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 27 HIS : no HD1:sc= -0.294 X(o=-0.17,f=0) USER MOD Set 1.2: A 57 TYR OH : rot 99:sc= 0.12 USER MOD Set 2.1: A 48 THR OG1 : rot 126:sc= -0.263 USER MOD Set 2.2: A 50 THR OG1 : rot 180:sc= 0.00363 USER MOD Single : A 8 MET CE :methyl 157:sc= -1.33 (180deg=-2.11!) USER MOD Single : A 12 TYR OH : rot 180:sc= -2.77! USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= -0.0742 (180deg=-0.814) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0458 X(o=-0.046,f=-0.046) USER MOD Single : A 26 MET CE :methyl -163:sc=-0.00971 (180deg=-0.233) USER MOD Single : A 28 CYS SG : rot 24:sc= -4.73! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.8!) USER MOD Single : A 37 GLN : amide:sc= -0.074 K(o=-0.074,f=-1.6!) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 46 MET CE :methyl -146:sc= -1.52 (180deg=-3.51!) USER MOD Single : A 66 ASN : amide:sc= -4 K(o=-4,f=-13!) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= -0.126 (180deg=-0.631) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 -7.999 2.121 -10.556 1.00 0.00 N ATOM 67 CA MET A 8 -7.158 1.848 -9.397 1.00 0.00 C ATOM 68 C MET A 8 -7.998 1.379 -8.213 1.00 0.00 C ATOM 69 O MET A 8 -7.964 0.205 -7.842 1.00 0.00 O ATOM 70 CB MET A 8 -6.364 3.098 -9.010 1.00 0.00 C ATOM 71 CG MET A 8 -4.983 3.160 -9.641 1.00 0.00 C ATOM 72 SD MET A 8 -4.396 4.850 -9.865 1.00 0.00 S ATOM 73 CE MET A 8 -3.644 5.161 -8.269 1.00 0.00 C ATOM 0 HA MET A 8 -6.463 1.052 -9.664 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.929 3.983 -9.304 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.261 3.132 -7.925 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.277 2.614 -9.015 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.007 2.657 -10.608 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.904 5.955 -8.364 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.412 5.464 -7.558 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.158 4.253 -7.913 1.00 0.00 H new ATOM 83 N ILE A 9 -8.751 2.303 -7.624 1.00 0.00 N ATOM 84 CA ILE A 9 -9.600 1.982 -6.484 1.00 0.00 C ATOM 85 C ILE A 9 -10.537 0.823 -6.805 1.00 0.00 C ATOM 86 O ILE A 9 -10.705 -0.094 -6.001 1.00 0.00 O ATOM 87 CB ILE A 9 -10.436 3.198 -6.046 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.521 4.356 -5.642 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.359 2.820 -4.897 1.00 0.00 C ATOM 90 CD1 ILE A 9 -9.059 5.197 -6.811 1.00 0.00 C ATOM 0 H ILE A 9 -8.790 3.279 -7.918 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.937 1.694 -5.668 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.048 3.521 -6.888 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.047 4.994 -4.932 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.649 3.956 -5.125 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.944 3.690 -4.598 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.031 2.024 -5.217 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.764 2.475 -4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.414 5.999 -6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.504 4.573 -7.512 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.925 5.627 -7.315 1.00 0.00 H new ATOM 102 N ALA A 10 -11.145 0.870 -7.986 1.00 0.00 N ATOM 103 CA ALA A 10 -12.062 -0.177 -8.415 1.00 0.00 C ATOM 104 C ALA A 10 -11.385 -1.544 -8.392 1.00 0.00 C ATOM 105 O ALA A 10 -11.920 -2.502 -7.836 1.00 0.00 O ATOM 106 CB ALA A 10 -12.595 0.126 -9.808 1.00 0.00 C ATOM 0 H ALA A 10 -11.018 1.623 -8.662 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.897 -0.202 -7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.279 -0.665 -10.116 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.124 1.079 -9.796 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.764 0.181 -10.511 1.00 0.00 H new ATOM 112 N ALA A 11 -10.206 -1.625 -8.999 1.00 0.00 N ATOM 113 CA ALA A 11 -9.456 -2.874 -9.047 1.00 0.00 C ATOM 114 C ALA A 11 -9.067 -3.334 -7.646 1.00 0.00 C ATOM 115 O ALA A 11 -9.439 -4.426 -7.215 1.00 0.00 O ATOM 116 CB ALA A 11 -8.216 -2.712 -9.914 1.00 0.00 C ATOM 0 H ALA A 11 -9.749 -0.841 -9.464 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.097 -3.638 -9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.665 -3.652 -9.941 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.513 -2.436 -10.926 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.580 -1.931 -9.497 1.00 0.00 H new ATOM 122 N TYR A 12 -8.316 -2.496 -6.940 1.00 0.00 N ATOM 123 CA TYR A 12 -7.875 -2.818 -5.589 1.00 0.00 C ATOM 124 C TYR A 12 -9.037 -3.329 -4.742 1.00 0.00 C ATOM 125 O TYR A 12 -8.941 -4.378 -4.106 1.00 0.00 O ATOM 126 CB TYR A 12 -7.249 -1.589 -4.927 1.00 0.00 C ATOM 127 CG TYR A 12 -5.921 -1.188 -5.528 1.00 0.00 C ATOM 128 CD1 TYR A 12 -4.852 -2.076 -5.556 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.735 0.078 -6.069 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.637 -1.713 -6.103 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.523 0.448 -6.620 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.477 -0.450 -6.634 1.00 0.00 C ATOM 133 OH TYR A 12 -2.268 -0.086 -7.182 1.00 0.00 O ATOM 0 H TYR A 12 -8.000 -1.588 -7.282 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.126 -3.607 -5.658 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.942 -0.751 -5.006 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.112 -1.789 -3.864 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.974 -3.066 -5.143 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.551 0.785 -6.059 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.816 -2.415 -6.115 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.396 1.436 -7.038 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.323 0.835 -7.512 1.00 0.00 H new ATOM 143 N GLU A 13 -10.134 -2.579 -4.742 1.00 0.00 N ATOM 144 CA GLU A 13 -11.316 -2.954 -3.975 1.00 0.00 C ATOM 145 C GLU A 13 -11.865 -4.299 -4.444 1.00 0.00 C ATOM 146 O GLU A 13 -12.192 -5.164 -3.634 1.00 0.00 O ATOM 147 CB GLU A 13 -12.396 -1.878 -4.100 1.00 0.00 C ATOM 148 CG GLU A 13 -12.078 -0.605 -3.335 1.00 0.00 C ATOM 149 CD GLU A 13 -13.284 0.302 -3.183 1.00 0.00 C ATOM 150 OE1 GLU A 13 -13.982 0.533 -4.193 1.00 0.00 O ATOM 151 OE2 GLU A 13 -13.530 0.780 -2.056 1.00 0.00 O ATOM 0 H GLU A 13 -10.229 -1.708 -5.264 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.024 -3.045 -2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.534 -1.634 -5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.342 -2.281 -3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.697 -0.865 -2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.284 -0.064 -3.851 1.00 