USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 811 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 17 HIS : no HD1:sc= -0.192 K(o=1,f=0.056) USER MOD Set 1.2: A 84 TYR OH : rot -149:sc= 1.23 USER MOD Single : A 5 ASN : amide:sc= -1.44! K(o=-1.4!,f=-0.029) USER MOD Single : A 6 SER OG : rot -47:sc= 1.33 USER MOD Single : A 8 SER OG : rot 101:sc= 0.714 USER MOD Single : A 11 TYR OH : rot 180:sc= 0.272 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 137:sc= -0.667 (180deg=-0.783) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 1.21 (180deg=1.09) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 23 SER OG : rot 180:sc=-0.00505 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 67:sc= 1.24 USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= -0.0204 (180deg=-0.346) USER MOD Single : A 33 MET CE :methyl -139:sc= -0.0324 (180deg=-0.496) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 53 MET CE :methyl -151:sc= -0.129 (180deg=-0.543) USER MOD Single : A 54 GLN : amide:sc= -0.587 X(o=-0.59,f=-0.94) USER MOD Single : A 68 MET CE :methyl 138:sc= -2.76! (180deg=-6.04!) USER MOD Single : A 72 ASN : amide:sc= 0.85 K(o=0.85,f=-6.8!) USER MOD Single : A 73 LYS NZ :NH3+ -170:sc= -0.014 (180deg=-0.247) USER MOD Single : A 78 CYS SG : rot 76:sc= 0.578 USER MOD Single : A 88 THR OG1 : rot -20:sc= 0.437 USER MOD Single : A 92 LYS NZ :NH3+ -168:sc= -0.0309 (180deg=-0.203) USER MOD Single : A 93 TYR OH : rot -162:sc= 0.877 USER MOD Single : A 94 ASN : amide:sc= 0.201! K(o=0.2!,f=-0.44) USER MOD Single : A 103 MET CE :methyl -142:sc= -0.48 (180deg=-3.73!) USER MOD Single : A 104 LYS NZ :NH3+ -164:sc= -0.0155 (180deg=-0.242) USER MOD ----------------------------------------------------------------- ATOM 53 N ASN A 5 -0.868 -3.176 14.579 1.00 0.00 N ATOM 54 CA ASN A 5 -1.768 -2.343 13.789 1.00 0.00 C ATOM 55 C ASN A 5 -0.979 -1.504 12.796 1.00 0.00 C ATOM 56 O ASN A 5 -1.552 -0.881 11.901 1.00 0.00 O ATOM 57 CB ASN A 5 -2.611 -1.424 14.681 1.00 0.00 C ATOM 58 CG ASN A 5 -3.617 -2.173 15.540 1.00 0.00 C ATOM 59 OD1 ASN A 5 -4.006 -1.703 16.607 1.00 0.00 O ATOM 60 ND2 ASN A 5 -4.047 -3.341 15.087 1.00 0.00 N ATOM 0 HA ASN A 5 -2.441 -3.009 13.249 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -1.948 -0.850 15.328 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.142 -0.708 14.053 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.722 -3.881 15.628 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.703 -3.701 14.197 1.00 0.00 H new ATOM 67 N SER A 6 0.337 -1.481 12.969 1.00 0.00 N ATOM 68 CA SER A 6 1.220 -0.780 12.052 1.00 0.00 C ATOM 69 C SER A 6 1.127 -1.398 10.659 1.00 0.00 C ATOM 70 O SER A 6 1.017 -2.624 10.518 1.00 0.00 O ATOM 71 CB SER A 6 2.661 -0.829 12.564 1.00 0.00 C ATOM 72 OG SER A 6 2.742 -0.337 13.892 1.00 0.00 O ATOM 0 H SER A 6 0.816 -1.944 13.742 1.00 0.00 H new ATOM 0 HA SER A 6 0.910 0.263 11.992 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.029 -1.854 12.528 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.303 -0.237 11.912 1.00 0.00 H new ATOM 0 HG SER A 6 2.244 0.504 13.960 1.00 0.00 H new ATOM 78 N PHE A 7 1.165 -0.550 9.638 1.00 0.00 N ATOM 79 CA PHE A 7 0.979 -0.993 8.264 1.00 0.00 C ATOM 80 C PHE A 7 1.991 -2.074 7.893 1.00 0.00 C ATOM 81 O PHE A 7 1.625 -3.085 7.304 1.00 0.00 O ATOM 82 CB PHE A 7 1.094 0.193 7.301 1.00 0.00 C ATOM 83 CG PHE A 7 0.459 -0.055 5.961 1.00 0.00 C ATOM 84 CD1 PHE A 7 1.180 -0.632 4.929 1.00 0.00 C ATOM 85 CD2 PHE A 7 -0.863 0.292 5.737 1.00 0.00 C ATOM 86 CE1 PHE A 7 0.593 -0.857 3.698 1.00 0.00 C ATOM 87 CE2 PHE A 7 -1.457 0.070 4.509 1.00 0.00 C ATOM 88 CZ PHE A 7 -0.727 -0.506 3.487 1.00 0.00 C ATOM 0 H PHE A 7 1.324 0.453 9.738 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.020 -1.420 8.180 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.630 1.067 7.757 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.148 0.431 7.156 1.00 0.00 H new ATOM 0 HD1 PHE A 7 2.212 -0.909 5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.438 0.742 6.533 1.00 0.00 H new ATOM 0 HE1 PHE A 7 1.166 -1.307 2.901 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.489 0.346 4.349 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.187 -0.682 2.526 1.00 0.00 H new ATOM 98 N SER A 8 3.256 -1.864 8.260 1.00 0.00 N ATOM 99 CA SER A 8 4.320 -2.821 7.952 1.00 0.00 C ATOM 100 C SER A 8 4.024 -4.214 8.517 1.00 0.00 C ATOM 101 O SER A 8 4.357 -5.225 7.897 1.00 0.00 O ATOM 102 CB SER A 8 5.656 -2.319 8.496 1.00 0.00 C ATOM 103 OG SER A 8 5.992 -1.064 7.935 1.00 0.00 O ATOM 0 H SER A 8 3.569 -1.039 8.771 1.00 0.00 H new ATOM 0 HA SER A 8 4.373 -2.906 6.867 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.602 -2.234 9.581 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.439 -3.043 8.272 1.00 0.00 H new ATOM 0 HG SER A 8 5.790 -0.353 8.579 1.00 0.00 H new ATOM 109 N ALA A 9 3.388 -4.264 9.681 1.00 0.00 N ATOM 110 CA ALA A 9 3.084 -5.535 10.327 1.00 0.00 C ATOM 111 C ALA A 9 2.055 -6.316 9.519 1.00 0.00 C ATOM 112 O ALA A 9 2.290 -7.464 9.124 1.00 0.00 O ATOM 113 CB ALA A 9 2.584 -5.300 11.744 1.00 0.00 C ATOM 0 H ALA A 9 3.073 -3.442 10.196 1.00 0.00 H new ATOM 0 HA ALA A 9 3.999 -6.126 10.375 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.361 -6.258 12.215 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.352 -4.783 12.320 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.681 -4.691 11.715 1.00 0.00 H new ATOM 119 N ILE A 10 0.923 -5.674 9.254 1.00 0.00 N ATOM 120 CA ILE A 10 -0.145 -6.300 8.486 1.00 0.00 C ATOM 121 C ILE A 10 0.308 -6.540 7.049 1.00 0.00 C ATOM 122 O ILE A 10 -0.100 -7.512 6.413 1.00 0.00 O ATOM 123 CB ILE A 10 -1.427 -5.440 8.506 1.00 0.00 C ATOM 124 CG1 ILE A 10 -1.854 -5.182 9.953 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.549 -6.125 7.732 1.00 0.00 C ATOM 126 CD1 ILE A 10 -3.084 -4.313 10.084 1.00 0.00 C ATOM 0 H ILE A 10 0.722 -4.722 9.559 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.376 -7.259 8.950 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.217 -4.486 8.022 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.043 -6.138 10.441 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.029 -4.709 10.486 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.443 -5.502 7.759 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.240 -6.272 6.697 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.767 -7.092 8.186 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.322 -4.177 11.139 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.894 -3.342 9.626 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.924 -4.793 9.581 1.00 0.00 H new ATOM 138 N TYR A 11 1.169 -5.654 6.557 1.00 0.00 N ATOM 139 CA TYR A 11 1.763 -5.795 5.233 1.00 0.00 C ATOM 140 C TYR A 11 2.482 -7.132 5.092 1.00 0.00 C ATOM 141 O TYR A 11 2.281 -7.841 4.110 1.00 0.00 O ATOM 142 CB TYR A 11 2.728 -4.633 4.962 1.00 0.00 C ATOM 143 CG TYR A 11 3.729 -4.884 3.854 1.00 0.00 C ATOM 144 CD1 TYR A 11 3.320 -5.253 2.578 1.00 0.00 C ATOM 145 CD2 TYR A 11 5.091 -4.744 4.092 1.00 0.00 C ATOM 146 CE1 TYR A 11 4.242 -5.478 1.573 1.00 0.00 C ATOM 147 CE2 TYR A 11 6.017 -4.965 3.093 1.00 0.00 C ATOM 148 CZ TYR A 11 5.588 -5.333 1.837 1.00 0.00 C ATOM 149 OH TYR A 11 6.505 -5.542 0.837 1.00 0.00 O ATOM 0 H TYR A 11 1.473 -4.822 7.063 1.00 0.00 H new ATOM 0 HA TYR A 11 0.962 -5.768 4.494 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.145 -3.746 4.712 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.272 -4.409 5.880 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.266 -5.366 2.369 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.431 -4.457 5.076 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.910 -5.766 0.586 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.072 -4.850 3.295 1.00 0.00 H new ATOM 0 HH TYR A 11 7.409 -5.398 1.187 1.00 0.00 H new ATOM 159 N LYS A 12 3.309 -7.482 6.072 1.00 0.00 N ATOM 160 CA LYS A 12 4.052 -8.736 6.008 1.00 0.00 C ATOM 161 C LYS A 12 3.097 -9.923 6.018 1.00 0.00 C ATOM 162 O LYS A 12 3.287 -10.888 5.277 1.00 0.00 O ATOM 163 CB LYS A 12 5.044 -8.862 7.166 1.00 0.00 C ATOM 164 CG LYS A 12 5.960 -10.070 7.028 1.00 0.00 C ATOM 165 CD LYS A 12 6.807 -10.290 8.268 1.00 0.00 C ATOM 166 CE LYS A 12 7.767 -11.456 8.083 1.00 0.00 C ATOM 167 NZ LYS A 12 8.512 -11.771 9.333 1.00 0.00 N ATOM 0 H LYS A 12 3.480 -6.924 6.909 1.00 0.00 H new ATOM 0 HA LYS A 12 4.616 -8.734 5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.649 -7.957 7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.494 -8.934 8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.360 -10.960 6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.611 -9.934 6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.371 -9.384 8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.160 -10.482 9.124 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.210 -12.336 7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.475 -11.220 7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.154 -12.571 9.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.064 -10.940 9.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.839 -12.022 10.085 1.00 0.00 H new ATOM 181 N GLU A 13 2.067 -9.842 6.853 1.00 0.00 N ATOM 182 CA GLU A 13 1.069 -10.902 6.931 1.00 0.00 C ATOM 183 C GLU A 13 0.339 -11.036 5.596 1.00 0.00 C ATOM 184 O GLU A 13 0.219 -12.134 5.046 1.00 0.00 O ATOM 185 CB GLU A 13 0.075 -10.614 8.059 1.00 0.00 C ATOM 186 CG GLU A 13 -0.790 -11.807 8.428 1.00 0.00 C ATOM 187 CD GLU A 13 -1.768 -11.498 9.542 1.00 0.00 C ATOM 188 OE1 GLU A 13 -1.356 -10.887 10.549 1.00 0.00 O ATOM 189 OE2 GLU A 13 -2.951 -11.878 9.423 1.00 0.00 O ATOM 0 H GLU A 13 1.902 -9.057 7.483 1.00 0.00 H new ATOM 0 HA GLU A 13 1.573 -11.844 7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.625 -10.288 8.942 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.570 -9.787 7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.341 -12.137 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.149 -12.635 8.732 1.00 0.00 H new ATOM 196 N TRP A 14 -0.125 -9.905 5.074 1.00 0.00 N ATOM 197 CA TRP A 14 -0.786 -9.851 3.773 1.00 0.00 C ATOM 198 C TRP A 14 0.132 -10.397 2.682 1.00 0.00 C ATOM 199 O TRP A 14 -0.276 -11.241 1.881 1.00 0.00 O ATOM 200 CB TRP A 14 -1.197 -8.402 3.470 1.00 0.00 C ATOM 201 CG TRP A 14 -1.643 -8.157 2.058 1.00 0.00 C ATOM 202 CD1 TRP A 14 -2.875 -8.403 1.522 1.00 0.00 C ATOM 203 CD2 TRP A 14 -0.854 -7.592 1.004 1.00 0.00 C ATOM 204 NE1 TRP A 14 -2.896 -8.030 0.198 1.00 0.00 N ATOM 205 CE2 TRP A 14 -1.667 -7.530 -0.141 1.00 0.00 C ATOM 206 CE3 TRP A 14 0.464 -7.135 0.920 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -1.205 -7.029 -1.355 1.00 0.00 C ATOM 208 CZ3 TRP A 14 0.921 -6.638 -0.284 1.00 0.00 C ATOM 209 CH2 TRP A 14 0.089 -6.587 -1.407 1.00 0.00 C ATOM 0 H TRP A 14 -0.054 -9.000 5.540 1.00 0.00 H new ATOM 0 HA TRP A 14 -1.680 -10.474 3.797 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.004 -8.119 4.146 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.354 -7.747 3.689 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.710 -8.828 2.059 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.696 -8.112 -0.429 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.114 -7.170 1.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -1.845 -6.991 -2.