0.773 1.00 0.00 C ATOM 530 OD1 ASN A 36 -13.605 5.576 -0.359 1.00 0.00 O ATOM 531 ND2 ASN A 36 -13.526 5.233 1.859 1.00 0.00 N ATOM 0 H ASN A 36 -10.838 9.321 1.528 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.936 6.368 1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.170 7.802 1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.952 7.980 0.139 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -13.931 4.301 1.775 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.277 5.600 2.778 1.00 0.00 H new ATOM 538 N GLN A 37 -9.214 7.581 -0.187 1.00 0.00 N ATOM 539 CA GLN A 37 -8.439 7.608 -1.422 1.00 0.00 C ATOM 540 C GLN A 37 -7.212 6.709 -1.314 1.00 0.00 C ATOM 541 O GLN A 37 -6.528 6.696 -0.291 1.00 0.00 O ATOM 542 CB GLN A 37 -8.011 9.040 -1.748 1.00 0.00 C ATOM 543 CG GLN A 37 -7.151 9.678 -0.670 1.00 0.00 C ATOM 544 CD GLN A 37 -7.136 11.192 -0.754 1.00 0.00 C ATOM 545 OE1 GLN A 37 -6.096 11.801 -1.005 1.00 0.00 O ATOM 546 NE2 GLN A 37 -8.294 11.808 -0.546 1.00 0.00 N ATOM 0 H GLN A 37 -8.681 7.812 0.651 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.071 7.233 -2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.460 9.040 -2.688 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.901 9.651 -1.900 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.521 9.376 0.310 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.131 9.303 -0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.132 11.263 -0.341 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.346 12.826 -0.591 1.00 0.00 H new ATOM 555 N TRP A 38 -6.939 5.960 -2.376 1.00 0.00 N ATOM 556 CA TRP A 38 -5.793 5.058 -2.400 1.00 0.00 C ATOM 557 C TRP A 38 -4.526 5.798 -2.814 1.00 0.00 C ATOM 558 O TRP A 38 -4.482 6.430 -3.869 1.00 0.00 O ATOM 559 CB TRP A 38 -6.055 3.894 -3.358 1.00 0.00 C ATOM 560 CG TRP A 38 -6.907 2.815 -2.763 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.272 2.771 -2.734 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.452 1.625 -2.110 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.692 1.625 -2.102 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.595 0.905 -1.711 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.190 1.097 -1.826 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.510 -0.313 -1.042 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -5.108 -0.112 -1.162 1.00 0.00 C ATOM 568 CH2 TRP A 38 -6.262 -0.807 -0.776 1.00 0.00 C ATOM 0 H TRP A 38 -7.495 5.959 -3.231 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.649 4.666 -1.393 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.539 4.275 -4.257 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.102 3.465 -3.667 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.925 3.526 -3.147 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.664 1.355 -1.949 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.295 1.624 -2.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.398 -0.849 -0.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.137 -0.529 -0.937 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.165 -1.750 -0.259 1.00 0.00 H new ATOM 579 N ARG A 39 -3.498 5.715 -1.976 1.00 0.00 N ATOM 580 CA ARG A 39 -2.230 6.378 -2.255 1.00 0.00 C ATOM 581 C ARG A 39 -1.135 5.357 -2.547 1.00 0.00 C ATOM 582 O ARG A 39 -1.377 4.150 -2.528 1.00 0.00 O ATOM 583 CB ARG A 39 -1.819 7.258 -1.073 1.00 0.00 C ATOM 584 CG ARG A 39 -2.340 8.684 -1.165 1.00 0.00 C ATOM 585 CD ARG A 39 -1.662 9.591 -0.150 1.00 0.00 C ATOM 586 NE ARG A 39 -2.041 10.990 -0.328 1.00 0.00 N ATOM 587 CZ ARG A 39 -1.904 11.914 0.617 1.00 0.00 C ATOM 588 NH1 ARG A 39 -1.399 11.589 1.799 1.00 0.00 N ATOM 589 NH2 ARG A 39 -2.271 13.167 0.379 1.00 0.00 N ATOM 0 H ARG A 39 -3.518 5.195 -1.099 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.363 7.005 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.183 6.806 -0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.731 7.281 -1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.171 9.070 -2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.417 8.691 -0.998 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.926 9.269 0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.580 9.494 -0.242 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.432 11.273 -1.226 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.114 10.627 1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.295 12.301 2.522 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.658 13.421 -0.530 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.166 13.876 1.105 1.00 0.00 H new ATOM 603 N ARG A 40 0.070 5.849 -2.817 1.00 0.00 N ATOM 604 CA ARG A 40 1.202 4.980 -3.115 1.00 0.00 C ATOM 605 C ARG A 40 2.309 5.155 -2.079 1.00 0.00 C ATOM 606 O ARG A 40 2.562 6.262 -1.608 1.00 0.00 O ATOM 607 CB ARG A 40 1.746 5.276 -4.513 1.00 0.00 C ATOM 608 CG ARG A 40 0.866 4.746 -5.634 1.00 0.00 C ATOM 609 CD ARG A 40 1.368 5.198 -6.997 1.00 0.00 C ATOM 610 NE ARG A 40 1.252 6.643 -7.171 1.00 0.00 N ATOM 611 CZ ARG A 40 1.660 7.287 -8.259 1.00 0.00 C ATOM 612 NH1 ARG A 40 2.207 6.618 -9.264 1.00 0.00 N ATOM 613 NH2 ARG A 40 1.520 8.604 -8.343 1.00 0.00 N ATOM 0 H ARG A 40 0.287 6.845 -2.835 1.00 0.00 H new ATOM 0 HA ARG A 40 0.854 3.948 -3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.858 6.354 -4.629 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.741 4.840 -4.606 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.843 3.657 -5.596 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.158 5.092 -5.489 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.410 4.901 -7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.801 4.692 -7.778 1.00 0.00 H new ATOM 0 HE ARG A 40 0.835 7.188 -6.416 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.316 5.606 -9.204 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.519 7.116 -10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.099 9.122 -7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.833 9.098 -9.179 1.00 0.00 H new ATOM 627 N GLY A 41 2.964 4.052 -1.729 1.00 0.00 N ATOM 628 CA GLY A 41 4.035 4.105 -0.752 1.00 0.00 C ATOM 629 C GLY A 41 5.175 3.163 -1.088 1.00 0.00 C ATOM 630 O GLY A 41 4.960 2.107 -1.682 1.00 0.00 O ATOM 0 H GLY A 41 2.772 3.123 -2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.416 5.124 -0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.638 3.853 0.231 1.00 0.00 H new ATOM 634 N GLN A 42 6.389 3.548 -0.710 1.00 0.00 N ATOM 635 CA GLN A 42 7.567 2.730 -0.979 1.00 0.00 C ATOM 636 C GLN A 42 7.980 1.946 0.262 1.00 0.00 C ATOM 637 O GLN A 42 8.327 2.530 1.290 1.00 0.00 O ATOM 638 CB GLN A 42 8.727 3.609 -1.450 1.00 0.00 C ATOM 639 CG GLN A 42 9.839 2.832 -2.135 1.00 0.00 C ATOM 640 CD GLN A 42 10.996 3.717 -2.557 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.116 4.857 -2.107 1.00 0.00 O ATOM 642 NE2 GLN A 42 11.855 3.195 -3.425 1.00 0.00 N ATOM 0 H GLN A 42 6.583 4.420 -0.217 1.00 0.00 H new ATOM 0 HA GLN A 42 7.314 2.021 -1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.345 4.363 -2.138 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.141 4.140 -0.593 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.206 2.059 -1.460 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.436 2.325 -3.012 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.716 2.246 -3.772 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.653 3.743 -3.745 1.00 0.00 H new ATOM 651 N ILE A 43 7.938 0.622 0.160 1.00 0.00 N ATOM 652 CA ILE A 43 8.309 -0.241 1.275 1.00 0.00 C ATOM 653 C ILE A 43 9.586 0.249 1.949 1.00 0.00 C ATOM 654 O ILE A 43 10.691 -0.123 1.552 1.00 0.00 O ATOM 655 CB ILE A 43 8.510 -1.698 0.816 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.235 -2.229 0.158 1.00 0.00 C ATOM 657 CG2 ILE A 43 8.910 -2.574 1.994 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.012 -2.128 1.043 1.00 0.00 C ATOM 0 H ILE A 43 7.651 0.124 -0.682 1.00 0.00 H new ATOM 0 HA ILE A 43 7.487 -0.204 1.990 1.00 0.00 H new ATOM 0 HB ILE A 43 9.314 -1.724 0.080 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.054 -1.676 -0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.387 -3.272 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.048 -3.600 1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.842 -2.205 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.127 -2.545 2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.145 -2.522 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.173 -2.705 1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.835 -1.084 1.301 1.00 0.00 H new ATOM 670 N ILE A 44 9.427 1.083 2.970 1.00 0.00 N ATOM 671 CA ILE A 44 10.567 1.621 3.702 1.00 0.00 C ATOM 672 C ILE A 44 11.275 0.530 4.497 1.00 0.00 C ATOM 673 O ILE A 44 12.434 0.208 4.234 1.00 0.00 O ATOM 674 CB ILE A 44 10.140 2.746 4.663 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.682 3.974 3.874 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.284 3.107 5.598 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.367 5.170 4.745 1.00 0.00 C ATOM 0 H ILE A 44 8.519 1.401 3.310 1.00 0.00 H new ATOM 0 HA ILE A 44 11.253 2.030 2.960 1.00 0.00 H new ATOM 0 HB ILE A 44 9.303 2.391 5.265 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.460 4.249 3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.796 3.714 3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.966 3.904 6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.568 2.231 6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.139 3.446 5.013 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.049 6.003 4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.568 4.913 5.440 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.257 5.457 5.305 1.00 0.00 H new ATOM 689 N ARG A 45 10.569 -0.038 5.470 1.00 0.00 N ATOM 690 CA ARG A 45 11.129 -1.095 6.304 1.00 0.00 C ATOM 691 C ARG A 45 10.022 -1.917 6.956 1.00 0.00 C ATOM 692 O ARG A 45 9.142 -1.373 7.622 1.00 0.00 O ATOM 693 CB ARG A 45 12.037 -0.497 7.380 1.00 0.00 C ATOM 694 CG ARG A 45 11.300 -0.109 8.652 1.00 0.00 C ATOM 695 CD ARG A 45 12.209 0.637 9.617 1.00 0.00 C ATOM 696 NE ARG A 45 13.058 -0.272 10.382 1.00 0.00 N ATOM 697 CZ ARG A 45 14.220 -0.740 9.939 1.00 0.00 C ATOM 698 NH1 ARG A 45 14.668 -0.386 8.742 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.936 -1.563 10.693 1.00 0.00 N ATOM 0 H ARG A 45 9.608 0.216 5.700 1.00 0.00 H new ATOM 0 HA ARG A 45 11.718 -1.754 5.666 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.817 -1.218 7.627 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.534 0.384 6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.443 