0.00 H new ATOM 158 N ASN A 14 -11.962 -4.464 -5.760 1.00 0.00 N ATOM 159 CA ASN A 14 -12.473 -5.702 -6.338 1.00 0.00 C ATOM 160 C ASN A 14 -11.609 -6.891 -5.928 1.00 0.00 C ATOM 161 O ASN A 14 -12.118 -7.981 -5.670 1.00 0.00 O ATOM 162 CB ASN A 14 -12.521 -5.594 -7.864 1.00 0.00 C ATOM 163 CG ASN A 14 -12.451 -6.949 -8.541 1.00 0.00 C ATOM 164 OD1 ASN A 14 -13.272 -7.829 -8.281 1.00 0.00 O ATOM 165 ND2 ASN A 14 -11.467 -7.123 -9.416 1.00 0.00 N ATOM 0 H ASN A 14 -11.694 -3.757 -6.445 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.483 -5.862 -5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -13.440 -5.089 -8.161 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.692 -4.975 -8.208 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.369 -8.014 -9.903 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.809 -6.366 -9.601 1.00 0.00 H new ATOM 172 N SER A 15 -10.299 -6.671 -5.870 1.00 0.00 N ATOM 173 CA SER A 15 -9.364 -7.725 -5.494 1.00 0.00 C ATOM 174 C SER A 15 -9.458 -8.029 -4.002 1.00 0.00 C ATOM 175 O SER A 15 -10.234 -7.405 -3.277 1.00 0.00 O ATOM 176 CB SER A 15 -7.933 -7.318 -5.854 1.00 0.00 C ATOM 177 OG SER A 15 -7.137 -8.455 -6.142 1.00 0.00 O ATOM 0 H SER A 15 -9.862 -5.773 -6.078 1.00 0.00 H new ATOM 0 HA SER A 15 -9.629 -8.626 -6.047 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.947 -6.652 -6.717 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.491 -6.761 -5.028 1.00 0.00 H new ATOM 0 HG SER A 15 -6.228 -8.169 -6.371 1.00 0.00 H new ATOM 183 N LYS A 16 -8.662 -8.991 -3.549 1.00 0.00 N ATOM 184 CA LYS A 16 -8.653 -9.379 -2.144 1.00 0.00 C ATOM 185 C LYS A 16 -7.225 -9.561 -1.639 1.00 0.00 C ATOM 186 O LYS A 16 -6.351 -10.022 -2.374 1.00 0.00 O ATOM 187 CB LYS A 16 -9.444 -10.674 -1.945 1.00 0.00 C ATOM 188 CG LYS A 16 -10.885 -10.584 -2.416 1.00 0.00 C ATOM 189 CD LYS A 16 -11.458 -11.957 -2.724 1.00 0.00 C ATOM 190 CE LYS A 16 -11.214 -12.352 -4.172 1.00 0.00 C ATOM 191 NZ LYS A 16 -9.918 -13.065 -4.342 1.00 0.00 N ATOM 0 H LYS A 16 -8.014 -9.517 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.124 -8.581 -1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.945 -11.481 -2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.432 -10.939 -0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.490 -10.100 -1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.939 -9.958 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.007 -12.697 -2.063 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.529 -11.959 -2.521 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.028 -12.991 -4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.222 -11.460 -4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.957 -13.658 -5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.150 -12.371 -4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.740 -13.665 -3.511 1.00 0.00 H new ATOM 205 N TRP A 17 -6.996 -9.199 -0.382 1.00 0.00 N ATOM 206 CA TRP A 17 -5.674 -9.324 0.221 1.00 0.00 C ATOM 207 C TRP A 17 -4.974 -10.591 -0.260 1.00 0.00 C ATOM 208 O TRP A 17 -5.550 -11.678 -0.227 1.00 0.00 O ATOM 209 CB TRP A 17 -5.785 -9.336 1.746 1.00 0.00 C ATOM 210 CG TRP A 17 -4.461 -9.463 2.437 1.00 0.00 C ATOM 211 CD1 TRP A 17 -3.735 -8.458 3.010 1.00 0.00 C ATOM 212 CD2 TRP A 17 -3.705 -10.665 2.626 1.00 0.00 C ATOM 213 NE1 TRP A 17 -2.573 -8.963 3.543 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.532 -10.314 3.322 1.00 0.00 C ATOM 215 CE3 TRP A 17 -3.907 -12.003 2.277 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.566 -11.253 3.673 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -2.947 -12.934 2.626 1.00 0.00 C ATOM 218 CH2 TRP A 17 -1.789 -12.556 3.318 1.00 0.00 C ATOM 0 H TRP A 17 -7.709 -8.817 0.240 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.079 -8.464 -0.086 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.272 -8.418 2.075 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.426 -10.163 2.050 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.030 -7.420 3.040 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.857 -8.419 4.025 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.797 -12.304 1.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.673 -10.964 4.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.092 -13.971 2.361 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.058 -13.308 3.576 1.00 0.00 H new ATOM 229 N GLU A 18 -3.731 -10.443 -0.705 1.00 0.00 N ATOM 230 CA GLU A 18 -2.954 -11.577 -1.193 1.00 0.00 C ATOM 231 C GLU A 18 -1.659 -11.731 -0.401 1.00 0.00 C ATOM 232 O GLU A 18 -0.997 -10.754 -0.050 1.00 0.00 O ATOM 233 CB GLU A 18 -2.638 -11.405 -2.680 1.00 0.00 C ATOM 234 CG GLU A 18 -1.310 -12.016 -3.094 1.00 0.00 C ATOM 235 CD GLU A 18 -1.311 -12.496 -4.533 1.00 0.00 C ATOM 236 OE1 GLU A 18 -1.929 -11.820 -5.382 1.00 0.00 O ATOM 237 OE2 GLU A 18 -0.696 -13.547 -4.809 1.00 0.00 O ATOM 0 H GLU A 18 -3.240 -9.550 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.551 -12.479 -1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.436 -11.859 -3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.630 -10.342 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.518 -11.279 -2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.079 -12.854 -2.436 1.00 0.00 H new ATOM 244 N PRO A 19 -1.289 -12.987 -0.111 1.00 0.00 N ATOM 245 CA PRO A 19 -0.071 -13.299 0.643 1.00 0.00 C ATOM 246 C PRO A 19 1.196 -13.005 -0.154 1.00 0.00 C ATOM 247 O PRO A 19 1.691 -13.860 -0.889 1.00 0.00 O ATOM 248 CB PRO A 19 -0.196 -14.800 0.913 1.00 0.00 C ATOM 249 CG PRO A 19 -1.068 -15.311 -0.181 1.00 0.00 C ATOM 250 CD PRO A 19 -2.030 -14.199 -0.497 1.00 0.00 C ATOM 0 HA PRO A 19 0.015 -12.695 1.546 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.779 -15.287 0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.636 -14.991 1.892 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.478 -15.578 -1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.599 -16.210 0.131 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.297 -14.187 -1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.958 -14.299 0.066 1.00 0.00 H new ATOM 258 N VAL A 20 1.716 -11.791 -0.004 1.00 0.00 N ATOM 259 CA VAL A 20 2.926 -11.386 -0.709 1.00 0.00 C ATOM 260 C VAL A 20 3.973 -10.849 0.261 1.00 0.00 C ATOM 261 O VAL A 20 3.655 -10.098 1.182 1.00 0.00 O ATOM 262 CB VAL A 20 2.624 -10.309 -1.769 1.00 0.00 C ATOM 263 CG1 VAL A 20 1.872 -9.143 -1.146 1.00 0.00 C ATOM 264 CG2 VAL A 20 3.911 -9.834 -2.426 1.00 0.00 C ATOM 0 H VAL A 20 1.318 -11.071 0.599 1.00 0.00 H new ATOM 0 HA VAL A 20 3.316 -12.275 -1.205 1.00 0.00 H new ATOM 0 HB VAL A 20 1.990 -10.749 -2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.667 -8.392 -1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.931 -9.499 -0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.478 -8.700 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.680 -9.074 -3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.571 -9.411 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.406 -10.677 -2.909 1.00 0.00 H new ATOM 274 N LYS A 21 5.225 -11.240 0.046 1.00 0.00 N ATOM 275 CA LYS A 21 6.321 -10.798 0.899 1.00 0.00 C ATOM 276 C LYS A 21 6.876 -9.459 0.422 1.00 0.00 C ATOM 277 O LYS A 21 7.499 -9.377 -0.636 1.00 0.00 O ATOM 278 CB LYS A 21 7.436 -11.846 0.917 1.00 0.00 C ATOM 279 CG LYS A 21 8.661 -11.419 1.707 1.00 0.00 C ATOM 280 CD LYS A 21 8.469 -11.645 3.198 1.00 0.00 C ATOM 281 CE LYS A 21 9.803 -11.792 3.915 1.00 0.00 C ATOM 282 NZ LYS A 21 10.572 -10.518 3.922 1.00 0.00 N ATOM 0 H LYS A 21 5.505 -11.862 -0.712 1.00 0.00 H new ATOM 0 HA LYS A 21 5.933 -10.672 1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.046 -12.772 1.340 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.734 -12.065 -0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.531 -11.978 1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.866 -10.365 1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.915 -10.809 3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.868 -12.541 3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.630 -12.117 4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.393 -12.569 3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.474 -10.660 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.759 -10.220 2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.021 -9.782 4.408 1.00 0.00 H new ATOM 296 N TRP A 22 6.646 -8.415 1.210 1.00 0.00 N ATOM 297 CA TRP A 22 7.125 -7.080 0.868 1.00 0.00 C ATOM 298 C TRP A 22 8.634 -6.978 1.057 1.00 0.00 C ATOM 299 O TRP A 22 9.151 -7.234 2.144 1.00 0.00 O ATOM 300 CB TRP A 22 6.419 -6.028 1.725 1.00 0.00 C ATOM 301 CG TRP A 22 4.942 -5.958 1.483 1.00 0.00 C ATOM 302 CD1 TRP A 22 3.950 -6.257 2.372 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.290 -5.565 0.270 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.721 -6.074 1.786 1.00 0.00 N ATOM 305 CE2 TRP A 22 2.902 -5.649 0.497 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.743 -5.148 -0.984 1.00 0.00 C ATOM 307 CZ2 TRP A 22 1.967 -5.333 -0.485 1.00 0.00 C ATOM 308 CZ3 TRP A 22 3.814 -4.835 -1.958 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.439 -4.928 -1.704 1.00 0.00 C ATOM 0 H TRP A 22 6.131 -8.467 2.089 1.00 0.00 H new ATOM 0 HA TRP A 22 6.896 -6.897 -0.182 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.597 -6.248 2.778 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.859 -5.051 1.524 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.108 -6.589 3.387 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.820 -6.229 2.238 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.801 -5.072 -1.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.907 -5.405 -0.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.153 -4.513 -2.931 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.738 -4.675 -2.486 1.00 0.00 H new ATOM 320 N GLU A 23 9.335 -6.602 -0.009 1.00 0.00 N ATOM 321 CA GLU A 23 10.786 -6.468 0.042 1.00 0.00 C ATOM 322 C GLU A 23 11.197 -4.998 0.026 1.00 0.00 C ATOM 323 O GLU A 23 10.450 -4.139 -0.438 1.00 0.00 O ATOM 324 CB GLU A 23 11.430 -7.201 -1.137 1.00 0.00 C ATOM 325 CG GLU A 23 11.268 -8.710 -1.077 1.00 0.00 C ATOM 326 CD GLU A 23 12.239 -9.438 -1.986 1.00 0.00 C ATOM 327 OE1 GLU A 23 13.427 -9.548 -1.619 1.00 0.00 O ATOM 328 OE2 GLU A 23 11.809 -9.899 -3.064 1.00 0.00 O ATOM 0 H GLU A 23 8.922 -6.385 -0.916 1.00 0.00 H new ATOM 0 HA GLU A 23 11.134 -6.915 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.992 -6.834 -2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.492 -6.959 -1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.415 -9.047 -0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.248 -8.973 -1.356 1.00 0.00 H new ATOM 335 N ASN A 24 12.391 -4.718 0.538 1.00 0.00 N ATOM 336 CA ASN A 24 12.902 -3.353 0.585 1.00 0.00 C ATOM 337 C ASN A 24 12.922 -2.732 -0.808 1.00 0.00 C ATOM 338 O ASN A 24 13.186 -3.413 -1.799 1.00 0.00 O ATOM 339 CB ASN A 24 14.310 -3.333 1.184 1.00 0.00 C ATOM 340 CG ASN A 24 14.909 -1.940 1.207 1.00 0.00 C ATOM 341 OD1 ASN A 24 15.797 -1.621 0.417 1.00 0.00 O ATOM 342 ND2 ASN A 24 14.423 -1.102 2.116 1.00 0.00 N ATOM 0 H ASN A 24 13.023 -5.418 0.926 1.00 0.00 H new ATOM 0 HA ASN A 24 12.237 -2.764 1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.275 -3.727 2.200 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.957 -3.994 0.607 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.786 -0.151 2.179 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.686 -1.410 2.751 1.00 0.00 H new ATOM 349 N ASP A 25 12.641 -1.435 -0.875 1.00 0.00 N ATOM 350 CA ASP A 25 12.628 -0.720 -2.147 1.00 0.00 C ATOM 351 C ASP A 25 11.570 -1.297 -3.083 1.00 0.00 C ATOM 352 O ASP A 25 11.861 -1.633 -4.231 1.00 0.00 O ATOM 353 CB ASP A 25 14.005 -0.788 -2.809 1.00 0.00 C ATOM 354 CG ASP A 25 14.286 0.416 -3.685 1.00 0.00 C ATOM 355 OD1 ASP A 25 14.282 1.548 -3.157 1.00 0.00 O ATOM 356 OD2 ASP A 25 14.510 0.227 -4.899 1.00 0.00 O ATOM 0 H ASP A 25 12.419 -0.857 -0.064 1.00 0.00 H new ATOM 0 HA ASP A 25 12.381 0.323 -1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.772 -0.860 -2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.071 -1.695 -3.410 1.00 0.00 H new ATOM 361 N MET A 26 10.344 -1.409 -2.585 1.00 0.00 N ATOM 362 CA MET A 26 9.243 -1.945 -3.377 1.00 0.00 C ATOM 363 C MET A 26 8.096 -0.943 -3.462 1.00 0.00 C ATOM 364 O MET A 26 8.039 0.017 -2.694 1.00 0.00 O ATOM 365 CB MET A 26 8.745 -3.260 -2.774 1.00 0.00 C ATOM 366 CG MET A 26 9.464 -4.486 -3.310 1.00 0.00 C ATOM 367 SD MET A 26 8.817 -5.030 -4.903 1.00 0.00 S ATOM 368 CE MET A 26 7.268 -5.777 -4.401 1.00 0.00 C ATOM 0 H MET A 26 10.087 -1.136 -1.636 1.00 0.00 H new ATOM 0 HA MET A 26 9.612 -2.134 -4.385 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.866 -3.222 -1.691 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.678 -3.360 -2.972 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.526 -4.264 -3.410 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.375 -5.299 -2.589 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.896 -6.416 -5.202 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.426 -6.375 -3.503 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.538 -4.995 -4.192 1.00 0.00 H new ATOM 378 N HIS A 27 7.183 -1.174 -4.401 1.00 