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 1.938 -6.283 -0.360 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.476 -6.191 -2.334 1.00 0.00 H new ATOM 220 N TYR A 15 1.375 -9.926 2.679 1.00 0.00 N ATOM 221 CA TYR A 15 2.379 -10.370 1.721 1.00 0.00 C ATOM 222 C TYR A 15 2.548 -11.882 1.761 1.00 0.00 C ATOM 223 O TYR A 15 2.457 -12.544 0.731 1.00 0.00 O ATOM 224 CB TYR A 15 3.722 -9.688 1.998 1.00 0.00 C ATOM 225 CG TYR A 15 4.888 -10.318 1.266 1.00 0.00 C ATOM 226 CD1 TYR A 15 4.906 -10.396 -0.121 1.00 0.00 C ATOM 227 CD2 TYR A 15 5.965 -10.848 1.968 1.00 0.00 C ATOM 228 CE1 TYR A 15 5.964 -10.979 -0.788 1.00 0.00 C ATOM 229 CE2 TYR A 15 7.028 -11.433 1.309 1.00 0.00 C ATOM 230 CZ TYR A 15 7.022 -11.496 -0.071 1.00 0.00 C ATOM 231 OH TYR A 15 8.078 -12.072 -0.741 1.00 0.00 O ATOM 0 H TYR A 15 1.713 -9.227 3.340 1.00 0.00 H new ATOM 0 HA TYR A 15 2.035 -10.090 0.725 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.651 -8.638 1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.919 -9.716 3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.078 -9.994 -0.686 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.970 -10.801 3.047 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.963 -11.030 -1.867 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.858 -11.838 1.868 1.00 0.00 H new ATOM 0 HH TYR A 15 8.743 -12.387 -0.094 1.00 0.00 H new ATOM 241 N GLU A 16 2.778 -12.426 2.949 1.00 0.00 N ATOM 242 CA GLU A 16 3.038 -13.851 3.093 1.00 0.00 C ATOM 243 C GLU A 16 1.838 -14.668 2.619 1.00 0.00 C ATOM 244 O GLU A 16 1.992 -15.749 2.053 1.00 0.00 O ATOM 245 CB GLU A 16 3.350 -14.199 4.546 1.00 0.00 C ATOM 246 CG GLU A 16 4.276 -15.392 4.685 1.00 0.00 C ATOM 247 CD GLU A 16 5.736 -14.994 4.682 1.00 0.00 C ATOM 248 OE1 GLU A 16 6.273 -14.690 3.598 1.00 0.00 O ATOM 249 OE2 GLU A 16 6.356 -14.996 5.765 1.00 0.00 O ATOM 0 H GLU A 16 2.790 -11.903 3.825 1.00 0.00 H new ATOM 0 HA GLU A 16 3.902 -14.097 2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.804 -13.335 5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.418 -14.406 5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.048 -15.919 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.091 -16.089 3.868 1.00 0.00 H new ATOM 256 N HIS A 17 0.644 -14.133 2.847 1.00 0.00 N ATOM 257 CA HIS A 17 -0.589 -14.798 2.434 1.00 0.00 C ATOM 258 C HIS A 17 -0.740 -14.761 0.916 1.00 0.00 C ATOM 259 O HIS A 17 -1.011 -15.784 0.282 1.00 0.00 O ATOM 260 CB HIS A 17 -1.808 -14.143 3.098 1.00 0.00 C ATOM 261 CG HIS A 17 -1.999 -14.499 4.545 1.00 0.00 C ATOM 262 ND1 HIS A 17 -0.960 -14.657 5.435 1.00 0.00 N ATOM 263 CD2 HIS A 17 -3.130 -14.722 5.257 1.00 0.00 C ATOM 264 CE1 HIS A 17 -1.442 -14.958 6.625 1.00 0.00 C ATOM 265 NE2 HIS A 17 -2.757 -15.002 6.549 1.00 0.00 N ATOM 0 H HIS A 17 0.502 -13.239 3.317 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.533 -15.838 2.755 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.713 -13.060 3.013 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.703 -14.429 2.546 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.141 -14.686 4.878 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.856 -15.139 7.514 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.391 -15.209 7.320 1.00 0.00 H new ATOM 274 N LYS A 18 -0.540 -13.586 0.330 1.00 0.00 N ATOM 275 CA LYS A 18 -0.693 -13.414 -1.112 1.00 0.00 C ATOM 276 C LYS A 18 0.494 -14.010 -1.866 1.00 0.00 C ATOM 277 O LYS A 18 0.432 -14.213 -3.078 1.00 0.00 O ATOM 278 CB LYS A 18 -0.856 -11.933 -1.465 1.00 0.00 C ATOM 279 CG LYS A 18 -2.100 -11.293 -0.863 1.00 0.00 C ATOM 280 CD LYS A 18 -3.373 -11.991 -1.321 1.00 0.00 C ATOM 281 CE LYS A 18 -3.670 -11.732 -2.792 1.00 0.00 C ATOM 282 NZ LYS A 18 -4.123 -10.336 -3.037 1.00 0.00 N ATOM 0 H LYS A 18 -0.272 -12.738 0.830 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.593 -13.947 -1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.024 -11.388 -1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.893 -11.829 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.037 -11.329 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.141 -10.241 -1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.278 -13.064 -1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.212 -11.647 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.775 -11.931 -3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.438 -12.426 -3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.656 -9.964 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.154 -10.325 -3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.876 -9.742 -2.220 1.00 0.00 H new ATOM 296 N LYS A 19 1.564 -14.304 -1.136 1.00 0.00 N ATOM 297 CA LYS A 19 2.755 -14.923 -1.712 1.00 0.00 C ATOM 298 C LYS A 19 2.446 -16.349 -2.166 1.00 0.00 C ATOM 299 O LYS A 19 3.184 -16.948 -2.951 1.00 0.00 O ATOM 300 CB LYS A 19 3.889 -14.929 -0.681 1.00 0.00 C ATOM 301 CG LYS A 19 5.239 -15.336 -1.247 1.00 0.00 C ATOM 302 CD LYS A 19 6.312 -15.355 -0.175 1.00 0.00 C ATOM 303 CE LYS A 19 6.125 -16.525 0.775 1.00 0.00 C ATOM 304 NZ LYS A 19 7.091 -16.486 1.900 1.00 0.00 N ATOM 0 H LYS A 19 1.632 -14.122 -0.135 1.00 0.00 H new ATOM 0 HA LYS A 19 3.068 -14.344 -2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.975 -13.934 -0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.626 -15.610 0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.161 -16.324 -1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.526 -14.643 -2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.295 -15.417 -0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.285 -14.421 0.386 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.109 -16.513 1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.244 -17.460 0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.034 -17.374 2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.054 -16.369 1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.863 -15.687 2.526 1.00 0.00 H new ATOM 318 N GLN A 20 1.349 -16.892 -1.657 1.00 0.00 N ATOM 319 CA GLN A 20 0.898 -18.218 -2.047 1.00 0.00 C ATOM 320 C GLN A 20 -0.011 -18.131 -3.271 1.00 0.00 C ATOM 321 O GLN A 20 -0.342 -19.142 -3.891 1.00 0.00 O ATOM 322 CB GLN A 20 0.161 -18.886 -0.884 1.00 0.00 C ATOM 323 CG GLN A 20 1.040 -19.119 0.337 1.00 0.00 C ATOM 324 CD GLN A 20 0.275 -19.703 1.510 1.00 0.00 C ATOM 325 OE1 GLN A 20 -0.915 -19.442 1.687 1.00 0.00 O ATOM 326 NE2 GLN A 20 0.952 -20.505 2.315 1.00 0.00 N ATOM 0 H GLN A 20 0.753 -16.431 -0.970 1.00 0.00 H new ATOM 0 HA GLN A 20 1.768 -18.822 -2.304 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.688 -18.265 -0.598 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.242 -19.842 -1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.855 -19.792 0.069 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.493 -18.174 0.639 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.937 -20.696 2.134 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.489 -20.932 3.117 1.00 0.00 H new ATOM 335 N VAL A 21 -0.395 -16.910 -3.621 1.00 0.00 N ATOM 336 CA VAL A 21 -1.297 -16.675 -4.741 1.00 0.00 C ATOM 337 C VAL A 21 -0.519 -16.239 -5.979 1.00 0.00 C ATOM 338 O VAL A 21 -0.805 -16.674 -7.097 1.00 0.00 O ATOM 339 CB VAL A 21 -2.354 -15.600 -4.397 1.00 0.00 C ATOM 340 CG1 VAL A 21 -3.344 -15.418 -5.540 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.083 -15.958 -3.110 1.00 0.00 C ATOM 0 H VAL A 21 -0.093 -16.062 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.808 -17.615 -4.947 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.834 -14.654 -4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.075 -14.656 -5.270 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.810 -15.106 -6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.856 -16.361 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.823 -15.190 -2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.583 -16.919 -3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.366 -16.022 -2.292 1.00 0.00 H new ATOM 351 N TRP A 22 0.470 -15.384 -5.776 1.00 0.00 N ATOM 352 CA TRP A 22 1.289 -14.897 -6.876 1.00 0.00 C ATOM 353 C TRP A 22 2.521 -15.770 -7.049 1.00 0.00 C ATOM 354 O TRP A 22 2.856 -16.563 -6.169 1.00 0.00 O ATOM 355 CB TRP A 22 1.732 -13.453 -6.634 1.00 0.00 C ATOM 356 CG TRP A 22 0.607 -12.501 -6.380 1.00 0.00 C ATOM 357 CD1 TRP A 22 -0.604 -12.465 -7.012 1.00 0.00 C ATOM 358 CD2 TRP A 22 0.600 -11.431 -5.435 1.00 0.00 C ATOM 359 NE1 TRP A 22 -1.367 -11.442 -6.505 1.00 0.00 N ATOM 360 CE2 TRP A 22 -0.648 -10.789 -5.537 1.00 0.00 C ATOM 361 CE3 TRP A 22 1.530 -10.954 -4.507 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.989 -9.697 -4.746 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.192 -9.868 -3.722 1.00 0.00 C ATOM 364 CH2 TRP A 22 -0.060 -9.250 -3.846 1.00 0.00 C ATOM 0 H TRP A 22 0.726 -15.013 -4.861 1.00 0.00 H new ATOM 0 HA TRP A 22 0.682 -14.936 -7.780 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.411 -13.431 -5.782 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.297 -13.108 -7.500 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -0.915 -13.141 -7.795 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -2.314 -11.206 -6.800 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.496 -11.426 -4.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.953 -9.219 -4.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.903 -9.490 -3.002 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.296 -8.404 -3.218 1.00 0.00 H new ATOM 375 N SER A 23 3.187 -15.625 -8.182 1.00 0.00 N ATOM 376 CA SER A 23 4.451 -16.301 -8.403 1.00 0.00 C ATOM 377 C SER A 23 5.511 -15.707 -7.482 1.00 0.00 C ATOM 378 O SER A 23 5.580 -14.490 -7.318 1.00 0.00 O ATOM 379 CB SER A 23 4.870 -16.175 -9.870 1.00 0.00 C ATOM 380 OG SER A 23 4.778 -14.831 -10.316 1.00 0.00 O ATOM 0 H SER A 23 2.873 -15.046 -8.961 1.00 0.00 H new ATOM 0 HA SER A 23 4.341 -17.361 -8.175 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.893 -16.532 -9.991 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.236 -16.810 -10.488 1.00 0.00 H new ATOM 0 HG SER A 23 5.053 -14.778 -11.255 1.00 0.00 H new ATOM 386 N VAL A 24 6.317 -16.566 -6.872 1.00 0.00 N ATOM 387 CA VAL A 24 7.321 -16.134 -5.901 1.00 0.00 C ATOM 388 C VAL A 24 8.266 -15.086 -6.486 1.00 0.00 C ATOM 389 O VAL A 24 8.641 -14.132 -5.798 1.00 0.00 O ATOM 390 CB VAL A 24 8.133 -17.332 -5.368 1.00 0.00 C ATOM 391 CG1 VAL A 24 9.189 -16.881 -4.368 1.00 0.00 C ATOM 392 CG2 VAL A 24 7.199 -18.346 -4.733 1.00 0.00 C ATOM 0 H VAL A 24 6.297 -17.573 -7.032 1.00 0.00 H new ATOM 0 HA VAL A 24 6.780 -15.678 -5.072 1.00 0.00 H new ATOM 0 HB VAL A 24 8.649 -17.798 -6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.745 -17.748 -4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.874 -16.185 -4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.705 -16.387 -3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.778 -19.190 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.662 -17.879 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.484 -18.698 -5.477 1.00 0.00 H new ATOM 402 N GLY A 25 8.634 -15.255 -7.750 1.00 0.00 N ATOM 403 CA GLY A 25 9.489 -14.283 -8.408 1.00 0.00 C ATOM 404 C GLY A 25 8.866 -12.901 -8.415 1.00 0.00 C ATOM 405 O GLY A 25 9.497 -11.921 -8.010 1.00 0.00 O ATOM 0 H GLY A 25 8.357 -16.046 -8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.453 -14.245 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.680 -14.601 -9.433 1.00 0.00 H new ATOM 409 N TYR A 26 7.613 -12.829 -8.845 1.00 0.00 N ATOM 410 CA TYR A 26 6.893 -11.567 -8.891 1.00 0.00 C ATOM 411 C TYR A 26 6.572 -11.074 -7.483 1.00 0.00 C ATOM 412 O TYR A 26 6.669 -9.881 -7.202 1.00 0.00 O ATOM 413 CB TYR A 26 5.606 -11.714 -9.709 1.00 0.00 C ATOM 414 CG TYR A 26 4.767 -10.455 -9.765 1.00 0.00 C ATOM 415 CD1 TYR A 26 5.276 -9.279 -10.304 1.00 0.00 C ATOM 416 CD2 TYR A 26 3.466 -10.439 -9.272 1.00 0.00 C ATOM 417 CE1 TYR A 26 4.515 -8.126 -10.351 1.00 0.00 C ATOM 418 CE2 TYR A 26 2.699 -9.292 -9.316 1.00 0.00 C ATOM 419 CZ TYR A 26 3.227 -8.138 -9.857 1.00 0.00 C ATOM 420 OH TYR A 26 2.466 -6.990 -9.901 1.00 0.00 O ATOM 0 H TYR A 26 7.075 -13.633 -9.167 1.00 0.00 H new ATOM 0 HA TYR A 26 7.532 -10.829 -9.375 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.865 -12.012 -10.725 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.007 -12.519 -9.284 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.284 -9.266 -10.693 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.049 -11.340 -8.847 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.927 -7.221 -10.772 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.691 -9.298 -8.929 1.00 0.00 H new ATOM 0 HH TYR A 26 1.583 -7.168 -9.514 1.00 0.00 H new ATOM 430 N ALA A 27 6.209 -12.000 -6.597 1.00 0.00 N ATOM 431 CA ALA A 27 5.855 -11.649 -5.227 1.00 0.00 C ATOM 432 C ALA A 27 7.027 -10.990 -4.511 1.00 0.00 C ATOM 433 O ALA A 27 6.850 -10.029 -3.766 1.00 0.00 O ATOM 434 CB ALA A 27 5.390 -12.881 -4.465 1.00 0.00 C ATOM 0 H ALA A 27 6.153 -12.997 -6.805 1.00 0.00 H new ATOM 0 HA ALA A 27 5.035 -10.932 -5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.130 -12.601 -3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.516 -13.306 -4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.191 -13.620 -4.445 1.00 0.00 H new ATOM 440 N THR A 28 8.226 -11.503 -4.750 1.00 0.00 N ATOM 441 CA THR A 28 9.425 -10.965 -4.129 1.00 0.00 C ATOM 442 C THR A 28 9.730 -9.558 -4.650 1.00 0.00 C ATOM 443 O THR A 28 10.026 -8.651 -3.869 1.00 0.00 O ATOM 444 CB THR A 28 10.631 -11.895 -4.364 1.00 0.00 C ATOM 445 OG1 THR A 28 10.312 -13.216 -3.900 1.00 0.00 O ATOM 446 CG2 THR A 28 11.867 -11.387 -3.637 1.00 0.00 C ATOM 0 H THR A 28 8.393 -12.294 -5.372 1.00 0.00 H new ATOM 0 HA