0.516 8.401 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.911 -1.005 9.136 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.834 1.335 9.060 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.602 1.229 10.302 1.00 0.00 H new ATOM 0 HE ARG A 45 12.742 -0.564 11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.120 0.247 8.159 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.560 -0.747 8.404 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.595 -1.838 11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.828 -1.922 10.352 1.00 0.00 H new ATOM 713 N MET A 46 10.074 -3.230 6.759 1.00 0.00 N ATOM 714 CA MET A 46 9.075 -4.128 7.330 1.00 0.00 C ATOM 715 C MET A 46 9.203 -4.189 8.848 1.00 0.00 C ATOM 716 O MET A 46 10.146 -4.776 9.379 1.00 0.00 O ATOM 717 CB MET A 46 9.222 -5.531 6.737 1.00 0.00 C ATOM 718 CG MET A 46 8.407 -5.744 5.472 1.00 0.00 C ATOM 719 SD MET A 46 7.984 -7.476 5.201 1.00 0.00 S ATOM 720 CE MET A 46 6.526 -7.633 6.230 1.00 0.00 C ATOM 0 H MET A 46 10.796 -3.696 6.209 1.00 0.00 H new ATOM 0 HA MET A 46 8.088 -3.738 7.082 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.274 -5.715 6.517 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.919 -6.266 7.483 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.491 -5.155 5.531 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.970 -5.373 4.615 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.332 -8.687 6.428 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.688 -7.111 7.173 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.669 -7.197 5.716 1.00 0.00 H new ATOM 730 N VAL A 47 8.248 -3.579 9.543 1.00 0.00 N ATOM 731 CA VAL A 47 8.254 -3.565 11.001 1.00 0.00 C ATOM 732 C VAL A 47 7.920 -4.941 11.565 1.00 0.00 C ATOM 733 O VAL A 47 8.771 -5.607 12.154 1.00 0.00 O ATOM 734 CB VAL A 47 7.251 -2.537 11.557 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.476 -2.320 13.045 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.358 -1.223 10.796 1.00 0.00 C ATOM 0 H VAL A 47 7.460 -3.088 9.120 1.00 0.00 H new ATOM 0 HA VAL A 47 9.260 -3.283 11.310 1.00 0.00 H new ATOM 0 HB VAL A 47 6.243 -2.929 11.421 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.758 -1.590 13.419 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.344 -3.264 13.574 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.488 -1.950 13.210 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.642 -0.508 11.202 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.367 -0.824 10.899 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.141 -1.394 9.742 1.00 0.00 H new ATOM 746 N THR A 48 6.672 -5.363 11.381 1.00 0.00 N ATOM 747 CA THR A 48 6.224 -6.660 11.872 1.00 0.00 C ATOM 748 C THR A 48 5.533 -7.456 10.771 1.00 0.00 C ATOM 749 O THR A 48 5.451 -7.008 9.627 1.00 0.00 O ATOM 750 CB THR A 48 5.258 -6.507 13.062 1.00 0.00 C ATOM 751 OG1 THR A 48 3.913 -6.380 12.588 1.00 0.00 O ATOM 752 CG2 THR A 48 5.622 -5.292 13.902 1.00 0.00 C ATOM 0 H THR A 48 5.954 -4.825 10.895 1.00 0.00 H new ATOM 0 HA THR A 48 7.113 -7.197 12.202 1.00 0.00 H new ATOM 0 HB THR A 48 5.341 -7.397 13.685 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.305 -6.285 13.351 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.926 -5.205 14.736 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.636 -5.405 14.286 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.565 -4.394 13.287 1.00 0.00 H new ATOM 760 N ASP A 49 5.037 -8.637 11.123 1.00 0.00 N ATOM 761 CA ASP A 49 4.351 -9.495 10.164 1.00 0.00 C ATOM 762 C ASP A 49 2.977 -8.931 9.817 1.00 0.00 C ATOM 763 O ASP A 49 2.286 -9.447 8.937 1.00 0.00 O ATOM 764 CB ASP A 49 4.209 -10.911 10.724 1.00 0.00 C ATOM 765 CG ASP A 49 5.421 -11.339 11.528 1.00 0.00 C ATOM 766 OD1 ASP A 49 5.724 -10.677 12.542 1.00 0.00 O ATOM 767 OD2 ASP A 49 6.067 -12.337 11.143 1.00 0.00 O ATOM 0 H ASP A 49 5.097 -9.022 12.066 1.00 0.00 H new ATOM 0 HA ASP A 49 4.949 -9.532 9.254 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.322 -10.962 11.355 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.056 -11.610 9.902 1.00 0.00 H new ATOM 772 N THR A 50 2.585 -7.869 10.514 1.00 0.00 N ATOM 773 CA THR A 50 1.292 -7.237 10.282 1.00 0.00 C ATOM 774 C THR A 50 1.452 -5.749 9.995 1.00 0.00 C ATOM 775 O THR A 50 0.519 -5.091 9.532 1.00 0.00 O ATOM 776 CB THR A 50 0.353 -7.418 11.489 1.00 0.00 C ATOM 777 OG1 THR A 50 0.867 -6.707 12.621 1.00 0.00 O ATOM 778 CG2 THR A 50 0.197 -8.891 11.838 1.00 0.00 C ATOM 0 H THR A 50 3.145 -7.428 11.244 1.00 0.00 H new ATOM 0 HA THR A 50 0.852 -7.727 9.413 1.00 0.00 H new ATOM 0 HB THR A 50 -0.625 -7.018 11.223 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.263 -6.826 13.384 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.471 -8.993 12.694 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.222 -9.425 10.985 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.172 -9.311 12.086 1.00 0.00 H new ATOM 786 N LEU A 51 2.640 -5.222 10.272 1.00 0.00 N ATOM 787 CA LEU A 51 2.922 -3.809 10.043 1.00 0.00 C ATOM 788 C LEU A 51 4.092 -3.637 9.080 1.00 0.00 C ATOM 789 O LEU A 51 4.967 -4.498 8.990 1.00 0.00 O ATOM 790 CB LEU A 51 3.230 -3.109 11.368 1.00 0.00 C ATOM 791 CG LEU A 51 2.137 -3.181 12.435 1.00 0.00 C ATOM 792 CD1 LEU A 51 2.635 -2.597 13.749 1.00 0.00 