0.00 N ATOM 379 CA HIS A 27 6.037 -0.291 -4.585 1.00 0.00 C ATOM 380 C HIS A 27 4.735 -1.016 -4.258 1.00 0.00 C ATOM 381 O HIS A 27 4.617 -2.224 -4.466 1.00 0.00 O ATOM 382 CB HIS A 27 5.996 0.233 -6.021 1.00 0.00 C ATOM 383 CG HIS A 27 7.007 1.303 -6.297 1.00 0.00 C ATOM 384 ND1 HIS A 27 6.868 2.227 -7.311 1.00 0.00 N ATOM 385 CD2 HIS A 27 8.178 1.594 -5.683 1.00 0.00 C ATOM 386 CE1 HIS A 27 7.910 3.038 -7.311 1.00 0.00 C ATOM 387 NE2 HIS A 27 8.720 2.676 -6.332 1.00 0.00 N ATOM 0 H HIS A 27 7.215 -1.964 -5.045 1.00 0.00 H new ATOM 0 HA HIS A 27 6.145 0.551 -3.902 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.162 -0.598 -6.707 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.000 0.624 -6.228 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.606 1.072 -4.840 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.073 3.858 -7.995 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.604 3.127 -6.097 1.00 0.00 H new ATOM 395 N CYS A 28 3.761 -0.271 -3.746 1.00 0.00 N ATOM 396 CA CYS A 28 2.468 -0.844 -3.389 1.00 0.00 C ATOM 397 C CYS A 28 1.440 0.253 -3.131 1.00 0.00 C ATOM 398 O CYS A 28 1.796 1.393 -2.834 1.00 0.00 O ATOM 399 CB CYS A 28 2.604 -1.734 -2.153 1.00 0.00 C ATOM 400 SG CYS A 28 3.235 -0.875 -0.692 1.00 0.00 S ATOM 0 H CYS A 28 3.842 0.730 -3.569 1.00 0.00 H new ATOM 0 HA CYS A 28 2.123 -1.450 -4.227 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.630 -2.162 -1.917 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.269 -2.565 -2.388 1.00 0.00 H new ATOM 0 HG CYS A 28 2.996 0.398 -0.800 1.00 0.00 H new ATOM 406 N ALA A 29 0.164 -0.099 -3.247 1.00 0.00 N ATOM 407 CA ALA A 29 -0.915 0.855 -3.025 1.00 0.00 C ATOM 408 C ALA A 29 -1.472 0.735 -1.611 1.00 0.00 C ATOM 409 O ALA A 29 -2.048 -0.290 -1.244 1.00 0.00 O ATOM 410 CB ALA A 29 -2.021 0.649 -4.049 1.00 0.00 C ATOM 0 H ALA A 29 -0.148 -1.038 -3.494 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.508 1.859 -3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.820 1.368 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.620 0.793 -5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.417 -0.363 -3.959 1.00 0.00 H new ATOM 416 N VAL A 30 -1.297 1.789 -0.819 1.00 0.00 N ATOM 417 CA VAL A 30 -1.783 1.801 0.556 1.00 0.00 C ATOM 418 C VAL A 30 -3.207 2.340 0.630 1.00 0.00 C ATOM 419 O VAL A 30 -3.606 3.184 -0.172 1.00 0.00 O ATOM 420 CB VAL A 30 -0.875 2.652 1.464 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.701 4.048 0.887 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.442 2.715 2.874 1.00 0.00 C ATOM 0 H VAL A 30 -0.822 2.645 -1.106 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.770 0.769 0.906 1.00 0.00 H new ATOM 0 HB VAL A 30 0.107 2.181 1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.057 4.635 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.247 3.979 -0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.674 4.532 0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.788 3.320 3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.435 3.163 2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.509 1.707 3.285 1.00 0.00 H new ATOM 432 N LYS A 31 -3.970 1.848 1.600 1.00 0.00 N ATOM 433 CA LYS A 31 -5.350 2.281 1.783 1.00 0.00 C ATOM 434 C LYS A 31 -5.489 3.143 3.034 1.00 0.00 C ATOM 435 O LYS A 31 -5.113 2.727 4.130 1.00 0.00 O ATOM 436 CB LYS A 31 -6.278 1.068 1.881 1.00 0.00 C ATOM 437 CG LYS A 31 -7.727 1.431 2.156 1.00 0.00 C ATOM 438 CD LYS A 31 -8.580 0.193 2.373 1.00 0.00 C ATOM 439 CE LYS A 31 -9.747 0.476 3.307 1.00 0.00 C ATOM 440 NZ LYS A 31 -10.875 -0.471 3.090 1.00 0.00 N ATOM 0 H LYS A 31 -3.655 1.148 2.272 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.634 2.880 0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.224 0.504 0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.920 0.411 2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.782 2.071 3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.124 2.006 1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.958 -0.162 1.414 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.965 -0.605 2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.409 0.407 4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.096 1.497 3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.650 -0.244 3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.215 -0.388 2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.550 -1.444 3.262 1.00 0.00 H new ATOM 454 N ILE A 32 -6.032 4.343 2.862 1.00 0.00 N ATOM 455 CA ILE A 32 -6.223 5.261 3.978 1.00 0.00 C ATOM 456 C ILE A 32 -7.502 4.939 4.743 1.00 0.00 C ATOM 457 O ILE A 32 -8.506 4.542 4.152 1.00 0.00 O ATOM 458 CB ILE A 32 -6.279 6.724 3.500 1.00 0.00 C ATOM 459 CG1 ILE A 32 -5.088 7.032 2.590 1.00 0.00 C ATOM 460 CG2 ILE A 32 -6.301 7.670 4.691 1.00 0.00 C ATOM 461 CD1 ILE A 32 -5.211 8.351 1.860 1.00 0.00 C ATOM 0 H ILE A 32 -6.347 4.702 1.961 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.366 5.136 4.639 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.196 6.869 2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.177 7.041 3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.982 6.230 1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.341 8.700 4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.178 7.463 5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.400 7.526 5.287 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.332 8.504 1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.104 8.339 1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.286 9.162 2.584 1.00 0.00 H new ATOM 473 N GLN A 33 -7.458 5.114 6.060 1.00 0.00 N ATOM 474 CA GLN A 33 -8.615 4.843 6.905 1.00 0.00 C ATOM 475 C GLN A 33 -9.465 6.096 7.084 1.00 0.00 C ATOM 476 O GLN A 33 -10.694 6.029 7.091 1.00 0.00 O ATOM 477 CB GLN A 33 -8.164 4.319 8.270 1.00 0.00 C ATOM 478 CG GLN A 33 -7.235 5.269 9.009 1.00 0.00 C ATOM 479 CD GLN A 33 -6.977 4.837 10.439 1.00 0.00 C ATOM 480 OE1 GLN A 33 -7.852 4.941 11.299 1.00 0.00 O ATOM 481 NE2 GLN A 33 -5.770 4.348 10.701 1.00 0.00 N ATOM 0 H GLN A 33 -6.634 5.442 6.564 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.222 4.083 6.413 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.043 4.131 8.886 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.659 3.363 8.134 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.287 5.332 8.476 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.668 6.269 9.008 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.075 4.280 9.958 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.538 4.041 11.646 1.00 0.00 H new ATOM 490 N ASP A 34 -8.802 7.239 7.228 1.00 0.00 N ATOM 491 