THR A 28 9.242 -10.901 -3.056 1.00 0.00 H new ATOM 0 HB THR A 28 10.846 -11.915 -5.432 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.613 -13.602 -4.468 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.701 -12.064 -3.822 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.120 -10.391 -4.001 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.667 -11.342 -2.567 1.00 0.00 H new ATOM 454 N GLU A 29 9.635 -9.372 -5.965 1.00 0.00 N ATOM 455 CA GLU A 29 9.858 -8.057 -6.560 1.00 0.00 C ATOM 456 C GLU A 29 8.784 -7.073 -6.112 1.00 0.00 C ATOM 457 O GLU A 29 9.087 -5.935 -5.752 1.00 0.00 O ATOM 458 CB GLU A 29 9.886 -8.136 -8.087 1.00 0.00 C ATOM 459 CG GLU A 29 11.126 -8.818 -8.636 1.00 0.00 C ATOM 460 CD GLU A 29 11.198 -8.759 -10.146 1.00 0.00 C ATOM 461 OE1 GLU A 29 11.701 -7.749 -10.683 1.00 0.00 O ATOM 462 OE2 GLU A 29 10.763 -9.728 -10.806 1.00 0.00 O ATOM 0 H GLU A 29 9.407 -10.108 -6.633 1.00 0.00 H new ATOM 0 HA GLU A 29 10.830 -7.702 -6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.003 -8.674 -8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.825 -7.128 -8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.013 -8.346 -8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.136 -9.860 -8.315 1.00 0.00 H new ATOM 469 N LEU A 30 7.533 -7.523 -6.128 1.00 0.00 N ATOM 470 CA LEU A 30 6.411 -6.708 -5.680 1.00 0.00 C ATOM 471 C LEU A 30 6.623 -6.263 -4.238 1.00 0.00 C ATOM 472 O LEU A 30 6.345 -5.114 -3.885 1.00 0.00 O ATOM 473 CB LEU A 30 5.098 -7.499 -5.823 1.00 0.00 C ATOM 474 CG LEU A 30 3.813 -6.772 -5.396 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.625 -7.299 -6.184 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.555 -6.951 -3.904 1.00 0.00 C ATOM 0 H LEU A 30 7.271 -8.455 -6.449 1.00 0.00 H new ATOM 0 HA LEU A 30 6.347 -5.816 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.991 -7.798 -6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.184 -8.414 -5.236 1.00 0.00 H new ATOM 0 HG LEU A 30 3.943 -5.710 -5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.721 -6.776 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.792 -7.133 -7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.509 -8.367 -5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.640 -6.427 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.448 -8.012 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.392 -6.542 -3.338 1.00 0.00 H new ATOM 488 N ALA A 31 7.126 -7.179 -3.417 1.00 0.00 N ATOM 489 CA ALA A 31 7.376 -6.895 -2.014 1.00 0.00 C ATOM 490 C ALA A 31 8.477 -5.859 -1.844 1.00 0.00 C ATOM 491 O ALA A 31 8.260 -4.826 -1.231 1.00 0.00 O ATOM 492 CB ALA A 31 7.731 -8.167 -1.264 1.00 0.00 C ATOM 0 H ALA A 31 7.368 -8.127 -3.704 1.00 0.00 H new ATOM 0 HA ALA A 31 6.458 -6.484 -1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.914 -7.932 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.906 -8.875 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.628 -8.608 -1.699 1.00 0.00 H new ATOM 498 N LYS A 32 9.650 -6.116 -2.412 1.00 0.00 N ATOM 499 CA LYS A 32 10.784 -5.216 -2.217 1.00 0.00 C ATOM 500 C LYS A 32 10.501 -3.842 -2.829 1.00 0.00 C ATOM 501 O LYS A 32 11.023 -2.823 -2.368 1.00 0.00 O ATOM 502 CB LYS A 32 12.066 -5.804 -2.806 1.00 0.00 C ATOM 503 CG LYS A 32 13.318 -5.135 -2.262 1.00 0.00 C ATOM 504 CD LYS A 32 14.576 -5.643 -2.943 1.00 0.00 C ATOM 505 CE LYS A 32 15.824 -5.036 -2.320 1.00 0.00 C ATOM 506 NZ LYS A 32 15.731 -3.554 -2.225 1.00 0.00 N ATOM 0 H LYS A 32 9.841 -6.926 -3.002 1.00 0.00 H new ATOM 0 HA LYS A 32 10.927 -5.096 -1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.105 -6.871 -2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.045 -5.700 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.242 -4.056 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.388 -5.315 -1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.620 -6.729 -2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.541 -5.399 -4.005 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.974 -5.455 -1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.696 -5.308 -2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.665 -3.162 -1.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.413 -3.167 -3.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.050 -3.296 -1.483 1.00 0.00 H new ATOM 520 N MET A 33 9.668 -3.817 -3.863 1.00 0.00 N ATOM 521 CA MET A 33 9.230 -2.564 -4.458 1.00 0.00 C ATOM 522 C MET A 33 8.336 -1.809 -3.475 1.00 0.00 C ATOM 523 O MET A 33 8.506 -0.609 -3.253 1.00 0.00 O ATOM 524 CB MET A 33 8.502 -2.832 -5.779 1.00 0.00 C ATOM 525 CG MET A 33 7.895 -1.594 -6.416 1.00 0.00 C ATOM 526 SD MET A 33 6.104 -1.520 -6.212 1.00 0.00 S ATOM 527 CE MET A 33 5.575 -2.850 -7.289 1.00 0.00 C ATOM 0 H MET A 33 9.283 -4.652 -4.306 1.00 0.00 H new ATOM 0 HA MET A 33 10.099 -1.943 -4.675 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.202 -3.283 -6.482 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.712 -3.562 -5.604 1.00 0.00 H new ATOM 0 HG2 MET A 33 8.345 -0.705 -5.975 1.00 0.00 H new ATOM 0 HG3 MET A 33 8.137 -1.580 -7.479 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.687 -2.540 -7.841 1.00 0.00 H new ATOM 0 HE2 MET A 33 6.374 -3.089 -7.991 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.341 -3.731 -6.691 1.00 0.00 H new ATOM 537 N PHE A 34 7.404 -2.536 -2.868 1.00 0.00 N ATOM 538 CA PHE A 34 6.539 -1.989 -1.826 1.00 0.00 C ATOM 539 C PHE A 34 7.402 -1.527 -0.650 1.00 0.00 C ATOM 540 O PHE A 34 7.206 -0.447 -0.097 1.00 0.00 O ATOM 541 CB PHE A 34 5.556 -3.077 -1.369 1.00 0.00 C ATOM 542 CG PHE A 34 4.391 -2.588 -0.552 1.00 0.00 C ATOM 543 CD1 PHE A 34 4.570 -2.114 0.738 1.00 0.00 C ATOM 544 CD2 PHE A 34 3.110 -2.623 -1.074 1.00 0.00 C ATOM 545 CE1 PHE A 34 3.494 -1.684 1.488 1.00 0.00 C ATOM 546 CE2 PHE A 34 2.029 -2.192 -0.330 1.00 0.00 C ATOM 547 CZ PHE A 34 2.222 -1.721 0.952 1.00 0.00 C ATOM 0 H PHE A 34 7.226 -3.517 -3.082 1.00 0.00 H new ATOM 0 HA PHE A 34 5.977 -1.138 -2.210 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.171 -3.589 -2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.104 -3.816 -0.785 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.563 -2.081 1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.953 -2.992 -2.077 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.647 -1.319 2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.035 -2.224 -0.751 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.379 -1.382 1.536 1.00 0.00 H new ATOM 557 N ASP A 35 8.363 -2.370 -0.297 1.00 0.00 N ATOM 558 CA ASP A 35 9.312 -2.102 0.777 1.00 0.00 C ATOM 559 C ASP A 35 9.977 -0.738 0.634 1.00 0.00 C ATOM 560 O ASP A 35 9.749 0.164 1.438 1.00 0.00 O ATOM 561 CB ASP A 35 10.405 -3.177 0.788 1.00 0.00 C ATOM 562 CG ASP A 35 10.184 -4.266 1.818 1.00 0.00 C ATOM 563 OD1 ASP A 35 9.364 -5.175 1.575 1.00 0.00 O ATOM 564 OD2 ASP A 35 10.876 -4.235 2.862 1.00 0.00 O ATOM 0 H ASP A 35 8.508 -3.271 -0.754 1.00 0.00 H new ATOM 0 HA ASP A 35 8.748 -2.113 1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.463 -3.632 -0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.367 -2.701 0.977 1.00 0.00 H new ATOM 569 N ASP A 36 10.785 -0.591 -0.406 1.00 0.00 N ATOM 570 CA ASP A 36 11.679 0.558 -0.529 1.00 0.00 C ATOM 571 C ASP A 36 10.940 1.851 -0.874 1.00 0.00 C ATOM 572 O ASP A 36 11.407 2.938 -0.547 1.00 0.00 O ATOM 573 CB ASP A 36 12.754 0.272 -1.579 1.00 0.00 C ATOM 574 CG ASP A 36 13.810 1.359 -1.650 1.00 0.00 C ATOM 575 OD1 ASP A 36 14.535 1.558 -0.649 1.00 0.00 O ATOM 576 OD2 ASP A 36 13.931 2.012 -2.709 1.00 0.00 O ATOM 0 H ASP A 36 10.842 -1.253 -1.180 1.00 0.00 H new ATOM 0 HA ASP A 36 12.142 0.708 0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.234 -0.680 -1.351 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.282 0.166 -2.556 1.00 0.00 H new ATOM 581 N ASP A 37 9.788 1.743 -1.514 1.00 0.00 N ATOM 582 CA ASP A 37 9.063 2.935 -1.952 1.00 0.00 C ATOM 583 C ASP A 37 7.924 3.303 -1.006 1.00 0.00 C ATOM 584 O ASP A 37 7.694 4.481 -0.735 1.00 0.00 O ATOM 585 CB ASP A 37 8.519 2.748 -3.371 1.00 0.00 C ATOM 586 CG ASP A 37 9.598 2.882 -4.428 1.00 0.00 C ATOM 587 OD1 ASP A 37 10.171 3.985 -4.559 1.00 0.00 O ATOM 588 OD2 ASP A 37 9.873 1.892 -5.136 1.00 0.00 O ATOM 0 H ASP A 37 9.335 0.858 -1.742 1.00 0.00 H new ATOM 0 HA ASP A 37 9.779 3.757 -1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.055 1.765 -3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.738 3.485 -3.558 1.00 0.00 H new ATOM 593 N ILE A 38 7.224 2.307 -0.485 1.00 0.00 N ATOM 594 CA ILE A 38 6.007 2.560 0.278 1.00 0.00 C ATOM 595 C ILE A 38 6.258 2.570 1.787 1.00 0.00 C ATOM 596 O ILE A 38 5.695 3.401 2.509 1.00 0.00 O ATOM 597 CB ILE A 38 4.918 1.518 -0.057 1.00 0.00 C ATOM 598 CG1 ILE A 38 4.730 1.440 -1.577 1.00 0.00 C ATOM 599 CG2 ILE A 38 3.607 1.864 0.640 1.00 0.00 C ATOM 600 CD1 ILE A 38 3.571 0.575 -2.017 1.00 0.00 C ATOM 0 H ILE A 38 7.474 1.322 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 38 5.661 3.552 -0.012 1.00 0.00 H new ATOM 0 HB ILE A 38 5.236 0.541 0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.584 2.448 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.646 1.055 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.854 1.117 0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.761 1.877 1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.268 2.846 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.510 0.575 -3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.723 -0.444 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.644 0.970 -1.601 1.00 0.00 H new ATOM 612 N LEU A 39 7.112 1.671 2.266 1.00 0.00 N ATOM 613 CA LEU A 39 7.337 1.532 3.707 1.00 0.00 C ATOM 614 C LEU A 39 7.945 2.790 4.352 1.00 0.00 C ATOM 615 O LEU A 39 7.534 3.160 5.450 1.00 0.00 O ATOM 616 CB LEU A 39 8.196 0.305 4.017 1.00 0.00 C ATOM 617 CG LEU A 39 7.525 -1.044 3.742 1.00 0.00 C ATOM 618 CD1 LEU A 39 8.404 -2.182 4.232 1.00 0.00 C ATOM 619 CD2 LEU A 39 6.154 -1.107 4.400 1.00 0.00 C ATOM 0 H LEU A 39 7.657 1.032 1.687 1.00 0.00 H new ATOM 0 HA LEU A 39 6.351 1.397 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.112 0.364 3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.488 0.341 5.067 1.00 0.00 H new ATOM 0 HG LEU A 39 7.391 -1.148 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.913 -3.134 4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.363 -2.150 3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.568 -2.079 5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.695 -2.073 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.261 -0.980 5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.523 -0.312 4.002 1.00 0.00 H new ATOM 631 N PRO A 40 8.924 3.479 3.717 1.00 0.00 N ATOM 632 CA PRO A 40 9.479 4.724 4.275 1.00 0.00 C ATOM 633 C PRO A 40 8.449 5.852 4.332 1.00 0.00 C ATOM 634 O PRO A 40 8.695 6.903 4.923 1.00 0.00 O ATOM 635 CB PRO A 40 10.607 5.089 3.307 1.00 0.00 C ATOM 636 CG PRO A 40 10.263 4.387 2.042 1.00 0.00 C ATOM 637 CD PRO A 40 9.598 3.110 2.458 1.00 0.00 C ATOM 0 HA PRO A 40 9.810 4.585 5.304 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.667 6.167 3.158 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.576 4.766 3.688 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.598 4.993 1.426 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.155 4.189 1.448 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.888 2.762 1.708 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.322 2.309 2.608 1.00 0.00 H new ATOM 645 N ILE A 41 7.297 5.631 3.713 1.00 0.00 N ATOM 646 CA ILE A 41 6.255 6.641 3.666 1.00 0.00 C ATOM 647 C ILE A 41 5.170 6.364 4.703 1.00 0.00 C ATOM 648 O ILE A 41 4.943 7.177 5.597 1.00 0.00 O ATOM 649 CB ILE A 41 5.620 6.733 2.261 1.00 0.00 C ATOM 650 CG1 ILE A 41 6.699 6.928 1.189 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.616 7.873 2.207 1.00 0.00 C ATOM 652 CD1 ILE A 41 7.523 8.190 1.362 1.00 0.00 C ATOM 0 H ILE A 41 7.063 4.760 3.237 1.00 0.00 H new ATOM 0 HA ILE A 41 6.727 7.596 3.897 1.00 0.00 H new ATOM 0 HB ILE A 41 5.100 5.796 2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.367 6.067 1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.223 6.949 0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.177 7.925 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.829 7.700 2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.120 8.813 2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.263 8.254 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.868 9.061 