C ATOM 793 CD2 LEU A 51 0.886 -2.454 11.966 1.00 0.00 C ATOM 0 H LEU A 51 3.423 -5.752 10.655 1.00 0.00 H new ATOM 0 HA LEU A 51 2.038 -3.355 9.596 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.142 -3.541 11.781 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.440 -2.059 11.161 1.00 0.00 H new ATOM 0 HG LEU A 51 1.884 -4.228 12.599 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.844 -2.657 14.497 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.502 -3.161 14.092 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.916 -1.554 13.600 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.119 -2.515 12.738 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.124 -1.408 11.773 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.518 -2.917 11.051 1.00 0.00 H new ATOM 805 N VAL A 52 4.102 -2.517 8.363 1.00 0.00 N ATOM 806 CA VAL A 52 5.166 -2.230 7.409 1.00 0.00 C ATOM 807 C VAL A 52 5.315 -0.729 7.187 1.00 0.00 C ATOM 808 O VAL A 52 4.329 -0.022 6.982 1.00 0.00 O ATOM 809 CB VAL A 52 4.905 -2.915 6.054 1.00 0.00 C ATOM 810 CG1 VAL A 52 5.759 -2.286 4.964 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.168 -4.410 6.154 1.00 0.00 C ATOM 0 H VAL A 52 3.385 -1.794 8.425 1.00 0.00 H new ATOM 0 HA VAL A 52 6.088 -2.625 7.835 1.00 0.00 H new ATOM 0 HB VAL A 52 3.858 -2.771 5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.561 -2.783 4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.516 -1.227 4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.813 -2.397 5.218 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.979 -4.878 5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.206 -4.578 6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.508 -4.846 6.904 1.00 0.00 H new ATOM 821 N GLU A 53 6.554 -0.250 7.229 1.00 0.00 N ATOM 822 CA GLU A 53 6.831 1.168 7.032 1.00 0.00 C ATOM 823 C GLU A 53 6.928 1.503 5.547 1.00 0.00 C ATOM 824 O GLU A 53 7.707 0.896 4.812 1.00 0.00 O ATOM 825 CB GLU A 53 8.130 1.559 7.741 1.00 0.00 C ATOM 826 CG GLU A 53 8.165 3.011 8.189 1.00 0.00 C ATOM 827 CD GLU A 53 9.298 3.296 9.155 1.00 0.00 C ATOM 828 OE1 GLU A 53 10.402 3.647 8.687 1.00 0.00 O ATOM 829 OE2 GLU A 53 9.083 3.167 10.378 1.00 0.00 O ATOM 0 H GLU A 53 7.381 -0.822 7.398 1.00 0.00 H new ATOM 0 HA GLU A 53 6.006 1.736 7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.268 0.916 8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.970 1.374 7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.267 3.655 7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.216 3.264 8.662 1.00 0.00 H new ATOM 836 N VAL A 54 6.130 2.473 5.111 1.00 0.00 N ATOM 837 CA VAL A 54 6.126 2.889 3.714 1.00 0.00 C ATOM 838 C VAL A 54 6.352 4.392 3.588 1.00 0.00 C ATOM 839 O VAL A 54 6.114 5.148 4.531 1.00 0.00 O ATOM 840 CB VAL A 54 4.800 2.521 3.023 1.00 0.00 C ATOM 841 CG1 VAL A 54 4.841 1.087 2.518 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.629 2.727 3.973 1.00 0.00 C ATOM 0 H VAL A 54 5.478 2.985 5.705 1.00 0.00 H new ATOM 0 HA VAL A 54 6.942 2.359 3.223 1.00 0.00 H new ATOM 0 HB VAL A 54 4.663 3.179 2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.895 0.845 2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.655 0.977 1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.002 0.410 3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.700 2.462 3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.758 2.095 4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.590 3.772 4.281 1.00 0.00 H new ATOM 852 N LEU A 55 6.812 4.819 2.417 1.00 0.00 N ATOM 853 CA LEU A 55 7.070 6.232 2.166 1.00 0.00 C ATOM 854 C LEU A 55 6.147 6.770 1.078 1.00 0.00 C ATOM 855 O LEU A 55 6.165 6.294 -0.058 1.00 0.00 O ATOM 856 CB LEU A 55 8.531 6.440 1.760 1.00 0.00 C ATOM 857 CG LEU A 55 8.814 7.650 0.869 1.00 0.00 C ATOM 858 CD1 LEU A 55 8.357 8.932 1.548 1.00 0.00 C ATOM 859 CD2 LEU A 55 10.294 7.725 0.526 1.00 0.00 C ATOM 0 H LEU A 55 7.014 4.207 1.627 1.00 0.00 H new ATOM 0 HA LEU A 55 6.873 6.781 3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.129 6.533 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.874 5.544 1.242 1.00 0.00 H new ATOM 0 HG LEU A 55 8.252 7.534 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.567 9.782 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.286 8.879 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.891 9.055 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.477 8.592 -0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.876 7.817 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.591 6.819 -0.003 1.00 0.00 H new ATOM 871 N LEU A 56 5.341 7.765 1.432 1.00 0.00 N ATOM 872 CA LEU A 56 4.411 8.370 0.485 1.00 0.00 C ATOM 873 C LEU A 56 5.143 9.291 -0.485 1.00 0.00 C ATOM 874 O LEU A 56 4.734 10.432 -0.703 1.00 0.00 O ATOM 875 CB LEU A 56 3.329 9.153 1.231 1.00 0.00 C ATOM 876 CG LEU A 56 2.558 8.379 2.301 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.547 9.283 2.990 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.865 7.170 1.689 1.00 0.00 C ATOM 0 H LEU A 56 5.313 8.170 2.368 1.00 0.00 H new ATOM 0 HA LEU A 56 3.942 7.569 -0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.795 10.019 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.615 9.533 0.501 1.00 0.00 H new ATOM 0 HG LEU A 56 3.268 8.026 