CA ASP A 34 -9.497 8.508 7.406 1.00 0.00 C ATOM 492 C ASP A 34 -10.084 8.997 6.085 1.00 0.00 C ATOM 493 O ASP A 34 -10.925 9.895 6.062 1.00 0.00 O ATOM 494 CB ASP A 34 -8.543 9.561 7.974 1.00 0.00 C ATOM 495 CG ASP A 34 -7.580 8.980 8.992 1.00 0.00 C ATOM 496 OD1 ASP A 34 -6.567 8.381 8.575 1.00 0.00 O ATOM 497 OD2 ASP A 34 -7.841 9.124 10.205 1.00 0.00 O ATOM 0 H ASP A 34 -7.785 7.312 7.225 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.314 8.350 8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.977 10.012 7.159 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.122 10.359 8.440 1.00 0.00 H new ATOM 502 N LYS A 35 -9.633 8.400 4.987 1.00 0.00 N ATOM 503 CA LYS A 35 -10.113 8.772 3.662 1.00 0.00 C ATOM 504 C LYS A 35 -10.603 7.548 2.896 1.00 0.00 C ATOM 505 O LYS A 35 -10.499 6.421 3.378 1.00 0.00 O ATOM 506 CB LYS A 35 -9.003 9.470 2.872 1.00 0.00 C ATOM 507 CG LYS A 35 -8.305 10.573 3.649 1.00 0.00 C ATOM 508 CD LYS A 35 -9.249 11.726 3.950 1.00 0.00 C ATOM 509 CE LYS A 35 -8.490 12.967 4.391 1.00 0.00 C ATOM 510 NZ LYS A 35 -9.231 14.217 4.065 1.00 0.00 N ATOM 0 H LYS A 35 -8.935 7.656 4.989 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.950 9.459 3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.264 8.729 2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.427 9.891 1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.913 10.170 4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.453 10.939 3.077 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.839 11.955 3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.949 11.430 4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.312 12.921 5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.514 12.987 3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.680 15.040 4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.379 14.275 3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.152 14.211 4.548 1.00 0.00 H new ATOM 524 N ASN A 36 -11.136 7.777 1.700 1.00 0.00 N ATOM 525 CA ASN A 36 -11.641 6.691 0.867 1.00 0.00 C ATOM 526 C ASN A 36 -10.897 6.635 -0.463 1.00 0.00 C ATOM 527 O ASN A 36 -11.485 6.334 -1.502 1.00 0.00 O ATOM 528 CB ASN A 36 -13.140 6.866 0.619 1.00 0.00 C ATOM 529 CG ASN A 36 -13.813 5.571 0.206 1.00 0.00 C ATOM 530 OD1 ASN A 36 -13.312 4.482 0.486 1.00 0.00 O ATOM 531 ND2 ASN A 36 -14.954 5.685 -0.463 1.00 0.00 N ATOM 0 H ASN A 36 -11.229 8.704 1.286 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.474 5.753 1.396 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.613 7.246 1.525 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.292 7.615 -0.158 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.453 4.849 -0.767 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.332 6.609 -0.673 1.00 0.00 H new ATOM 538 N GLN A 37 -9.601 6.926 -0.423 1.00 0.00 N ATOM 539 CA GLN A 37 -8.777 6.909 -1.626 1.00 0.00 C ATOM 540 C GLN A 37 -7.693 5.839 -1.529 1.00 0.00 C ATOM 541 O GLN A 37 -7.569 5.160 -0.510 1.00 0.00 O ATOM 542 CB GLN A 37 -8.138 8.280 -1.852 1.00 0.00 C ATOM 543 CG GLN A 37 -9.019 9.241 -2.633 1.00 0.00 C ATOM 544 CD GLN A 37 -8.548 10.678 -2.532 1.00 0.00 C ATOM 545 OE1 GLN A 37 -7.839 11.047 -1.596 1.00 0.00 O ATOM 546 NE2 GLN A 37 -8.942 11.500 -3.498 1.00 0.00 N ATOM 0 H GLN A 37 -9.099 7.176 0.429 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.421 6.672 -2.473 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.899 8.724 -0.886 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.196 8.149 -2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.037 8.941 -3.681 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.042 9.171 -2.264 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.530 11.152 -4.256 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.657 12.479 -3.482 1.00 0.00 H new ATOM 555 N TRP A 38 -6.914 5.696 -2.594 1.00 0.00 N ATOM 556 CA TRP A 38 -5.841 4.708 -2.628 1.00 0.00 C ATOM 557 C TRP A 38 -4.529 5.344 -3.076 1.00 0.00 C ATOM 558 O TRP A 38 -4.386 5.745 -4.231 1.00 0.00 O ATOM 559 CB TRP A 38 -6.209 3.557 -3.565 1.00 0.00 C ATOM 560 CG TRP A 38 -7.079 2.521 -2.920 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.444 2.516 -2.863 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.643 1.340 -2.238 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.882 1.403 -2.187 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.797 0.665 -1.794 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.390 0.786 -1.960 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.733 -0.533 -1.088 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -5.329 -0.403 -1.259 1.00 0.00 C ATOM 568 CH2 TRP A 38 -6.494 -1.053 -0.830 1.00 0.00 C ATOM 0 H TRP A 38 -7.004 6.251 -3.445 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.709 4.318 -1.619 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.722 3.959 -4.439 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.295 3.082 -3.922 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.084 3.275 -3.287 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.857 1.165 -2.007 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.486 1.278 -2.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.630 -1.034 -0.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.366 -0.839 -1.038 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.412 -1.982 -0.285 1.00 0.00 H new ATOM 579 N ARG A 39 -3.575 5.434 -2.155 1.00 0.00 N ATOM 580 CA ARG A 39 -2.276 6.023 -2.455 1.00 0.00 C ATOM 581 C ARG A 39 -1.206 4.942 -2.581 1.00 0.00 C ATOM 582 O ARG A 39 -1.482 3.757 -2.400 1.00 0.00 O ATOM 583 CB ARG A 39 -1.881 7.023 -1.367 1.00 0.00 C ATOM 584 CG ARG A 39 -2.580 8.367 -1.493 1.00 0.00 C ATOM 585 CD ARG A 39 -2.195 9.303 -0.358 1.00 0.00 C ATOM 586 NE ARG A 39 -2.909 10.575 -0.432 1.00 0.00 N ATOM 587 CZ ARG A 39 -2.855 11.504 0.516 1.00 0.00 C ATOM 588 NH1 ARG A 39 -2.125 11.304 1.604 1.00 0.00 N ATOM 589 NH2 ARG A 39 -3.533 12.636 0.376 1.00 0.00 N ATOM 0 H ARG A 39 -3.678 5.106 -1.195 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.354 6.547 -3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.109 6.594 -0.391 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.803 7.179 -1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.321 8.825 -2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.660 8.218 -1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.409 8.822 0.597 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.121 9.488 -0.389 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.480 10.760 -1.257 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.603 10.435 1.715 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.085 