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.030 8.164 2.326 1.00 0.00 H new ATOM 664 N ILE A 42 4.507 5.216 4.596 1.00 0.00 N ATOM 665 CA ILE A 42 3.399 4.905 5.499 1.00 0.00 C ATOM 666 C ILE A 42 3.646 3.630 6.296 1.00 0.00 C ATOM 667 O ILE A 42 2.761 3.158 7.009 1.00 0.00 O ATOM 668 CB ILE A 42 2.063 4.743 4.746 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.122 3.543 3.804 1.00 0.00 C ATOM 670 CG2 ILE A 42 1.720 6.012 3.978 1.00 0.00 C ATOM 671 CD1 ILE A 42 0.763 2.967 3.498 1.00 0.00 C ATOM 0 H ILE A 42 4.712 4.494 3.905 1.00 0.00 H new ATOM 0 HA ILE A 42 3.337 5.755 6.178 1.00 0.00 H new ATOM 0 HB ILE A 42 1.276 4.566 5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.602 3.843 2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.747 2.769 4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.774 5.876 3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.633 6.846 4.674 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.508 6.224 3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.871 2.117 2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.290 2.638 4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.143 3.729 3.025 1.00 0.00 H new ATOM 683 N GLY A 43 4.846 3.084 6.192 1.00 0.00 N ATOM 684 CA GLY A 43 5.146 1.826 6.852 1.00 0.00 C ATOM 685 C GLY A 43 5.040 1.921 8.361 1.00 0.00 C ATOM 686 O GLY A 43 4.645 0.957 9.026 1.00 0.00 O ATOM 0 H GLY A 43 5.620 3.487 5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.462 1.058 6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.153 1.509 6.581 1.00 0.00 H new ATOM 690 N GLY A 44 5.376 3.086 8.898 1.00 0.00 N ATOM 691 CA GLY A 44 5.334 3.282 10.332 1.00 0.00 C ATOM 692 C GLY A 44 4.017 3.866 10.798 1.00 0.00 C ATOM 693 O GLY A 44 3.880 4.253 11.961 1.00 0.00 O ATOM 0 H GLY A 44 5.678 3.901 8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.502 2.328 10.831 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.147 3.944 10.629 1.00 0.00 H new ATOM 697 N LEU A 45 3.048 3.940 9.894 1.00 0.00 N ATOM 698 CA LEU A 45 1.735 4.453 10.238 1.00 0.00 C ATOM 699 C LEU A 45 0.791 3.300 10.546 1.00 0.00 C ATOM 700 O LEU A 45 0.838 2.259 9.888 1.00 0.00 O ATOM 701 CB LEU A 45 1.175 5.300 9.089 1.00 0.00 C ATOM 702 CG LEU A 45 2.005 6.534 8.723 1.00 0.00 C ATOM 703 CD1 LEU A 45 1.520 7.141 7.419 1.00 0.00 C ATOM 704 CD2 LEU A 45 1.942 7.570 9.831 1.00 0.00 C ATOM 0 H LEU A 45 3.149 3.651 8.921 1.00 0.00 H new ATOM 0 HA LEU A 45 1.826 5.084 11.122 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.083 4.669 8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.169 5.625 9.355 1.00 0.00 H new ATOM 0 HG LEU A 45 3.040 6.217 8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.124 8.016 7.178 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.611 6.406 6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.476 7.437 7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.538 8.439 9.551 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.907 7.875 9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.336 7.141 10.753 1.00 0.00 H new ATOM 716 N GLU A 46 -0.037 3.471 11.563 1.00 0.00 N ATOM 717 CA GLU A 46 -1.062 2.489 11.876 1.00 0.00 C ATOM 718 C GLU A 46 -2.091 2.471 10.765 1.00 0.00 C ATOM 719 O GLU A 46 -2.559 3.519 10.335 1.00 0.00 O ATOM 720 CB GLU A 46 -1.738 2.790 13.217 1.00 0.00 C ATOM 721 CG GLU A 46 -0.971 2.272 14.426 1.00 0.00 C ATOM 722 CD GLU A 46 0.457 2.773 14.478 1.00 0.00 C ATOM 723 OE1 GLU A 46 0.653 4.003 14.569 1.00 0.00 O ATOM 724 OE2 GLU A 46 1.386 1.940 14.419 1.00 0.00 O ATOM 0 H GLU A 46 -0.020 4.279 12.185 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.589 1.510 11.959 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.865 3.868 13.315 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.735 2.350 13.216 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.490 2.574 15.336 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.968 1.182 14.408 1.00 0.00 H new ATOM 731 N ILE A 47 -2.450 1.278 10.323 1.00 0.00 N ATOM 732 CA ILE A 47 -3.296 1.102 9.149 1.00 0.00 C ATOM 733 C ILE A 47 -4.658 1.794 9.303 1.00 0.00 C ATOM 734 O ILE A 47 -5.308 2.138 8.315 1.00 0.00 O ATOM 735 CB ILE A 47 -3.495 -0.401 8.857 1.00 0.00 C ATOM 736 CG1 ILE A 47 -4.111 -0.599 7.476 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.364 -1.047 9.929 1.00 0.00 C ATOM 738 CD1 ILE A 47 -4.121 -2.037 7.020 1.00 0.00 C ATOM 0 H ILE A 47 -2.165 0.404 10.765 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.785 1.573 8.309 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.519 -0.886 8.872 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.134 -0.223 7.486 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.558 -0.001 6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.492 -2.106 9.704 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.884 -0.938 10.901 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.339 -0.560 9.949 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.573 -2.102 6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.099 -2.412 6.977 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.698 -2.638 7.723 1.00 0.00 H new ATOM 750 N GLN A 48 -5.070 2.013 10.541 1.00 0.00 N ATOM 751 CA GLN A 48 -6.360 2.627 10.818 1.00 0.00 C ATOM 752 C GLN A 48 -6.233 4.148 10.928 1.00 0.00 C ATOM 753 O GLN A 48 -7.221 4.881 10.816 1.00 0.00 O ATOM 754 CB GLN A 48 -6.934 2.039 12.107 1.00 0.00 C ATOM 755 CG GLN A 48 -8.325 2.542 12.441 1.00 0.00 C ATOM 756 CD GLN A 48 -8.905 1.873 13.668 1.00 0.00 C ATOM 757 OE1 GLN A 48 -8.177 1.483 14.582 1.00 0.00 O ATOM 758 NE2 GLN A 48 -10.219 1.737 13.698 1.00 0.00 N ATOM 0 H GLN A 48 -4.529 1.774 11.372 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.037 2.413 9.991 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.962 0.953 12.019 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.264 2.275 12.933 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.289 3.620 12.602 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.984 2.368 11.591 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.785 2.074 12.919 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.668 1.295 14.500 1.00 0.00 H new ATOM 767 N ASP A 49 -5.009 4.618 11.120 1.00 0.00 N ATOM 768 CA ASP A 49 -4.748 6.044 11.290 1.00 0.00 C ATOM 769 C ASP A 49 -3.614 6.487 10.379 1.00 0.00 C ATOM 770 O ASP A 49 -2.476 6.669 10.820 1.00 0.00 O ATOM 771 CB ASP A 49 -4.414 6.377 12.748 1.00 0.00 C ATOM 772 CG ASP A 49 -5.632 6.361 13.653 1.00 0.00 C ATOM 773 OD1 ASP A 49 -6.369 7.368 13.675 1.00 0.00 O ATOM 774 OD2 ASP A 49 -5.858 5.341 14.340 1.00 0.00 O ATOM 0 H ASP A 49 -4.176 4.031 11.162 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.654 6.585 11.018 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.682 5.660 13.120 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.948 7.361 12.793 1.00 0.00 H new ATOM 779 N ILE A 50 -3.922 6.638 9.101 1.00 0.00 N ATOM 780 CA ILE A 50 -2.930 7.031 8.115 1.00 0.00 C ATOM 781 C ILE A 50 -3.285 8.373 7.492 1.00 0.00 C ATOM 782 O ILE A 50 -4.442 8.635 7.168 1.00 0.00 O ATOM 783 CB ILE A 50 -2.773 5.957 7.007 1.00 0.00 C ATOM 784 CG1 ILE A 50 -2.162 4.687 7.597 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.917 6.473 5.855 1.00 0.00 C ATOM 786 CD1 ILE A 50 -1.955 3.572 6.597 1.00 0.00 C ATOM 0 H ILE A 50 -4.857 6.493 8.721 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.977 7.126 8.636 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.762 5.728 6.610 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.202 4.936 8.049 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.807 4.326 8.398 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.825 5.698 5.094 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.387 7.355 5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.927 6.735 6.227 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.518 2.709 7.099 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.914 3.291 6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.284 3.911 5.808 1.00 0.00 H new ATOM 798 N GLU A 51 -2.274 9.218 7.350 1.00 0.00 N ATOM 799 CA GLU A 51 -2.417 10.515 6.709 1.00 0.00 C ATOM 800 C GLU A 51 -2.742 10.340 5.222 1.00 0.00 C ATOM 801 O GLU A 51 -1.966 9.743 4.474 1.00 0.00 O ATOM 802 CB GLU A 51 -1.110 11.300 6.917 1.00 0.00 C ATOM 803 CG GLU A 51 -0.936 12.532 6.051 1.00 0.00 C ATOM 804 CD GLU A 51 -2.063 13.528 6.188 1.00 0.00 C ATOM 805 OE1 GLU A 51 -2.244 14.076 7.294 1.00 0.00 O ATOM 806 OE2 GLU A 51 -2.771 13.768 5.188 1.00 0.00 O ATOM 0 H GLU A 51 -1.328 9.021 7.678 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.243 11.072 7.152 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.053 11.603 7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.272 10.628 6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.003 13.020 6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.857 12.225 5.008 1.00 0.00 H new ATOM 813 N PRO A 52 -3.917 10.830 4.785 1.00 0.00 N ATOM 814 CA PRO A 52 -4.374 10.714 3.396 1.00 0.00 C ATOM 815 C PRO A 52 -3.356 11.242 2.381 1.00 0.00 C ATOM 816 O PRO A 52 -3.135 10.626 1.339 1.00 0.00 O ATOM 817 CB PRO A 52 -5.662 11.555 3.351 1.00 0.00 C ATOM 818 CG PRO A 52 -5.685 12.330 4.626 1.00 0.00 C ATOM 819 CD PRO A 52 -4.911 11.518 5.621 1.00 0.00 C ATOM 0 HA PRO A 52 -4.524 9.670 3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.664 12.221 2.488 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.542 10.918 3.264 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.235 13.314 4.492 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.708 12.491 4.966 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.438 12.147 6.375 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.551 10.812 6.151 1.00 0.00 H new ATOM 827 N MET A 53 -2.721 12.368 2.697 1.00 0.00 N ATOM 828 CA MET A 53 -1.742 12.959 1.784 1.00 0.00 C ATOM 829 C MET A 53 -0.434 12.177 1.820 1.00 0.00 C ATOM 830 O MET A 53 0.408 12.306 0.930 1.00 0.00 O ATOM 831 CB MET A 53 -1.486 14.430 2.127 1.00 0.00 C ATOM 832 CG MET A 53 -2.733 15.300 2.059 1.00 0.00 C ATOM 833 SD MET A 53 -2.369 17.063 2.201 1.00 0.00 S ATOM 834 CE MET A 53 -1.447 17.102 3.736 1.00 0.00 C ATOM 0 H MET A 53 -2.863 12.885 3.565 1.00 0.00 H new ATOM 0 HA MET A 53 -2.154 12.909 0.776 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.065 14.492 3.130 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.738 14.829 1.442 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.248 15.115 1.116 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.416 15.010 2.857 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.590 18.067 4.222 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.802 16.309 4.394 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.387 16.954 3.528 1.00 0.00 H new ATOM 844 N GLN A 54 -0.285 11.347 2.843 1.00 0.00 N ATOM 845 CA GLN A 54 0.900 10.518 2.994 1.00 0.00 C ATOM 846 C GLN A 54 0.766 9.296 2.099 1.00 0.00 C ATOM 847 O GLN A 54 1.731 8.834 1.494 1.00 0.00 O ATOM 848 CB GLN A 54 1.061 10.090 4.457 1.00 0.00 C ATOM 849 CG GLN A 54 2.457 9.622 4.824 1.00 0.00 C ATOM 850 CD GLN A 54 3.483 10.729 4.715 1.00 0.00 C ATOM 851 OE1 GLN A 54 3.168 11.908 4.883 1.00 0.00 O ATOM 852 NE2 GLN A 54 4.721 10.357 4.457 1.00 0.00 N ATOM 0 H GLN A 54 -0.976 11.231 3.585 1.00 0.00 H new ATOM 0 HA GLN A 54 1.784 11.086 2.704 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.791 10.928 5.100 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.355 9.287 4.668 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.451 9.234 5.843 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.745 8.798 4.171 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.940 9.370 4.324 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.460 11.057 4.390 1.00 0.00 H new ATOM 861 N LEU A 55 -0.455 8.787 2.005 1.00 0.00 N ATOM 862 CA LEU A 55 -0.750 7.679 1.113 1.00 0.00 C ATOM 863 C LEU A 55 -0.570 8.129 -0.335 1.00 0.00 C ATOM 864 O LEU A 55 -0.104 7.372 -1.186 1.00 0.00 O ATOM 865 CB LEU A 55 -2.175 7.171 1.351 1.00 0.00 C ATOM 866 CG LEU A 55 -2.523 5.848 0.664 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.589 4.743 1.136 1.00 0.00 C ATOM 868 CD2 LEU A 55 -3.971 5.470 0.939 1.00 0.00 C ATOM 0 H LEU A 55 -1.257 9.126 2.537 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.061 6.859 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.327 7.055 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.876 7.933 1.011 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.396 5.974 