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.008 8.715 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.067 10.116 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.841 9.667 2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.321 6.631 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.167 7.501 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.610 6.511 1.243 1.00 0.00 H new ATOM 890 N TYR A 57 6.226 8.788 -1.067 1.00 0.00 N ATOM 891 CA TYR A 57 7.016 9.566 -2.014 1.00 0.00 C ATOM 892 C TYR A 57 6.120 10.456 -2.869 1.00 0.00 C ATOM 893 O TYR A 57 6.528 11.535 -3.301 1.00 0.00 O ATOM 894 CB TYR A 57 7.836 8.636 -2.911 1.00 0.00 C ATOM 895 CG TYR A 57 7.000 7.616 -3.650 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.376 7.937 -4.849 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.834 6.331 -3.149 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.611 7.008 -5.527 1.00 0.00 C ATOM 899 CE2 TYR A 57 6.072 5.395 -3.821 1.00 0.00 C ATOM 900 CZ TYR A 57 5.462 5.738 -5.009 1.00 0.00 C ATOM 901 OH TYR A 57 4.701 4.809 -5.682 1.00 0.00 O ATOM 0 H TYR A 57 6.577 7.845 -0.900 1.00 0.00 H new ATOM 0 HA TYR A 57 7.694 10.203 -1.446 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.386 9.236 -3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.575 8.115 -2.302 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.491 8.930 -5.258 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.309 6.059 -2.218 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.132 7.274 -6.458 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.955 4.400 -3.418 1.00 0.00 H new ATOM 0 HH TYR A 57 4.699 3.965 -5.184 1.00 0.00 H new ATOM 911 N ASP A 58 4.897 9.997 -3.109 1.00 0.00 N ATOM 912 CA ASP A 58 3.940 10.751 -3.911 1.00 0.00 C ATOM 913 C ASP A 58 3.744 12.154 -3.345 1.00 0.00 C ATOM 914 O ASP A 58 3.810 13.144 -4.073 1.00 0.00 O ATOM 915 CB ASP A 58 2.600 10.018 -3.967 1.00 0.00 C ATOM 916 CG ASP A 58 2.113 9.595 -2.595 1.00 0.00 C ATOM 917 OD1 ASP A 58 2.939 9.104 -1.797 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.906 9.755 -2.319 1.00 0.00 O ATOM 0 H ASP A 58 4.544 9.106 -2.760 1.00 0.00 H new ATOM 0 HA ASP A 58 4.339 10.839 -4.922 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.855 10.665 -4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.697 9.138 -4.602 1.00 0.00 H new ATOM 923 N VAL A 59 3.500 12.231 -2.040 1.00 0.00 N ATOM 924 CA VAL A 59 3.293 13.513 -1.376 1.00 0.00 C ATOM 925 C VAL A 59 4.544 13.949 -0.622 1.00 0.00 C ATOM 926 O VAL A 59 4.914 15.122 -0.639 1.00 0.00 O ATOM 927 CB VAL A 59 2.110 13.450 -0.392 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.816 13.140 -1.130 1.00 0.00 C ATOM 929 CG2 VAL A 59 2.374 12.417 0.693 1.00 0.00 C ATOM 0 H VAL A 59 3.441 11.421 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 59 3.070 14.241 -2.155 1.00 0.00 H new ATOM 0 HB VAL A 59 2.004 14.425 0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.008 13.100 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.621 13.920 -1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.907 12.178 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.528 12.386 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.507 11.436 0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.276 12.688 1.241 1.00 0.00 H new ATOM 939 N GLY A 60 5.193 12.995 0.038 1.00 0.00 N ATOM 940 CA GLY A 60 6.397 13.301 0.789 1.00 0.00 C ATOM 941 C GLY A 60 6.229 13.064 2.277 1.00 0.00 C ATOM 942 O GLY A 60 6.794 13.788 3.096 1.00 0.00 O ATOM 0 H GLY A 60 4.907 12.016 0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.219 12.689 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.673 14.342 0.619 1.00 0.00 H new ATOM 946 N VAL A 61 5.447 12.047 2.628 1.00 0.00 N ATOM 947 CA VAL A 61 5.205 11.717 4.027 1.00 0.00 C ATOM 948 C VAL A 61 5.540 10.258 4.313 1.00 0.00 C ATOM 949 O VAL A 61 5.012 9.352 3.669 1.00 0.00 O ATOM 950 CB VAL A 61 3.740 11.983 4.421 1.00 0.00 C ATOM 951 CG1 VAL A 61 3.423 11.341 5.763 1.00 0.00 C ATOM 952 CG2 VAL A 61 3.460 13.478 4.456 1.00 0.00 C ATOM 0 H VAL A 61 4.971 11.438 1.962 1.00 0.00 H new ATOM 0 HA VAL A 61 5.855 12.359 4.621 1.00 0.00 H new ATOM 0 HB VAL A 61 3.092 11.533 3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.384 11.540 6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.582 10.265 5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.076 11.758 6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.420 13.647 4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.115 13.954 5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.644 13.906 3.471 1.00 0.00 H new ATOM 962 N GLU A 62 6.421 10.038 5.284 1.00 0.00 N ATOM 963 CA GLU A 62 6.827 8.687 5.655 1.00 0.00 C ATOM 964 C GLU A 62 5.999 8.174 6.830 1.00 0.00 C ATOM 965 O GLU A 62 6.045 8.733 7.927 1.00 0.00 O ATOM 966 CB GLU A 62 8.314 8.657 6.012 1.00 0.00 C ATOM 967 CG GLU A 62 9.213 9.224 4.926 1.00 0.00 C ATOM 968 CD GLU A 62 9.450 10.713 5.082 1.00 0.00 C ATOM 969 OE1 GLU A 62 9.714 11.156 6.219 1.00 0.00 O ATOM 970 OE2 GLU A 62 9.371 11.436 4.067 1.00 0.00 O ATOM 0 H GLU A 62 6.867 10.777 5.828 1.00 0.00 H new ATOM 0 HA GLU A 62 6.654 8.035 4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.470 9.221 6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.609 