12.019 2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.096 12.793 -0.460 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.491 13.349 1.104 1.00 0.00 H new ATOM 603 N ARG A 40 0.017 5.361 -2.891 1.00 0.00 N ATOM 604 CA ARG A 40 1.128 4.430 -3.043 1.00 0.00 C ATOM 605 C ARG A 40 2.209 4.699 -1.999 1.00 0.00 C ATOM 606 O ARG A 40 2.247 5.767 -1.391 1.00 0.00 O ATOM 607 CB ARG A 40 1.723 4.536 -4.448 1.00 0.00 C ATOM 608 CG ARG A 40 0.740 4.189 -5.554 1.00 0.00 C ATOM 609 CD ARG A 40 -0.054 5.408 -5.997 1.00 0.00 C ATOM 610 NE ARG A 40 -0.452 5.322 -7.399 1.00 0.00 N ATOM 611 CZ ARG A 40 0.374 5.551 -8.413 1.00 0.00 C ATOM 612 NH1 ARG A 40 1.638 5.878 -8.182 1.00 0.00 N ATOM 613 NH2 ARG A 40 -0.063 5.452 -9.662 1.00 0.00 N ATOM 0 H ARG A 40 0.263 6.339 -3.042 1.00 0.00 H new ATOM 0 HA ARG A 40 0.746 3.420 -2.894 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.088 5.551 -4.603 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.585 3.873 -4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.280 3.776 -6.406 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.056 3.415 -5.205 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.942 5.508 -5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.545 6.306 -5.845 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.418 5.072 -7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.978 5.954 -7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.270 6.053 -8.963 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.034 5.200 -9.844 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.573 5.628 -10.440 1.00 0.00 H new ATOM 627 N GLY A 41 3.086 3.720 -1.797 1.00 0.00 N ATOM 628 CA GLY A 41 4.154 3.870 -0.827 1.00 0.00 C ATOM 629 C GLY A 41 5.367 3.026 -1.165 1.00 0.00 C ATOM 630 O GLY A 41 5.277 2.089 -1.958 1.00 0.00 O ATOM 0 H GLY A 41 3.075 2.826 -2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.448 4.918 -0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.786 3.592 0.160 1.00 0.00 H new ATOM 634 N GLN A 42 6.505 3.360 -0.564 1.00 0.00 N ATOM 635 CA GLN A 42 7.741 2.627 -0.808 1.00 0.00 C ATOM 636 C GLN A 42 8.188 1.881 0.444 1.00 0.00 C ATOM 637 O GLN A 42 8.504 2.494 1.464 1.00 0.00 O ATOM 638 CB GLN A 42 8.844 3.583 -1.267 1.00 0.00 C ATOM 639 CG GLN A 42 9.982 2.892 -2.001 1.00 0.00 C ATOM 640 CD GLN A 42 11.073 3.855 -2.424 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.144 4.984 -1.937 1.00 0.00 O ATOM 642 NE2 GLN A 42 11.932 3.414 -3.336 1.00 0.00 N ATOM 0 H GLN A 42 6.596 4.133 0.095 1.00 0.00 H new ATOM 0 HA GLN A 42 7.551 1.897 -1.595 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.409 4.340 -1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.246 4.104 -0.398 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.410 2.123 -1.358 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.587 2.387 -2.882 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.836 2.471 -3.713 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.687 4.018 -3.659 1.00 0.00 H new ATOM 651 N ILE A 43 8.212 0.555 0.360 1.00 0.00 N ATOM 652 CA ILE A 43 8.621 -0.275 1.487 1.00 0.00 C ATOM 653 C ILE A 43 9.898 0.259 2.127 1.00 0.00 C ATOM 654 O ILE A 43 11.003 -0.028 1.666 1.00 0.00 O ATOM 655 CB ILE A 43 8.848 -1.736 1.057 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.594 -2.292 0.380 1.00 0.00 C ATOM 657 CG2 ILE A 43 9.230 -2.588 2.258 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.373 -2.288 1.273 1.00 0.00 C ATOM 0 H ILE A 43 7.953 0.032 -0.477 1.00 0.00 H new ATOM 0 HA ILE A 43 7.810 -0.241 2.215 1.00 0.00 H new ATOM 0 HB ILE A 43 9.668 -1.765 0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.383 -1.705 -0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.790 -3.313 0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.387 -3.618 1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.148 -2.202 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.429 -2.556 2.997 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.522 -2.696 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.565 -2.899 2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.151 -1.266 1.581 1.00 0.00 H new ATOM 670 N ILE A 44 9.738 1.036 3.194 1.00 0.00 N ATOM 671 CA ILE A 44 10.878 1.607 3.900 1.00 0.00 C ATOM 672 C ILE A 44 11.558 0.565 4.780 1.00 0.00 C ATOM 673 O ILE A 44 12.691 0.160 4.518 1.00 0.00 O ATOM 674 CB ILE A 44 10.457 2.804 4.773 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.965 3.956 3.894 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.617 3.256 5.647 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.498 5.160 4.682 1.00 0.00 C ATOM 0 H ILE A 44 8.830 1.284 3.588 1.00 0.00 H new ATOM 0 HA ILE A 44 11.580 1.951 3.140 1.00 0.00 H new ATOM 0 HB ILE A 44 9.639 2.492 5.422 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.769 4.260 3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.146 3.601 3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.304 4.103 6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.926 2.436 6.295 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.454 3.554 5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.164 5.937 3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.673 4.871 5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.321 5.540 5.287 1.00 0.00 H new ATOM 689 N ARG A 45 10.858 0.132 5.824 1.00 0.00 N ATOM 690 CA ARG A 45 11.394 -0.865 6.743 1.00 0.00 C ATOM 691 C ARG A 45 10.269 -1.641 7.420 1.00 0.00 C ATOM 692 O ARG A 45 9.416 -1.059 8.090 1.00 0.00 O ATOM 693 CB ARG A 45 12.273 -0.194 7.800 1.00 0.00 C ATOM 694 CG ARG A 45 11.490 0.376 8.971 1.00 0.00 C ATOM 695 CD ARG A 45 12.339 1.327 9.800 1.00 0.00 C ATOM 696 NE ARG A 45 11.715 1.644 11.081 1.00 0.00 N ATOM 697 CZ ARG A 45 12.355 2.231 12.086 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.633 2.563 11.958 1.00 0.00 N ATOM 699 NH2 ARG A 45 11.718 2.487 13.221 1.00 0.00 N ATOM 0 H ARG A 45 9.919 0.456 6.054 1.00 0.00 H new ATOM 0 HA ARG A 45 11.999 -1.565 6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.994 -0.920 8.175 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.843 0.608 7.331 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.610 0.902 8.600 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.133 -0.438 9.602 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.318 0.880 9.975 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.504 2.247 9.240 1.00 0.00 H new ATOM 0 HE ARG A 45 10.733 1.401 11.212 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.126 2.368 11.087 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.123 3.014 12.731 