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.850 3.809 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.560 5.008 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.688 4.619 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.201 4.527 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.121 5.361 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.629 6.251 0.558 1.00 0.00 H new ATOM 880 N LEU A 56 -0.920 9.386 -0.598 1.00 0.00 N ATOM 881 CA LEU A 56 -0.705 9.981 -1.910 1.00 0.00 C ATOM 882 C LEU A 56 0.793 10.127 -2.168 1.00 0.00 C ATOM 883 O LEU A 56 1.251 10.015 -3.303 1.00 0.00 O ATOM 884 CB LEU A 56 -1.431 11.339 -2.002 1.00 0.00 C ATOM 885 CG LEU A 56 -1.413 12.047 -3.371 1.00 0.00 C ATOM 886 CD1 LEU A 56 -0.143 12.862 -3.557 1.00 0.00 C ATOM 887 CD2 LEU A 56 -1.567 11.045 -4.505 1.00 0.00 C ATOM 0 H LEU A 56 -1.354 10.010 0.082 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.121 9.331 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.471 11.188 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.989 12.011 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.262 12.731 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.162 13.348 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.079 13.619 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.724 12.204 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.551 11.571 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.746 10.329 -4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.514 10.517 -4.398 1.00 0.00 H new ATOM 899 N GLU A 57 1.553 10.348 -1.103 1.00 0.00 N ATOM 900 CA GLU A 57 3.002 10.452 -1.208 1.00 0.00 C ATOM 901 C GLU A 57 3.597 9.110 -1.634 1.00 0.00 C ATOM 902 O GLU A 57 4.651 9.065 -2.260 1.00 0.00 O ATOM 903 CB GLU A 57 3.601 10.927 0.118 1.00 0.00 C ATOM 904 CG GLU A 57 5.075 11.287 0.035 1.00 0.00 C ATOM 905 CD GLU A 57 5.527 12.131 1.206 1.00 0.00 C ATOM 906 OE1 GLU A 57 5.135 13.318 1.266 1.00 0.00 O ATOM 907 OE2 GLU A 57 6.273 11.623 2.069 1.00 0.00 O ATOM 0 H GLU A 57 1.190 10.459 -0.156 1.00 0.00 H new ATOM 0 HA GLU A 57 3.250 11.191 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.044 11.797 0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.470 10.145 0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.668 10.373 -0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.263 11.827 -0.893 1.00 0.00 H new ATOM 914 N VAL A 58 2.909 8.021 -1.302 1.00 0.00 N ATOM 915 CA VAL A 58 3.271 6.699 -1.812 1.00 0.00 C ATOM 916 C VAL A 58 3.072 6.642 -3.329 1.00 0.00 C ATOM 917 O VAL A 58 3.981 6.275 -4.082 1.00 0.00 O ATOM 918 CB VAL A 58 2.434 5.581 -1.146 1.00 0.00 C ATOM 919 CG1 VAL A 58 2.642 4.253 -1.855 1.00 0.00 C ATOM 920 CG2 VAL A 58 2.788 5.453 0.326 1.00 0.00 C ATOM 0 H VAL A 58 2.098 8.026 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 58 4.321 6.534 -1.570 1.00 0.00 H new ATOM 0 HB VAL A 58 1.382 5.853 -1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.043 3.483 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.337 4.345 -2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.695 3.977 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.189 4.662 0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.846 5.209 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.584 6.396 0.833 1.00 0.00 H new ATOM 930 N ILE A 59 1.879 7.017 -3.771 1.00 0.00 N ATOM 931 CA ILE A 59 1.576 7.074 -5.196 1.00 0.00 C ATOM 932 C ILE A 59 2.579 7.983 -5.911 1.00 0.00 C ATOM 933 O ILE A 59 3.075 7.656 -6.992 1.00 0.00 O ATOM 934 CB ILE A 59 0.125 7.573 -5.454 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.902 6.446 -5.279 1.00 0.00 C ATOM 936 CG2 ILE A 59 -0.012 8.175 -6.844 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.972 5.869 -3.882 1.00 0.00 C ATOM 0 H ILE A 59 1.105 7.286 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 59 1.656 6.062 -5.594 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.078 8.345 -4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.887 6.825 -5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.664 5.644 -5.978 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.037 8.514 -6.994 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.668 9.021 -6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.234 7.422 -7.593 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.723 5.080 -3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.001 5.456 -3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.243 6.655 -3.177 1.00 0.00 H new ATOM 949 N ARG A 60 2.901 9.108 -5.282 1.00 0.00 N ATOM 950 CA ARG A 60 3.818 10.072 -5.871 1.00 0.00 C ATOM 951 C ARG A 60 5.266 9.595 -5.746 1.00 0.00 C ATOM 952 O ARG A 60 6.140 10.047 -6.483 1.00 0.00 O ATOM 953 CB ARG A 60 3.643 11.440 -5.218 1.00 0.00 C ATOM 954 CG ARG A 60 3.744 12.587 -6.209 1.00 0.00 C ATOM 955 CD ARG A 60 3.441 13.921 -5.555 1.00 0.00 C ATOM 956 NE ARG A 60 3.224 14.973 -6.547 1.00 0.00 N ATOM 957 CZ ARG A 60 3.909 16.115 -6.590 1.00 0.00 C ATOM 958 NH1 ARG A 60 4.904 16.332 -5.736 1.00 0.00 N ATOM 959 NH2 ARG A 60 3.608 17.032 -7.500 1.00 0.00 N ATOM 0 H ARG A 60 2.540 9.373 -4.365 1.00 0.00 H new ATOM 0 HA ARG A 60 3.584 10.162 -6.932 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.673 11.479 -4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.401 11.567 -4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.746 12.611 -6.637 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.049 12.419 -7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.556 13.825 -4.926 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.267 14.202 -4.902 1.00 0.00 H new ATOM 0 HE ARG A 60 2.502 14.823 -7.251 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.146 15.623 -5.044 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.426 17.208 -5.773 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.853 16.862 -8.165 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.131 17.907 -7.535 1.00 0.00 H new ATOM 973 N ARG A 61 5.508 8.679 -4.813 1.00 0.00 N ATOM 974 CA ARG A 61 6.805 8.022 -4.695 1.00 0.00 C ATOM 975 C ARG A 61 7.130 7.322 -6.006 1.00 0.00 C ATOM 976 O ARG A 61 8.248 7.406 -6.517 1.00 0.00 O ATOM 977 CB ARG A 61 6.790 7.001 -3.546 1.00 0.00 C ATOM 978 CG ARG A 61 8.075 6.194 -3.401 1.00 0.00 C ATOM 979 CD ARG A 61 9.150 6.961 -2.651 1.00 0.00 C ATOM 980 NE ARG A 61 9.428 8.248 -3.272 1.00 0.00 N ATOM 981 CZ ARG A 61 9.558 9.388 -2.597 1.00 0.00 C ATOM 982 NH1 ARG A 61 9.557 9.381 -1.269 1.00 0.00 N ATOM 983 NH2 ARG A 61 9.693 10.537 -3.246 1.00 0.00 N ATOM 0 H ARG A 61 4.819 8.374 -4.125 1.00 0.00 H new ATOM 0 HA ARG A 61 7.567 8.771 -4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.599 7.528 -2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.959 6.313 -3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.861 5.263 -2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.446 5.924 -4.390 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.834 7.116 -1.620 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.064 6.368 -2.618 1.00 0.00 H new ATOM 0 HE ARG A 61 9.529 8.278 -4.287 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.456 8.501 -0.764 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.657 10.256 -0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.697 10.549 -4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.792 11.408 -2.725 1.00 0.00 H new ATOM 997 N PHE A 62 6.129 6.648 -6.553 1.00 0.00 N ATOM 998 CA PHE A 62 6.279 5.972 -7.833 1.00 0.00 C ATOM 999 C PHE A 62 6.210 6.956 -8.996 1.00 0.00 C ATOM 1000 O PHE A 62 6.661 6.648 -10.101 1.00 0.00 O ATOM 1001 CB PHE A 62 5.219 4.888 -7.990 1.00 0.00 C ATOM 1002 CG PHE A 62 5.392 3.760 -7.019 1.00 0.00 C ATOM 1003 CD1 PHE A 62 6.293 2.744 -7.281 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.668 3.724 -5.841 1.00 0.00 C ATOM 1005 CE1 PHE A 62 6.467 1.710 -6.386 1.00 0.00 C ATOM 1006 CE2 PHE A 62 4.839 2.692 -4.941 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.738 1.683 -5.213 1.00 0.00 C ATOM 0 H PHE A 62 5.205 6.555 -6.131 1.00 0.00 H new ATOM 0 HA PHE A 62 7.264 5.506 -7.849 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.232 5.330 -7.854 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.256 4.495 -9.006 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.866 2.761 -8.196 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.962 4.512 -5.623 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.173 0.922 -6.602 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.269 2.675 -4.024 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.872 0.873 -4.511 1.00 0.00 H new ATOM 1017 N GLU A 63 5.657 8.137 -8.750 1.00 0.00 N ATOM 1018 CA GLU A 63 5.601 9.173 -9.773 1.00 0.00 C ATOM 1019 C GLU A 63 7.005 9.706 -10.044 1.00 0.00 C ATOM 1020 O GLU A 63 7.373 9.947 -11.193 1.00 0.00 O ATOM 1021 CB GLU A 63 4.657 10.307 -9.356 1.00 0.00 C ATOM 1022 CG GLU A 63 4.445 11.349 -10.445 1.00 0.00 C ATOM 1023 CD GLU A 63 3.363 12.353 -10.102 1.00 0.00 C ATOM 1024 OE1 GLU A 63 3.673 13.382 -9.472 1.00 0.00 O ATOM 1025 OE2 GLU A 63 2.194 12.127 -10.480 1.00 0.00 O ATOM 0 H GLU A 63 5.243 8.400 -7.856 1.00 0.00 H new ATOM 0 HA GLU A 63 5.206 8.738 -10.691 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.693 9.883 -9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.059 10.796 -8.469 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.381 11.878 -10.621 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.184 10.846 -11.376 1.00 0.00 H new ATOM 1032 N ASP A 64 7.798 9.852 -8.979 1.00 0.00 N ATOM 1033 CA ASP A 64 9.208 10.231 -9.119 1.00 0.00 C ATOM 1034 C ASP A 64 9.940 9.225 -9.995 1.00 0.00 C ATOM 1035 O ASP A 64 10.845 9.578 -10.751 1.00 0.00 O ATOM 1036 CB ASP A 64 9.917 10.290 -7.759 1.00 0.00 C ATOM 1037 CG ASP A 64 9.601 11.533 -6.955 1.00 0.00 C ATOM 1038 OD1 ASP A 64 9.528 12.634 -7.547 1.00 0.00 O ATOM 1039 OD2 ASP A 64 9.470 11.422 -5.718 1.00 0.00 O ATOM 0 H ASP A 64 7.491 9.715 -8.016 1.00 0.00 H new ATOM 0 HA ASP A 64 9.229 11.221 -9.575 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.638 9.412 -7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.994 10.237 -7.919 1.00 0.00 H new ATOM 1044 N ARG A 65 9.532 7.967 -9.889 1.00 0.00 N ATOM 1045 CA ARG A 65 10.186 6.880 -10.608 1.00 0.00 C ATOM 1046 C ARG A 65 9.611 6.727 -12.012 1.00 0.00 C ATOM 1047 O ARG A 65 10.053 5.875 -12.784 1.00 0.00 O ATOM 1048 CB ARG A 65 10.030 5.572 -9.830 1.00 0.00 C ATOM 1049 CG ARG A 65 10.548 5.660 -8.405 1.00 0.00 C ATOM 1050 CD ARG A 65 10.381 4.351 -7.649 1.00 0.00 C ATOM 1051 NE ARG A 65 11.129 3.246 -8.257 1.00 0.00 N ATOM 1052 CZ ARG A 65 12.462 3.138 -8.241 1.00 0.00 C ATOM 1053 NH1 ARG A 65 13.211 4.109 -7.727 1.00 0.00 N ATOM 1054 NH2 ARG A 65 13.048 2.060 -8.745 1.00 0.00 N ATOM 0 H ARG A 65 8.747 7.673 -9.309 1.00 0.00 H new ATOM 0 HA ARG A 65 11.245 7.120 -10.700 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.977 5.291 -9.811 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.562 4.778 -10.355 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.602 5.936 -8.420 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.018 6.453 -7.876 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.713 4.486 -6.620 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.323 4.091 -7.611 1.00 0.00 H new ATOM 0 HE ARG A 65 10.597 2.511 -8.723 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.770 4.944 -7.341 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.227 4.019 -7.718 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.482 1.312 -9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.065 1.979 -8.732 1.00 0.00 H new ATOM 1068 N GLY A 66 8.629 7.562 -12.337 1.00 0.00 N ATOM 1069 CA GLY A 66 7.990 7.495 -13.634 1.00 0.00 C ATOM 1070 C GLY A 66 7.251 6.191 -13.837 1.00 0.00 C ATOM 1071 O GLY A 66 7.306 5.599 -14.914 1.00 0.00 O ATOM 0 H GLY A 66 8.264 8.287 -11.719 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.293 8.326 -13.738 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.742 7.610 -14.415 1.00 0.00 H new ATOM 1075 N ALA A 67 6.573 5.732 -12.795 1.00 0.00 N ATOM 1076 CA ALA A 67 5.819 4.496 -12.867 1.00 0.00 C ATOM 1077 C ALA A 67 4.386 4.705 -12.401 1.00 0.00 C ATOM 1078 O ALA A 67 4.079 4.551 -11.220 1.00 0.00 O ATOM 1079 CB ALA A 67 6.492 3.411 -12.040 1.00 0.00 C ATOM 0 H ALA A 67 6.532 6.200 -11.890 1.00 0.00 H new ATOM 0 HA ALA A 67 5.795 4.176 -13.909 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.912 2.491 -12.106 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.498 3.234 -12.421 