7.628 6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.171 8.704 4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.764 9.032 3.951 1.00 0.00 H new ATOM 977 N LEU A 63 5.244 7.107 6.593 1.00 0.00 N ATOM 978 CA LEU A 63 4.405 6.518 7.631 1.00 0.00 C ATOM 979 C LEU A 63 4.367 4.999 7.503 1.00 0.00 C ATOM 980 O LEU A 63 4.815 4.438 6.502 1.00 0.00 O ATOM 981 CB LEU A 63 2.986 7.084 7.550 1.00 0.00 C ATOM 982 CG LEU A 63 1.988 6.275 6.721 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.601 6.894 6.803 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.448 6.184 5.273 1.00 0.00 C ATOM 0 H LEU A 63 5.195 6.632 5.692 1.00 0.00 H new ATOM 0 HA LEU A 63 4.836 6.772 8.600 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.595 7.177 8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.041 8.091 7.135 1.00 0.00 H new ATOM 0 HG LEU A 63 1.938 5.266 7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.096 6.305 6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.269 6.907 7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.634 7.914 6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.726 5.605 4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.527 7.187 4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.421 5.695 5.230 1.00 0.00 H new ATOM 996 N VAL A 64 3.828 4.337 8.522 1.00 0.00 N ATOM 997 CA VAL A 64 3.728 2.883 8.522 1.00 0.00 C ATOM 998 C VAL A 64 2.275 2.431 8.626 1.00 0.00 C ATOM 999 O VAL A 64 1.543 2.861 9.518 1.00 0.00 O ATOM 1000 CB VAL A 64 4.530 2.265 9.683 1.00 0.00 C ATOM 1001 CG1 VAL A 64 4.113 2.882 11.009 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.352 0.754 9.709 1.00 0.00 C ATOM 0 H VAL A 64 3.454 4.785 9.358 1.00 0.00 H new ATOM 0 HA VAL A 64 4.146 2.538 7.576 1.00 0.00 H new ATOM 0 HB VAL A 64 5.587 2.481 9.526 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.690 2.433 11.817 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.298 3.956 10.985 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.052 2.700 11.177 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.926 0.334 10.535 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.297 0.514 9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.706 0.330 8.769 1.00 0.00 H new ATOM 1012 N VAL A 65 1.864 1.562 7.709 1.00 0.00 N ATOM 1013 CA VAL A 65 0.499 1.050 7.698 1.00 0.00 C ATOM 1014 C VAL A 65 0.480 -0.468 7.835 1.00 0.00 C ATOM 1015 O VAL A 65 1.523 -1.119 7.789 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.239 1.448 6.406 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.065 2.933 6.127 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.255 0.615 5.233 1.00 0.00 C ATOM 0 H VAL A 65 2.457 1.197 6.963 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.013 1.495 8.551 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.303 1.251 6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.593 3.195 5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.472 3.509 6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.995 3.160 6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.277 0.909 4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.324 0.779 5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.073 -0.441 5.434 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.714 -1.027 8.002 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.870 -2.470 8.145 1.00 0.00 C ATOM 1030 C ASN A 66 -0.887 -3.153 6.781 1.00 0.00 C ATOM 1031 O ASN A 66 -1.616 -2.742 5.878 1.00 0.00 O ATOM 1032 CB ASN A 66 -2.158 -2.792 8.906 1.00 0.00 C ATOM 1033 CG ASN A 66 -2.056 -4.084 9.694 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -1.496 -4.112 10.790 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.598 -5.160 9.138 1.00 0.00 N ATOM 0 H ASN A 66 -1.588 -0.503 8.042 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.018 -2.848 8.710 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.390 -1.972 9.586 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.985 -2.864 8.200 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.561 -6.057 9.621 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.052 -5.090 8.227 1.00 0.00 H new ATOM 1042 N VAL A 67 -0.080 -4.200 6.639 1.00 0.00 N ATOM 1043 CA VAL A 67 -0.003 -4.942 5.387 1.00 0.00 C ATOM 1044 C VAL A 67 -1.395 -5.247 4.843 1.00 0.00 C ATOM 1045 O VAL A 67 -1.589 -5.357 3.632 1.00 0.00 O ATOM 1046 CB VAL A 67 0.768 -6.263 5.563 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.251 -5.993 5.764 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.200 -7.060 6.729 1.00 0.00 C ATOM 0 H VAL A 67 0.530 -4.553 7.376 1.00 0.00 H new ATOM 0 HA VAL A 67 0.532 -4.311 4.677 1.00 0.00 H new ATOM 0 HB VAL A 67 0.651 -6.856 4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.780 -6.938 5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.646 -5.466 4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.392 -5.380 6.654 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.757 -7.991 6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.285 -6.476 7.645 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.849 -7.285 6.539 1.00 0.00 H new ATOM 1058 N ASP A 68 -2.360 -5.383 5.745 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.735 -5.674 5.356 1.00 0.00 C ATOM 1060 C ASP A 68 -4.226 -4.678 4.311 1.00 0.00 C ATOM 1061 O ASP A 68 -4.952 -5.043 3.385 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.651 -5.641 6.580 1.00 0.00 C ATOM 1063 CG ASP A 68 -6.109 -5.843 6.217 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -6.583 -5.178 5.273 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -6.777 -6.666 6.878 1.00 0.00 O ATOM 0 H ASP A 68 -2.216 -5.296 6.751 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.760 -6.673 4.920 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.343 -6.416 7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.536 -4.685 7.091 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.827 -3.421 4.465 1.00 0.00 N ATOM 1071 CA CYS A 69 -4.228 -2.371 3.535 1.00 0.00 C ATOM 1072 C CYS A 69 -3.272 -2.302 2.348 1.00 0.00 C ATOM 1073 O CYS A 69 -3.656 -1.894 1.251 1.00 0.00 O ATOM 1074 CB CYS A 69 -4.274 -1.019 4.248 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.822 -0.701 5.127 1.00 0.00 S ATOM 0 H CYS A 69 -3.226 -3.103 5.225 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.224 -2.611 3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.448 -0.966 4.957 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.116 -0.228 3.515 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.764 0.465 5.700 1.00 0.00 H new ATOM 1081 N LEU A 70 -2.026 -2.701 2.576 1.00 0.00 N ATOM 1082 CA LEU A 70 -1.013 -2.683 1.526 1.00 0.00 C ATOM 1083 C LEU A 70 -1.400 -3.613 0.380 1.00 0.00 C ATOM 1084 O LEU A 70 -1.823 -4.747 0.604 1.00 0.00 O ATOM 1085 CB LEU A 70 0.347 -3.093 2.094 1.00 0.00 C ATOM 1086 CG LEU A 70 1.021 -2.079 3.019 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.423 -2.540 3.386 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.064 -0.706 2.364 1.00 0.00 C ATOM 0 H LEU A 70 -1.693 -3.041 3.478 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.946 -1.667 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.223 -4.028 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.019 -3.298 1.261 1.00 0.00 H new ATOM 0 HG LEU A 70 0.434 -2.005 3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.887 -1.806 4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.368 -3.502 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.021 -2.644 2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.547 0.003 3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.628 -0.765 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.048 -0.372 2.153 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.249 -3.126 -0.847 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.581 -3.913 -2.028 1.00 0.00 C ATOM 1102 C ARG A 71 -0.490 -3.790 -3.088 1.00 0.00 C ATOM 1103 O ARG A 71 0.185 -2.765 -3.184 1.00 0.00 O ATOM 1104 CB ARG A 71 -2.923 -3.463 -2.607 1.00 0.00 C ATOM 1105 CG ARG A 71 -4.110 -3.785 -1.714 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.316 -5.286 -1.581 1.00 0.00 C ATOM 1107 NE ARG A 71 -4.296 -5.958 -2.878 1.00 0.00 N ATOM 1108 CZ ARG A 71 -5.283 -5.875 -3.763 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -6.361 -5.153 -3.494 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -5.191 -6.516 -4.922 1.00 0.00 N ATOM 0 H ARG A 71 -0.899 -2.190 -1.049 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.655 -4.958 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.892 -2.388 -2.781 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.069 -3.939 -3.577 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.953 -3.349 -0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.010 -3.328 -2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.536 -5.704 -0.944 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.268 -5.479 -1.087 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.480 -6.521 -3.117 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.435 -4.659 -2.605 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.117 -5.092 -4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.362 -7.072 -5.133 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.949 -6.452 -5.602 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.323 -4.842 -3.882 1.00 0.00 N ATOM 1125 CA LYS A 72 0.684 -4.853 -4.937 1.00 0.00 C ATOM 1126 C LYS A 72 0.339 -3.846 -6.029 1.00 0.00 C ATOM 1127 O LYS A 72 -0.807 -3.763 -6.471 1.00 0.00 O ATOM 1128 CB LYS A 72 0.806 -6.255 -5.540 1.00 0.00 C ATOM 1129 CG LYS A 72 1.182 -7.322 -4.527 1.00 0.00 C ATOM 1130 CD LYS A 72 1.659 -8.594 -5.208 1.00 0.00 C ATOM 1131 CE LYS A 72 0.502 -9.360 -5.830 1.00 0.00 C ATOM 1132 NZ LYS A 72 0.862 -10.778 -6.111 1.00 0.00 N ATOM 0 H LYS A 72 -0.872 -5.699 -3.815 1.00 0.00 H new ATOM 0 HA LYS A 72 1.640 -4.570 -4.496 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.142 -6.525 -6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.555 -6.237 -6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.966 -6.943 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.321 -7.546 -3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.388 -8.344 -5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.168 -9.228 -4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.356 -9.329 -5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.200 -8.872 -6.