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.735 2.233 13.323 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.211 2.938 13.992 1.00 0.00 H new ATOM 713 N MET A 46 10.273 -2.958 7.239 1.00 0.00 N ATOM 714 CA MET A 46 9.252 -3.813 7.833 1.00 0.00 C ATOM 715 C MET A 46 9.390 -3.850 9.352 1.00 0.00 C ATOM 716 O MET A 46 10.364 -4.381 9.884 1.00 0.00 O ATOM 717 CB MET A 46 9.351 -5.231 7.266 1.00 0.00 C ATOM 718 CG MET A 46 8.915 -5.337 5.814 1.00 0.00 C ATOM 719 SD MET A 46 8.494 -7.024 5.336 1.00 0.00 S ATOM 720 CE MET A 46 7.046 -7.312 6.351 1.00 0.00 C ATOM 0 H MET A 46 10.971 -3.456 6.686 1.00 0.00 H new ATOM 0 HA MET A 46 8.276 -3.397 7.584 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.381 -5.577 7.354 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.737 -5.899 7.871 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.052 -4.691 5.650 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.715 -4.970 5.171 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.017 -8.358 6.655 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.090 -6.678 7.237 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.148 -7.075 5.780 1.00 0.00 H new ATOM 730 N VAL A 47 8.408 -3.281 10.044 1.00 0.00 N ATOM 731 CA VAL A 47 8.420 -3.250 11.502 1.00 0.00 C ATOM 732 C VAL A 47 8.105 -4.623 12.084 1.00 0.00 C ATOM 733 O VAL A 47 8.958 -5.259 12.704 1.00 0.00 O ATOM 734 CB VAL A 47 7.406 -2.228 12.049 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.419 -2.225 13.571 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.702 -0.839 11.503 1.00 0.00 C ATOM 0 H VAL A 47 7.595 -2.836 9.619 1.00 0.00 H new ATOM 0 HA VAL A 47 9.424 -2.953 11.804 1.00 0.00 H new ATOM 0 HB VAL A 47 6.409 -2.519 11.718 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.696 -1.497 13.940 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.155 -3.216 13.939 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.415 -1.959 13.926 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.976 -0.130 11.900 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.706 -0.537 11.802 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.637 -0.854 10.415 1.00 0.00 H new ATOM 746 N THR A 48 6.872 -5.078 11.880 1.00 0.00 N ATOM 747 CA THR A 48 6.443 -6.376 12.385 1.00 0.00 C ATOM 748 C THR A 48 5.890 -7.247 11.262 1.00 0.00 C ATOM 749 O THR A 48 5.737 -6.792 10.128 1.00 0.00 O ATOM 750 CB THR A 48 5.369 -6.227 13.479 1.00 0.00 C ATOM 751 OG1 THR A 48 4.268 -5.457 12.983 1.00 0.00 O ATOM 752 CG2 THR A 48 5.947 -5.556 14.716 1.00 0.00 C ATOM 0 H THR A 48 6.153 -4.566 11.368 1.00 0.00 H new ATOM 0 HA THR A 48 7.323 -6.855 12.814 1.00 0.00 H new ATOM 0 HB THR A 48 5.021 -7.223 13.754 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.435 -5.959 13.108 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.170 -5.461 15.475 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.766 -6.159 15.108 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.319 -4.566 14.453 1.00 0.00 H new ATOM 760 N ASP A 49 5.592 -8.501 11.585 1.00 0.00 N ATOM 761 CA ASP A 49 5.054 -9.435 10.603 1.00 0.00 C ATOM 762 C ASP A 49 3.716 -8.942 10.059 1.00 0.00 C ATOM 763 O ASP A 49 3.179 -9.500 9.102 1.00 0.00 O ATOM 764 CB ASP A 49 4.884 -10.822 11.227 1.00 0.00 C ATOM 765 CG ASP A 49 6.209 -11.442 11.627 1.00 0.00 C ATOM 766 OD1 ASP A 49 7.127 -11.479 10.781 1.00 0.00 O ATOM 767 OD2 ASP A 49 6.327 -11.890 12.786 1.00 0.00 O ATOM 0 H ASP A 49 5.714 -8.894 12.518 1.00 0.00 H new ATOM 0 HA ASP A 49 5.760 -9.500 9.776 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.242 -10.746 12.104 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.379 -11.477 10.517 1.00 0.00 H new ATOM 772 N THR A 50 3.183 -7.892 10.676 1.00 0.00 N ATOM 773 CA THR A 50 1.908 -7.325 10.256 1.00 0.00 C ATOM 774 C THR A 50 2.058 -5.856 9.878 1.00 0.00 C ATOM 775 O THR A 50 1.383 -5.365 8.972 1.00 0.00 O ATOM 776 CB THR A 50 0.844 -7.453 11.362 1.00 0.00 C ATOM 777 OG1 THR A 50 1.396 -7.050 12.621 1.00 0.00 O ATOM 778 CG2 THR A 50 0.334 -8.882 11.460 1.00 0.00 C ATOM 0 H THR A 50 3.615 -7.417 11.469 1.00 0.00 H new ATOM 0 HA THR A 50 1.583 -7.891 9.383 1.00 0.00 H new ATOM 0 HB THR A 50 0.007 -6.803 11.108 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.713 -7.132 13.319 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.416 -8.947 12.248 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.111 -9.175 10.509 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.164 -9.549 11.693 1.00 0.00 H new ATOM 786 N LEU A 51 2.947 -5.158 10.576 1.00 0.00 N ATOM 787 CA LEU A 51 3.186 -3.743 10.313 1.00 0.00 C ATOM 788 C LEU A 51 4.373 -3.557 9.373 1.00 0.00 C ATOM 789 O LEU A 51 5.263 -4.405 9.305 1.00 0.00 O ATOM 790 CB LEU A 51 3.436 -2.995 11.623 1.00 0.00 C ATOM 791 CG LEU A 51 2.388 -3.192 12.719 1.00 0.00 C ATOM 792 CD1 LEU A 51 2.862 -2.579 14.027 1.00 0.00 C ATOM 793 CD2 LEU A 51 1.056 -2.589 12.297 1.00 0.00 C ATOM 0 H LEU A 51 3.514 -5.549 11.328 1.00 0.00 H new ATOM 0 HA LEU A 51 2.298 -3.333 9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.405 -3.304 12.015 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.506 -1.930 11.402 1.00 0.00 H new ATOM 0 HG LEU A 51 2.248 -4.262 12.873 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.103 -2.729 14.795 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.791 -3.057 14.337 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.032 -1.511 13.888 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.322 -2.738 13.089 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.181 -1.522 12.115 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.710 -3.075 11.385 1.00 0.00 H new ATOM 805 N VAL A 52 4.382 -2.441 8.652 1.00 0.00 N ATOM 806 CA VAL A 52 5.461 -2.141 7.719 1.00 0.00 C ATOM 807 C VAL A 52 5.556 -0.644 7.450 1.00 0.00 C ATOM 808 O VAL A 52 4.550 0.012 7.177 1.00 0.00 O ATOM 809 CB VAL A 52 5.269 -2.881 6.382 1.00 0.00 C ATOM 810 CG1 VAL A 52 6.227 -2.342 5.330 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.458 -4.378 6.570 1.00 0.00 C ATOM 0 H VAL A 52 3.653 -1.729 8.696 1.00 0.00 H new ATOM 0 HA VAL A 52 6.385 -2.482 8.185 1.00 0.00 H new ATOM 0 HB VAL A 52 4.251 -2.707 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.076 -2.877 4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.038 -1.280 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.254 -2.483 5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.319 -4.885 5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.464 -4.574 6.942 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.727 -4.750 7.288 1.00 0.00 H new ATOM 821 N GLU A 53 6.770 -0.109 7.527 1.00 0.00 