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.549 3.730 -10.999 1.00 0.00 H new ATOM 1085 N MET A 68 3.511 5.063 -13.332 1.00 0.00 N ATOM 1086 CA MET A 68 2.104 5.270 -13.010 1.00 0.00 C ATOM 1087 C MET A 68 1.425 3.933 -12.773 1.00 0.00 C ATOM 1088 O MET A 68 0.532 3.814 -11.936 1.00 0.00 O ATOM 1089 CB MET A 68 1.391 6.033 -14.129 1.00 0.00 C ATOM 1090 CG MET A 68 1.796 7.499 -14.254 1.00 0.00 C ATOM 1091 SD MET A 68 1.202 8.531 -12.891 1.00 0.00 S ATOM 1092 CE MET A 68 2.356 8.117 -11.582 1.00 0.00 C ATOM 0 H MET A 68 3.749 5.216 -14.312 1.00 0.00 H new ATOM 0 HA MET A 68 2.045 5.869 -12.101 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.590 5.532 -15.077 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.316 5.980 -13.960 1.00 0.00 H new ATOM 0 HG2 MET A 68 2.883 7.565 -14.302 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.411 7.895 -15.194 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.645 9.024 -11.051 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.883 7.424 -10.886 1.00 0.00 H new ATOM 0 HE3 MET A 68 3.242 7.651 -12.012 1.00 0.00 H new ATOM 1102 N GLU A 69 1.874 2.925 -13.510 1.00 0.00 N ATOM 1103 CA GLU A 69 1.367 1.570 -13.352 1.00 0.00 C ATOM 1104 C GLU A 69 1.623 1.075 -11.934 1.00 0.00 C ATOM 1105 O GLU A 69 0.714 0.604 -11.251 1.00 0.00 O ATOM 1106 CB GLU A 69 2.044 0.638 -14.354 1.00 0.00 C ATOM 1107 CG GLU A 69 1.921 1.096 -15.794 1.00 0.00 C ATOM 1108 CD GLU A 69 2.716 0.224 -16.738 1.00 0.00 C ATOM 1109 OE1 GLU A 69 3.910 0.517 -16.958 1.00 0.00 O ATOM 1110 OE2 GLU A 69 2.159 -0.765 -17.249 1.00 0.00 O ATOM 0 H GLU A 69 2.593 3.023 -14.227 1.00 0.00 H new ATOM 0 HA GLU A 69 0.293 1.575 -13.538 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.100 0.551 -14.099 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.610 -0.358 -14.261 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.872 1.086 -16.089 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.265 2.127 -15.877 1.00 0.00 H new ATOM 1117 N ARG A 70 2.867 1.211 -11.488 1.00 0.00 N ATOM 1118 CA ARG A 70 3.252 0.771 -10.153 1.00 0.00 C ATOM 1119 C ARG A 70 2.606 1.652 -9.091 1.00 0.00 C ATOM 1120 O ARG A 70 2.379 1.210 -7.966 1.00 0.00 O ATOM 1121 CB ARG A 70 4.775 0.781 -9.992 1.00 0.00 C ATOM 1122 CG ARG A 70 5.504 -0.118 -10.979 1.00 0.00 C ATOM 1123 CD ARG A 70 6.995 -0.182 -10.678 1.00 0.00 C ATOM 1124 NE ARG A 70 7.728 -0.948 -11.687 1.00 0.00 N ATOM 1125 CZ ARG A 70 8.880 -1.578 -11.461 1.00 0.00 C ATOM 1126 NH1 ARG A 70 9.437 -1.550 -10.257 1.00 0.00 N ATOM 1127 NH2 ARG A 70 9.477 -2.242 -12.443 1.00 0.00 N ATOM 0 H ARG A 70 3.626 1.622 -12.032 1.00 0.00 H new ATOM 0 HA ARG A 70 2.899 -0.252 -10.022 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.137 1.802 -10.110 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.026 0.470 -8.978 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.080 -1.122 -10.940 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.352 0.253 -11.992 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.398 0.830 -10.628 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.148 -0.635 -9.698 1.00 0.00 H new ATOM 0 HE ARG A 70 7.331 -1.003 -12.625 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.983 -1.044 -9.497 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.319 -2.035 -10.092 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.054 -2.270 -13.371 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.359 -2.724 -12.270 1.00 0.00 H new ATOM 1141 N ALA A 71 2.305 2.894 -9.457 1.00 0.00 N ATOM 1142 CA ALA A 71 1.612 3.808 -8.559 1.00 0.00 C ATOM 1143 C ALA A 71 0.172 3.352 -8.352 1.00 0.00 C ATOM 1144 O ALA A 71 -0.351 3.381 -7.236 1.00 0.00 O ATOM 1145 CB ALA A 71 1.646 5.226 -9.106 1.00 0.00 C ATOM 0 H ALA A 71 2.531 3.290 -10.370 1.00 0.00 H new ATOM 0 HA ALA A 71 2.123 3.801 -7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.123 5.893 -8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.681 5.551 -9.210 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.158 5.252 -10.080 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.460 2.918 -9.437 1.00 0.00 N ATOM 1152 CA ASN A 72 -1.802 2.354 -9.365 1.00 0.00 C ATOM 1153 C ASN A 72 -1.789 1.072 -8.543 1.00 0.00 C ATOM 1154 O ASN A 72 -2.671 0.848 -7.710 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.361 2.072 -10.763 1.00 0.00 C ATOM 1156 CG ASN A 72 -2.826 3.328 -11.473 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -3.261 4.292 -10.839 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -2.754 3.324 -12.794 1.00 0.00 N ATOM 0 H ASN A 72 -0.064 2.946 -10.377 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.449 3.086 -8.881 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.595 1.583 -11.364 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.196 1.375 -10.682 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.065 4.138 -13.324 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.388 2.507 -13.282 1.00 0.00 H new ATOM 1165 N LYS A 73 -0.776 0.238 -8.773 1.00 0.00 N ATOM 1166 CA LYS A 73 -0.605 -0.986 -7.997 1.00 0.00 C ATOM 1167 C LYS A 73 -0.328 -0.662 -6.532 1.00 0.00 C ATOM 1168 O LYS A 73 -0.724 -1.410 -5.642 1.00 0.00 O ATOM 1169 CB LYS A 73 0.520 -1.865 -8.559 1.00 0.00 C ATOM 1170 CG LYS A 73 0.045 -2.921 -9.552 1.00 0.00 C ATOM 1171 CD LYS A 73 -0.219 -2.341 -10.932 1.00 0.00 C ATOM 1172 CE LYS A 73 -0.832 -3.375 -11.868 1.00 0.00 C ATOM 1173 NZ LYS A 73 -0.062 -4.651 -11.888 1.00 0.00 N ATOM 0 H LYS A 73 -0.064 0.388 -9.488 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.538 -1.545 -8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.256 -1.227 -9.048 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.027 -2.361 -7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.796 -3.707 -9.629 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.866 -3.386 -9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.889 -1.486 -10.845 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.715 -1.973 -11.357 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.858 -3.578 -11.559 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.878 -2.966 -12.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.413 -5.257 -12.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.946 -4.446 -12.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.180 -5.142 -10.979 1.00 0.00 H new ATOM 1187 N ALA A 74 0.367 0.445 -6.283 1.00 0.00 N ATOM 1188 CA ALA A 74 0.603 0.906 -4.919 1.00 0.00 C ATOM 1189 C ALA A 74 -0.718 1.191 -4.223 1.00 0.00 C ATOM 1190 O ALA A 74 -0.985 0.655 -3.146 1.00 0.00 O ATOM 1191 CB ALA A 74 1.485 2.145 -4.905 1.00 0.00 C ATOM 0 H ALA A 74 0.775 1.037 -7.006 1.00 0.00 H new ATOM 0 HA ALA A 74 1.123 0.115 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.644 2.467 -3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.445 1.913 -5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.998 2.944 -5.464 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.542 2.021 -4.857 1.00 0.00 N ATOM 1198 CA ARG A 75 -2.872 2.338 -4.342 1.00 0.00 C ATOM 1199 C ARG A 75 -3.675 1.063 -4.094 1.00 0.00 C ATOM 1200 O ARG A 75 -4.284 0.894 -3.036 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.629 3.224 -5.334 1.00 0.00 C ATOM 1202 CG ARG A 75 -4.995 3.671 -4.831 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.932 4.020 -5.977 1.00 0.00 C ATOM 1204 NE ARG A 75 -5.430 5.112 -6.811 1.00 0.00 N ATOM 1205 CZ ARG A 75 -4.940 4.952 -8.044 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -4.836 3.740 -8.573 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -4.569 6.009 -8.755 1.00 0.00 N ATOM 0 H ARG A 75 -1.311 2.489 -5.733 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.748 2.870 -3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.026 4.105 -5.555 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.756 2.681 -6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.438 2.878 -4.228 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.877 4.538 -4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.084 3.137 -6.597 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.905 4.297 -5.572 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.456 6.056 -6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.131 2.923 -8.038 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.461 3.625 -9.515 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.658 6.946 -8.361 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.195 5.885 -9.696 1.00 0.00 H new ATOM 1221 N ARG A 76 -3.664 0.168 -5.080 1.00 0.00 N ATOM 1222 CA ARG A 76 -4.404 -1.087 -4.989 1.00 0.00 C ATOM 1223 C ARG A 76 -3.948 -1.917 -3.793 1.00 0.00 C ATOM 1224 O ARG A 76 -4.763 -2.319 -2.968 1.00 0.00 O ATOM 1225 CB ARG A 76 -4.237 -1.916 -6.265 1.00 0.00 C ATOM 1226 CG ARG A 76 -4.824 -3.310 -6.131 1.00 0.00 C ATOM 1227 CD ARG A 76 -4.476 -4.200 -7.307 1.00 0.00 C ATOM 1228 NE ARG A 76 -4.778 -5.594 -7.005 1.00 0.00 N ATOM 1229 CZ ARG A 76 -5.385 -6.432 -7.836 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -5.739 -6.036 -9.054 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -5.635 -7.672 -7.441 1.00 0.00 N ATOM 0 H ARG A 76 -3.149 0.290 -5.952 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.455 -0.828 -4.860 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.719 -1.400 -7.096 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.177 -1.993 -6.509 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.459 -3.768 -5.212 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.908 -3.238 -6.042 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.036 -3.884 -8.187 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.418 -4.096 -7.548 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.503 -5.951 -6.090 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.545 -5.082 -9.357 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.205 -6.687 -9.686 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.361 -7.974 -6.506 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.101 -8.324 -8.072 1.00 0.00 H new ATOM 1245 N ARG A 77 -2.645 -2.163 -3.707 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.087 -2.994 -2.647 1.00 0.00 C ATOM 1247 C ARG A 77 -2.404 -2.425 -1.274 1.00 0.00 C ATOM 1248 O ARG A 77 -2.711 -3.170 -0.347 1.00 0.00 O ATOM 1249 CB ARG A 77 -0.579 -3.145 -2.820 1.00 0.00 C ATOM 1250 CG ARG A 77 -0.192 -4.066 -3.964 1.00 0.00 C ATOM 1251 CD ARG A 77 1.296 -4.006 -4.238 1.00 0.00 C ATOM 1252 NE ARG A 77 1.706 -2.681 -4.696 1.00 0.00 N ATOM 1253 CZ ARG A 77 2.972 -2.279 -4.786 1.00 0.00 C ATOM 1254 NH1 ARG A 77 3.958 -3.088 -4.413 1.00 0.00 N ATOM 1255 NH2 ARG A 77 3.254 -1.064 -5.246 1.00 0.00 N ATOM 0 H ARG A 77 -1.954 -1.797 -4.361 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.550 -3.978 -2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.140 -2.162 -2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.151 -3.529 -1.894 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.479 -5.090 -3.723 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.741 -3.784 -4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.844 -4.264 -3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.558 -4.749 -4.991 1.00 0.00 H new ATOM 0 HE ARG A 77 0.976 -2.021 -4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.746 -4.020 -4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.927 -2.777 -4.483 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.500 -0.439 -5.530 1.00 0.00 H new ATOM 0 HH22 ARG A 77 4.224 -0.757 -5.314 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.342 -1.105 -1.147 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.716 -0.457 0.099 1.00 0.00 C ATOM 1271 C CYS A 78 -4.173 -0.768 0.422 1.00 0.00 C ATOM 1272 O CYS A 78 -4.489 -1.193 1.532 1.00 0.00 O ATOM 1273 CB CYS A 78 -2.498 1.054 0.008 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.789 1.526 -0.344 1.00 0.00 S ATOM 0 H CYS A 78 -2.039 -0.470 -1.885 1.00 0.00 H new ATOM 0 HA CYS A 78 -2.084 -0.841 0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -3.144 1.458 -0.771 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.806 1.513 0.948 1.00 0.00 H new ATOM 0 HG CYS A 78 -0.532 1.319 -1.601 1.00 0.00 H new ATOM 1280 N GLY A 79 -5.050 -0.585 -0.567 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.458 -0.907 -0.396 1.00 0.00 C ATOM 1282 C GLY A 79 -6.680 -2.366 -0.034 1.00 0.00 C ATOM 1283 O GLY A 79 -7.565 -2.681 0.764 1.00 0.00 O ATOM 0 H GLY A 79 -4.807 -0.218 -1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.880 -0.274 