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.047 -11.266 -6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.665 -10.808 -6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.126 -11.252 -5.224 1.00 0.00 H new ATOM 1146 N LEU A 73 1.338 -3.085 -6.462 1.00 0.00 N ATOM 1147 CA LEU A 73 1.141 -2.084 -7.505 1.00 0.00 C ATOM 1148 C LEU A 73 1.320 -2.698 -8.890 1.00 0.00 C ATOM 1149 O LEU A 73 2.438 -2.796 -9.395 1.00 0.00 O ATOM 1150 CB LEU A 73 2.120 -0.924 -7.318 1.00 0.00 C ATOM 1151 CG LEU A 73 1.647 0.441 -7.818 1.00 0.00 C ATOM 1152 CD1 LEU A 73 0.804 1.135 -6.760 1.00 0.00 C ATOM 1153 CD2 LEU A 73 2.835 1.308 -8.208 1.00 0.00 C ATOM 0 H LEU A 73 2.293 -3.142 -6.107 1.00 0.00 H new ATOM 0 HA LEU A 73 0.121 -1.707 -7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.353 -0.839 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.050 -1.174 -7.829 1.00 0.00 H new ATOM 0 HG LEU A 73 1.029 0.287 -8.703 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.477 2.105 -7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.067 0.522 -6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.398 1.276 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.479 2.276 -8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.480 1.453 -7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.399 0.817 -9.001 1.00 0.00 H new ATOM 1165 N GLU A 74 0.211 -3.107 -9.498 1.00 0.00 N ATOM 1166 CA GLU A 74 0.248 -3.710 -10.826 1.00 0.00 C ATOM 1167 C GLU A 74 1.008 -2.821 -11.806 1.00 0.00 C ATOM 1168 O GLU A 74 1.276 -1.654 -11.522 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.173 -3.954 -11.338 1.00 0.00 C ATOM 1170 CG GLU A 74 -1.799 -5.235 -10.811 1.00 0.00 C ATOM 1171 CD GLU A 74 -1.222 -6.476 -11.463 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -1.209 -6.541 -12.710 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -0.783 -7.384 -10.726 1.00 0.00 O ATOM 0 H GLU A 74 -0.722 -3.032 -9.094 1.00 0.00 H new ATOM 0 HA GLU A 74 0.768 -4.665 -10.750 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.802 -3.110 -11.056 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.157 -3.989 -12.427 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.649 -5.292 -9.733 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.875 -5.206 -10.982 1.00 0.00 H new ATOM 1180 N GLU A 75 1.352 -3.384 -12.960 1.00 0.00 N ATOM 1181 CA GLU A 75 2.083 -2.643 -13.982 1.00 0.00 C ATOM 1182 C GLU A 75 1.146 -1.729 -14.767 1.00 0.00 C ATOM 1183 O GLU A 75 1.354 -0.519 -14.833 1.00 0.00 O ATOM 1184 CB GLU A 75 2.789 -3.608 -14.937 1.00 0.00 C ATOM 1185 CG GLU A 75 4.070 -3.048 -15.531 1.00 0.00 C ATOM 1186 CD GLU A 75 5.046 -4.134 -15.942 1.00 0.00 C ATOM 1187 OE1 GLU A 75 4.676 -4.976 -16.787 1.00 0.00 O ATOM 1188 OE2 GLU A 75 6.179 -4.141 -15.419 1.00 0.00 O ATOM 0 H GLU A 75 1.137 -4.349 -13.211 1.00 0.00 H new ATOM 0 HA GLU A 75 2.830 -2.026 -13.482 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.019 -4.530 -14.404 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.107 -3.869 -15.746 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.826 -2.436 -16.399 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.547 -2.392 -14.803 1.00 0.00 H new ATOM 1195 N ASN A 76 0.113 -2.319 -15.359 1.00 0.00 N ATOM 1196 CA ASN A 76 -0.856 -1.559 -16.140 1.00 0.00 C ATOM 1197 C ASN A 76 -1.404 -0.385 -15.335 1.00 0.00 C ATOM 1198 O ASN A 76 -1.301 0.770 -15.751 1.00 0.00 O ATOM 1199 CB ASN A 76 -2.006 -2.465 -16.587 1.00 0.00 C ATOM 1200 CG ASN A 76 -1.518 -3.807 -17.099 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -0.403 -3.922 -17.608 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -2.355 -4.830 -16.966 1.00 0.00 N ATOM 0 H ASN A 76 -0.075 -3.321 -15.313 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.347 -1.167 -17.020 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.686 -2.624 -15.750 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.575 -1.965 -17.371 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.083 -5.757 -17.292 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.270 -4.688 -16.538 1.00 0.00 H new ATOM 1209 N LEU A 77 -1.985 -0.687 -14.179 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.548 0.343 -13.313 1.00 0.00 C ATOM 1211 C LEU A 77 -1.524 1.437 -13.031 1.00 0.00 C ATOM 1212 O LEU A 77 -1.854 2.623 -13.015 1.00 0.00 O ATOM 1213 CB LEU A 77 -3.027 -0.274 -11.998 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.174 -1.280 -12.107 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -4.610 -1.743 -10.726 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -5.346 -0.671 -12.862 1.00 0.00 C ATOM 0 H LEU A 77 -2.079 -1.637 -13.820 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.398 0.791 -13.828 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.180 -0.769 -11.522 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.339 0.532 -11.334 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.820 -2.148 -12.664 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.427 -2.458 -10.823 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.770 -2.218 -10.219 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.946 -0.885 -10.144 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.153 -1.400 -12.930 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.700 0.213 -12.332 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.026 -0.389 -13.865 1.00 0.00 H new