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.994 -0.679 -1.317 1.00 0.00 H new ATOM 1287 N GLU A 80 -5.882 -3.257 -0.622 1.00 0.00 N ATOM 1288 CA GLU A 80 -5.940 -4.676 -0.288 1.00 0.00 C ATOM 1289 C GLU A 80 -5.605 -4.892 1.183 1.00 0.00 C ATOM 1290 O GLU A 80 -6.348 -5.560 1.902 1.00 0.00 O ATOM 1291 CB GLU A 80 -4.983 -5.495 -1.161 1.00 0.00 C ATOM 1292 CG GLU A 80 -5.450 -5.676 -2.597 1.00 0.00 C ATOM 1293 CD GLU A 80 -4.604 -6.683 -3.357 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -4.241 -7.722 -2.765 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -4.304 -6.443 -4.545 1.00 0.00 O ATOM 0 H GLU A 80 -5.189 -3.019 -1.331 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.957 -5.017 -0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.008 -5.008 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.847 -6.477 -0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.490 -6.003 -2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.417 -4.715 -3.111 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.492 -4.313 1.625 1.00 0.00 N ATOM 1303 CA VAL A 81 -4.071 -4.424 3.018 1.00 0.00 C ATOM 1304 C VAL A 81 -5.123 -3.811 3.944 1.00 0.00 C ATOM 1305 O VAL A 81 -5.461 -4.391 4.979 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.704 -3.740 3.261 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.250 -3.932 4.698 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.652 -4.276 2.303 1.00 0.00 C ATOM 0 H VAL A 81 -3.865 -3.762 1.038 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.964 -5.486 3.240 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.829 -2.673 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.287 -3.442 4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.985 -3.495 5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.151 -4.997 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.700 -3.780 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.538 -5.350 2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.963 -4.083 1.276 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.644 -2.647 3.556 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.711 -1.992 4.311 1.00 0.00 C ATOM 1320 C PHE A 82 -7.906 -2.925 4.480 1.00 0.00 C ATOM 1321 O PHE A 82 -8.368 -3.159 5.595 1.00 0.00 O ATOM 1322 CB PHE A 82 -7.175 -0.704 3.618 1.00 0.00 C ATOM 1323 CG PHE A 82 -6.218 0.452 3.725 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -5.680 0.813 4.946 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -5.865 1.184 2.602 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -4.804 1.879 5.046 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -4.992 2.249 2.696 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.461 2.598 3.921 1.00 0.00 C ATOM 0 H PHE A 82 -5.344 -2.139 2.724 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.304 -1.740 5.290 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.347 -0.918 2.563 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.133 -0.405 4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.947 0.256 5.832 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.279 0.917 1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.389 2.148 6.006 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.725 2.809 1.812 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.779 3.432 3.998 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.387 -3.467 3.366 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.547 -4.351 3.378 1.00 0.00 C ATOM 1340 C ARG A 83 -9.257 -5.609 4.191 1.00 0.00 C ATOM 1341 O ARG A 83 -10.102 -6.069 4.959 1.00 0.00 O ATOM 1342 CB ARG A 83 -9.944 -4.723 1.947 1.00 0.00 C ATOM 1343 CG ARG A 83 -11.175 -5.610 1.864 1.00 0.00 C ATOM 1344 CD ARG A 83 -11.608 -5.830 0.422 1.00 0.00 C ATOM 1345 NE ARG A 83 -11.964 -4.573 -0.238 1.00 0.00 N ATOM 1346 CZ ARG A 83 -13.188 -4.284 -0.680 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -14.165 -5.176 -0.568 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -13.431 -3.111 -1.249 1.00 0.00 N ATOM 0 H ARG A 83 -7.990 -3.309 2.440 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.377 -3.823 3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.127 -3.809 1.381 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.108 -5.232 1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.964 -6.571 2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.991 -5.155 2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.802 -6.314 -0.129 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.462 -6.507 0.398 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.231 -3.876 -0.368 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.980 -6.085 -0.143 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.101 -4.953 -0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.680 -2.428 -1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.368 -2.892 -1.586 1.00 0.00 H new ATOM 1362 N TYR A 84 -8.054 -6.146 4.024 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.616 -7.318 4.772 1.00 0.00 C ATOM 1364 C TYR A 84 -7.698 -7.048 6.272 1.00 0.00 C ATOM 1365 O TYR A 84 -8.185 -7.879 7.040 1.00 0.00 O ATOM 1366 CB TYR A 84 -6.184 -7.682 4.366 1.00 0.00 C ATOM 1367 CG TYR A 84 -5.608 -8.886 5.081 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -6.114 -10.160 4.861 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -4.546 -8.745 5.967 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -5.579 -11.260 5.505 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -4.004 -9.840 6.612 1.00 0.00 C ATOM 1372 CZ TYR A 84 -4.525 -11.095 6.378 1.00 0.00 C ATOM 1373 OH TYR A 84 -3.985 -12.188 7.015 1.00 0.00 O ATOM 0 H TYR A 84 -7.359 -5.784 3.371 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.272 -8.158 4.541 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.162 -7.870 3.293 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.539 -6.823 4.553 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.938 -10.294 4.176 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.138 -7.763 6.154 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.985 -12.244 5.325 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.177 -9.714 7.295 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.642 -11.919 7.893 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.246 -5.867 6.674 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.278 -5.470 8.072 1.00 0.00 C ATOM 1385 C ALA A 85 -8.707 -5.237 8.548 1.00 0.00 C ATOM 1386 O ALA A 85 -9.026 -5.494 9.705 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.438 -4.229 8.292 1.00 0.00 C ATOM 0 H ALA A 85 -6.852 -5.166 6.047 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.857 -6.285 8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.474 -3.947 9.344 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.406 -4.433 8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.828 -3.413 7.684 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.564 -4.749 7.660 1.00 0.00 N ATOM 1394 CA ILE A 86 -10.968 -4.539 7.995 1.00 0.00 C ATOM 1395 C ILE A 86 -11.640 -5.866 8.342 1.00 0.00 C ATOM 1396 O ILE A 86 -12.347 -5.971 9.345 1.00 0.00 O ATOM 1397 CB ILE A 86 -11.739 -3.847 6.846 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.179 -2.442 6.603 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.230 -3.777 7.160 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -11.839 -1.710 5.454 1.00 0.00 C ATOM 0 H ILE A 86 -9.313 -4.492 6.705 1.00 0.00 H new ATOM 0 HA ILE A 86 -10.996 -3.880 8.863 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.609 -4.439 5.940 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.296 -1.852 7.512 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.109 -2.516 6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.752 -3.287 6.338 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.622 -4.786 7.289 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.382 -3.209 8.077 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.389 -0.723 5.345 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.699 -2.277 4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.905 -1.602 5.656 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.382 -6.883 7.528 1.00 0.00 N ATOM 1413 CA VAL A 87 -11.981 -8.199 7.729 1.00 0.00 C ATOM 1414 C VAL A 87 -11.517 -8.826 9.042 1.00 0.00 C ATOM 1415 O VAL A 87 -12.313 -9.413 9.773 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.652 -9.153 6.560 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -12.339 -10.499 6.743 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -12.053 -8.524 5.237 1.00 0.00 C ATOM 0 H VAL A 87 -10.761 -6.822 6.721 1.00 0.00 H new ATOM 0 HA VAL A 87 -13.060 -8.051 7.770 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.576 -9.324 6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.090 -11.151 5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -12.001 -10.957 7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.419 -10.354 6.782 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -11.815 -9.208 4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.124 -8.322 5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.508 -7.590 5.098 1.00 0.00 H new ATOM 1428 N THR A 88 -10.233 -8.682 9.348 1.00 0.00 N ATOM 1429 CA THR A 88 -9.671 -9.257 10.566 1.00 0.00 C ATOM 1430 C THR A 88 -9.956 -8.367 11.787 1.00 0.00 C ATOM 1431 O THR A 88 -9.726 -8.767 12.930 1.00 0.00 O ATOM 1432 CB THR A 88 -8.148 -9.506 10.414 1.00 0.00 C ATOM 1433 OG1 THR A 88 -7.592 -10.054 11.619 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.418 -8.226 10.057 1.00 0.00 C ATOM 0 H THR A 88 -9.562 -8.174 8.772 1.00 0.00 H new ATOM 0 HA THR A 88 -10.158 -10.218 10.730 1.00 0.00 H new ATOM 0 HB THR A 88 -8.017 -10.224 9.605 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.190 -9.863 12.372 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.352 -8.431 9.957 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.803 -7.838 9.114 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.573 -7.487 10.843 1.00 0.00 H new ATOM 1442 N GLY A 89 -10.467 -7.165 11.541 1.00 0.00 N ATOM 1443 CA GLY A 89 -10.863 -6.289 12.634 1.00 0.00 C ATOM 1444 C GLY A 89 -9.728 -5.425 13.158 1.00 0.00 C ATOM 1445 O GLY A 89 -9.754 -4.987 14.310 1.00 0.00 O ATOM 0 H GLY A 89 -10.615 -6.781 10.608 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.675 -5.644 12.297 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.255 -6.895 13.451 1.00 0.00 H new ATOM 1449 N ARG A 90 -8.734 -5.173 12.319 1.00 0.00 N ATOM 1450 CA ARG A 90 -7.616 -4.313 12.697 1.00 0.00 C ATOM 1451 C ARG A 90 -7.781 -2.939 12.058 1.00 0.00 C ATOM 1452 O ARG A 90 -7.012 -2.016 12.316 1.00 0.00 O ATOM 1453 CB ARG A 90 -6.286 -4.947 12.279 1.00 0.00 C ATOM 1454 CG ARG A 90 -6.112 -6.366 12.795 1.00 0.00 C ATOM 1455 CD ARG A 90 -4.824 -6.998 12.297 1.00 0.00 C ATOM 1456 NE ARG A 90 -4.966 -8.445 12.143 1.00 0.00 N ATOM 1457 CZ ARG A 90 -4.036 -9.243 11.619 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -2.835 -8.771 11.311 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -4.305 -10.526 11.419 1.00 0.00 N ATOM 0 H ARG A 90 -8.676 -5.550 11.373 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.610 -4.197 13.781 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.219 -4.952 11.191 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.466 -4.330 12.646 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.114 -6.358 13.885 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.960 -6.973 12.479 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.545 -6.554 11.341 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.017 -6.782 12.997 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.837 -8.873 12.458 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.616 -7.788 11.475 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.131 -9.391 10.910 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.221 -10.899 11.666 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.595 -11.139 11.018 1.00 0.00 H new ATOM 1473 N ALA A 91 -8.798 -2.828 11.216 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.169 -1.571 10.587 1.00 0.00 C ATOM 1475 C ALA A 91 -10.666 -1.578 10.326 1.00 0.00 C ATOM 1476 O ALA A 91 -11.294 -2.638 10.381 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.397 -1.363 9.290 1.00 0.00 C ATOM 0 H ALA A 91 -9.392 -3.613 10.949 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.917 -0.745 11.252 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.692 -0.416 8.839 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.328 -1.346 9.502 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.618 -2.178 8.601 1.00 0.00 H new ATOM 1483 N LYS A 92 -11.247 -0.416 10.062 1.00 0.00 N ATOM 1484 CA LYS A 92 -12.686 -0.328 9.837 1.00 0.00 C ATOM 1485 C LYS A 92 -12.997 0.571 8.644 1.00 0.00 C ATOM 1486 O LYS A 92 -13.813 0.225 7.792 1.00 0.00 O ATOM 1487 CB LYS A 92 -13.396 0.173 11.101 1.00 0.00 C ATOM 1488 CG LYS A 92 -13.099 -0.686 12.322 1.00 0.00 C ATOM 1489 CD LYS A 92 -13.877 -0.249 13.549 1.00 0.00 C ATOM 1490 CE LYS A 92 -13.492 -1.084 14.763 1.00 0.00 C ATOM 1491 NZ LYS A 92 -13.762 -2.535 14.558 1.00 0.00 N ATOM 0 H LYS A 92 -10.751 0.473 9.998 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.059 -1.326 9.608 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -13.090 1.200 11.301 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -14.472 0.189 10.926 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -13.338 -1.725 12.097 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.032 -0.644 12.540 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -13.683 0.804 13.751 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -14.946 -0.346 13.360 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -12.433 -0.940 14.979 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -14.046 -0.733 15.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -13.680 -3.035 15.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -14.723 -2.659 14.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -13.072 -2.925 13.884 1.00 0.00 H new ATOM 1505 N TYR A 93 -12.347 1.722 8.587 1.00 0.00 N ATOM 1506 CA TYR A 93 -12.485 2.617 7.446 1.00 0.00 C ATOM 1507 C TYR A 93 -11.142 2.788 6.753 1.00 0.00 C ATOM 1508 O TYR A 93 -10.140 3.100 7.396 1.00 0.00 O ATOM 1509 CB TYR A 93 -13.035 3.978 7.890 1.00 0.00 C ATOM 1510 CG TYR A 93 -13.079 5.015 6.784 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -14.035 4.952 5.776 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -12.160 6.057 6.751 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -14.071 5.897 4.768 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -12.192 7.006 5.748 1.00 0.00 C ATOM 1515 CZ TYR A 93 -13.148 6.922 4.758 1.00 0.00 C ATOM 1516 OH TYR A 93 -13.178 7.867 3.758 1.00 0.00 O ATOM 0 H TYR A 93 -11.719 2.060 9.316 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.191 2.177 6.742 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.041 3.840 8.286 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.421 4.358 8.706 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.761 4.152 5.781 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.408 6.126 7.523 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.819 5.833 3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.471 7.810 5.739 1.00 0.00 H new ATOM 0 HH TYR A 93 -12.319 8.337 3.726 1.00 0.00 H new ATOM 1526 N ASN A 94 -11.119 2.566 5.446 1.00 0.00 N ATOM 1527 CA ASN A 94 -9.895 2.725 4.677 1.00 0.00 C ATOM 1528 C ASN A 94 -9.881 4.060 3.937 1.00 0.00 C ATOM 1529 O ASN A 94 -10.878 4.456 3.332 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.671 1.542 3.710 1.00 0.00 C ATOM 1531 CG ASN A 94 -10.861 1.172 2.822 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -11.077 -0.004 2.536 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -11.616 2.149 2.349 1.00 0.00 N ATOM 0 H ASN A 94 -11.930 2.277 4.899 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.063 2.726 5.381 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.822 1.778 3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.393 0.666 4.296 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.399 1.935 1.731 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -11.415 3.117 2.602 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.750 4.780 3.993 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.590 6.089 3.344 1.00 0.00 C ATOM 1542 C PRO A 95 -8.422 5.985 1.825 1.00 0.00 C ATOM 1543 O PRO A 95 -7.684 6.759 1.218 1.00 0.00 O ATOM 1544 CB PRO A 95 -7.307 6.659 3.979 1.00 0.00 C ATOM 1545 CG PRO A 95 -6.945 5.723 5.086 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.537 4.395 4.721 1.00 0.00 C ATOM 0 HA PRO A 95 -9.472 6.712 3.490 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.504 6.724 3.245 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.474 7.667 4.359 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.863 5.650 5.196 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -7.339 6.076 6.039 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -6.861 3.806 4.101 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.765 3.796 5.603 1.00 0.00 H new ATOM 1554 N ALA A 96 -9.127 5.043 1.215 1.00 0.00 N ATOM 1555 CA ALA A 96 -9.067 4.856 -0.231 1.00 0.00 C ATOM 1556 C ALA A 96 -9.718 6.031 -0.976 1.00 0.00 C ATOM 1557 O ALA A 96 -9.116 6.581 -1.898 1.00 0.00 O ATOM 1558 CB ALA A 96 -9.700 3.529 -0.631 1.00 0.00 C ATOM 0 H ALA A 96 -9.749 4.394 1.698 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.017 4.830 -0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.644 3.411 -1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.165 2.711 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.744 3.515 -0.318 1.00 0.00 H new ATOM 1564 N PRO A 97 -10.954 6.446 -0.604 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.579 7.634 -1.195 1.00 0.00 C ATOM 1566 C PRO A 97 -10.828 8.910 -0.824 1.00 0.00 C ATOM 1567 O PRO A 97 -10.810 9.881 -1.585 1.00 0.00 O ATOM 1568 CB PRO A 97 -12.990 7.647 -0.598 1.00 0.00 C ATOM 1569 CG PRO A 97 -12.888 6.840 0.647 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.846 5.796 0.379 1.00 0.00 C ATOM 0 HA PRO A 97 -11.576 7.598 -2.284 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.319 8.664 -0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.715 7.217 -1.289 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.606 7.464 1.495 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.845 6.381 0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.310 5.521 1.287 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.286 4.882 -0.021 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.204 8.895 0.348 1.00 0.00 N ATOM 1579 CA ASP A 98 -9.399 10.018 0.815 1.00 0.00 C ATOM 1580 C ASP A 98 -8.166 10.168 -0.058 1.00 0.00 C ATOM 1581 O ASP A 98 -7.758 11.279 -0.387 1.00 0.00 O ATOM 1582 CB ASP A 98 -8.982 9.810 2.272 1.00 0.00 C ATOM 1583 CG ASP A 98 -10.167 9.612 3.190 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -10.732 8.496 3.195 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -10.543 10.568 3.899 1.00 0.00 O ATOM 0 H ASP A 98 -10.241 8.110 0.998 1.00 0.00 H new ATOM 0 HA ASP A 98 -9.998 10.926 0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.326 8.942 2.339 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.406 10.672 2.608 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.581 9.034 -0.426 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.455 8.995 -1.351 1.00 0.00 C ATOM 1592 C LEU A 99 -6.820 9.721 -2.643 1.00 0.00 C ATOM 1593 O LEU A 99 -6.054 10.545 -3.145 1.00 0.00 O ATOM 1594 CB LEU A 99 -6.073 7.525 -1.621 1.00 0.00 C ATOM 1595 CG LEU A 99 -4.860 7.264 -2.535 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -5.229 7.399 -4.005 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.714 8.197 -2.190 1.00 0.00 C ATOM 0 H LEU A 99 -7.874 8.116 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.594 9.502 -0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.881 7.045 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.938 7.027 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.537 6.237 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.349 7.208 -4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.008 6.678 -4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.594 8.408 -4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.869 7.994 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.035 9.231 -2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.414 8.037 -1.154 1.00 0.00 H new ATOM 1609 N ALA A 100 -8.007 9.425 -3.158 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.476 10.024 -4.398 1.00 0.00 C ATOM 1611 C ALA A 100 -8.676 11.529 -4.249 1.00 0.00 C ATOM 1612 O ALA A 100 -8.282 12.299 -5.121 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.766 9.357 -4.850 1.00 0.00 C ATOM 0 H ALA A 100 -8.664 8.771 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.711 9.865 -5.158 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.106 9.815 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.588 8.294 -5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.529 9.484 -4.082 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.271 11.950 -3.136 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.547 13.369 -2.920 1.00 0.00 C ATOM 1621 C ASP A 101 -8.255 14.135 -2.662 1.00 0.00 C ATOM 1622 O ASP A 101 -8.091 15.271 -3.115 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.518 13.574 -1.756 1.00 0.00 C ATOM 1624 CG ASP A 101 -11.050 14.995 -1.695 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -11.890 15.352 -2.552 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -10.640 15.761 -0.795 1.00 0.00 O ATOM 0 H ASP A 101 -9.569 11.337 -2.377 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.012 13.756 -3.826 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.352 12.880 -1.855 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.014 13.336 -0.819 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.336 13.500 -1.944 1.00 0.00 N ATOM 1632 CA ALA A 102 -6.029 14.086 -1.682 1.00 0.00 C ATOM 1633 C ALA A 102 -5.255 14.253 -2.982 1.00 0.00 C ATOM 1634 O ALA A 102 -4.615 15.277 -3.202 1.00 0.00 O ATOM 1635 CB ALA A 102 -5.243 13.227 -0.701 1.00 0.00 C ATOM 0 H ALA A 102 -7.473 12.577 -1.532 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.175 15.069 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.269 13.682 -0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -5.791 13.153 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.105 12.230 -1.120 1.00 0.00 H new ATOM 1641 N MET A 103 -5.332 13.240 -3.841 1.00 0.00 N ATOM 1642 CA MET A 103 -4.698 13.286 -5.154 1.00 0.00 C ATOM 1643 C MET A 103 -5.242 14.460 -5.969 1.00 0.00 C ATOM 1644 O MET A 103 -4.502 15.119 -6.697 1.00 0.00 O ATOM 1645 CB MET A 103 -4.933 11.963 -5.896 1.00 0.00 C ATOM 1646 CG MET A 103 -4.209 11.859 -7.231 1.00 0.00 C ATOM 1647 SD MET A 103 -4.549 10.311 -8.097 1.00 0.00 S ATOM 1648 CE MET A 103 -3.675 9.142 -7.059 1.00 0.00 C ATOM 0 H MET A 103 -5.831 12.372 -3.648 1.00 0.00 H new ATOM 0 HA MET A 103 -3.626 13.429 -5.022 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.614 11.140 -5.257 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.003 11.839 -6.065 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.503 12.696 -7.864 1.00 0.00 H new ATOM 0 HG3 MET A 103 -3.136 11.948 -7.064 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.207 8.380 -7.683 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.908 9.665 -6.488 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.377 8.668 -6.373 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.537 14.718 -5.824 1.00 0.00 N ATOM 1659 CA LYS A 104 -7.186 15.842 -6.493 1.00 0.00 C ATOM 1660 C LYS A 104 -6.667 17.171 -5.959 1.00 0.00 C ATOM 1661 O LYS A 104 -6.164 18.009 -6.711 1.00 0.00 O ATOM 1662 CB LYS A 104 -8.701 15.774 -6.291 1.00 0.00 C ATOM 1663 CG LYS A 104 -9.366 14.587 -6.962 1.00 0.00 C ATOM 1664 CD LYS A 104 -10.792 14.408 -6.472 1.00 0.00 C ATOM 1665 CE LYS A 104 -11.518 13.317 -7.242 1.00 0.00 C ATOM 1666 NZ LYS A 104 -11.715 13.683 -8.669 1.00 0.00 N ATOM 0 H LYS A 104 -7.163 14.159 -5.244 1.00 0.00 H new ATOM 0 HA LYS A 104 -6.954 15.776 -7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.912 15.738 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.149 16.691 -6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.365 14.729 -8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.793 13.683 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.784 14.160 -5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.333 15.348 -6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.949 12.389 -7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.486 13.129 -6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.433 13.060 -9.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.033 14.671 -8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.817 13.574 -9.182 1.00 0.00 H new