N ATOM 822 CA GLU A 53 6.995 1.312 7.292 1.00 0.00 C ATOM 823 C GLU A 53 7.143 1.600 5.801 1.00 0.00 C ATOM 824 O GLU A 53 8.008 1.036 5.131 1.00 0.00 O ATOM 825 CB GLU A 53 8.244 1.785 8.040 1.00 0.00 C ATOM 826 CG GLU A 53 8.228 3.266 8.376 1.00 0.00 C ATOM 827 CD GLU A 53 9.286 3.645 9.394 1.00 0.00 C ATOM 828 OE1 GLU A 53 10.477 3.696 9.021 1.00 0.00 O ATOM 829 OE2 GLU A 53 8.924 3.890 10.564 1.00 0.00 O ATOM 0 H GLU A 53 7.613 -0.638 7.750 1.00 0.00 H new ATOM 0 HA GLU A 53 6.128 1.857 7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.343 1.213 8.962 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.124 1.568 7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.383 3.843 7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.245 3.537 8.761 1.00 0.00 H new ATOM 836 N VAL A 54 6.291 2.482 5.287 1.00 0.00 N ATOM 837 CA VAL A 54 6.326 2.846 3.876 1.00 0.00 C ATOM 838 C VAL A 54 6.474 4.354 3.701 1.00 0.00 C ATOM 839 O VAL A 54 6.233 5.125 4.631 1.00 0.00 O ATOM 840 CB VAL A 54 5.054 2.378 3.144 1.00 0.00 C ATOM 841 CG1 VAL A 54 5.098 0.877 2.905 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.812 2.764 3.933 1.00 0.00 C ATOM 0 H VAL A 54 5.568 2.957 5.827 1.00 0.00 H new ATOM 0 HA VAL A 54 7.191 2.346 3.441 1.00 0.00 H new ATOM 0 HB VAL A 54 5.010 2.875 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.191 0.564 2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.967 0.631 2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.167 0.358 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.923 2.425 3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.846 2.296 4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.776 3.847 4.047 1.00 0.00 H new ATOM 852 N LEU A 55 6.870 4.768 2.503 1.00 0.00 N ATOM 853 CA LEU A 55 7.050 6.185 2.204 1.00 0.00 C ATOM 854 C LEU A 55 6.127 6.624 1.072 1.00 0.00 C ATOM 855 O LEU A 55 6.190 6.092 -0.037 1.00 0.00 O ATOM 856 CB LEU A 55 8.506 6.466 1.828 1.00 0.00 C ATOM 857 CG LEU A 55 8.759 7.750 1.038 1.00 0.00 C ATOM 858 CD1 LEU A 55 8.352 8.968 1.852 1.00 0.00 C ATOM 859 CD2 LEU A 55 10.222 7.845 0.629 1.00 0.00 C ATOM 0 H LEU A 55 7.073 4.143 1.723 1.00 0.00 H new ATOM 0 HA LEU A 55 6.795 6.755 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.096 6.504 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.878 5.624 1.244 1.00 0.00 H new ATOM 0 HG LEU A 55 8.150 7.723 0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.540 9.872 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.291 8.906 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.933 9.000 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.384 8.765 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.849 7.849 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.482 6.989 0.006 1.00 0.00 H new ATOM 871 N LEU A 56 5.272 7.599 1.358 1.00 0.00 N ATOM 872 CA LEU A 56 4.336 8.113 0.363 1.00 0.00 C ATOM 873 C LEU A 56 5.041 9.045 -0.617 1.00 0.00 C ATOM 874 O LEU A 56 4.560 10.141 -0.903 1.00 0.00 O ATOM 875 CB LEU A 56 3.186 8.851 1.049 1.00 0.00 C ATOM 876 CG LEU A 56 2.506 8.111 2.202 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.472 9.002 2.872 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.863 6.825 1.705 1.00 0.00 C ATOM 0 H LEU A 56 5.207 8.050 2.271 1.00 0.00 H new ATOM 0 HA LEU A 56 3.935 7.266 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.564 9.801 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.431 9.084 0.298 1.00 0.00 H new ATOM 0 HG LEU A 56 3.265 7.852 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.999 8.459 3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.960 9.895 3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.715 9.293 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.384 6.312 2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.116 7.061 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.627 6.179 1.273 1.00 0.00 H new ATOM 890 N TYR A 57 6.183 8.600 -1.131 1.00 0.00 N ATOM 891 CA TYR A 57 6.955 9.395 -2.079 1.00 0.00 C ATOM 892 C TYR A 57 6.035 10.215 -2.978 1.00 0.00 C ATOM 893 O TYR A 57 6.329 11.366 -3.301 1.00 0.00 O ATOM 894 CB TYR A 57 7.843 8.488 -2.932 1.00 0.00 C ATOM 895 CG TYR A 57 7.078 7.415 -3.674 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.564 7.651 -4.943 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.870 6.164 -3.106 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.864 6.674 -5.623 1.00 0.00 C ATOM 899 CE2 TYR A 57 6.173 5.180 -3.780 1.00 0.00 C ATOM 900 CZ TYR A 57 5.671 5.440 -5.038 1.00 0.00 C ATOM 901 OH TYR A 57 4.976 4.464 -5.713 1.00 0.00 O ATOM 0 H TYR A 57 6.594 7.694 -0.907 1.00 0.00 H new ATOM 0 HA TYR A 57 7.585 10.080 -1.512 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.386 9.099 -3.653 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.587 8.015 -2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.715 8.615 -5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.260 5.957 -2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.470 6.875 -6.608 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.022 4.213 -3.324 1.00 0.00 H new ATOM 0 HH TYR A 57 5.608 3.847 -6.137 1.00 0.00 H new ATOM 911 N ASP A 58 4.919 9.614 -3.378 1.00 0.00 N ATOM 912 CA ASP A 58 3.954 10.288 -4.238 1.00 0.00 C ATOM 913 C ASP A 58 3.636 11.683 -3.709 1.00 0.00 C ATOM 914 O ASP A 58 3.707 12.668 -4.444 1.00 0.00 O ATOM 915 CB ASP A 58 2.670 9.464 -4.343 1.00 0.00 C ATOM 916 CG ASP A 58 2.934 8.029 -4.754 1.00 0.00 C ATOM 917 OD1 ASP A 58 3.362 7.234 -3.892 1.00 0.00 O ATOM 918 OD2 ASP A 58 2.715 7.701 -5.940 1.00 0.00 O ATOM 0 H ASP A 58 4.661 8.661 -3.120 1.00 0.00 H new ATOM 0 HA ASP A 58 4.395 10.387 -5.230 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.156 9.475 -3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.002 9.929 -5.068 1.00 0.00 H new ATOM 923 N VAL A 59 3.283 11.760 -2.430 1.00 0.00 N ATOM 924 CA VAL A 59 2.954 13.034 -1.802 1.00 0.00 C ATOM 925 C VAL A 59 4.149 13.596 -1.041 1.00 0.00 C ATOM 926 O VAL A 59 4.467 14.780 -1.149 1.00 0.00 O ATOM 927 CB VAL A 59 1.764 12.892 -0.835 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.523 12.424 -1.580 1.00 0.00 C ATOM 929 CG2 VAL A 59 2.108 11.936 0.297 1.00 0.00 C ATOM 0 H VAL A 59 3.217 10.954 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 59 2.681 13.721 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 59 1.552 13.870 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.307 12.329 -0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.266 13.150 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.719 11.457 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.256 11.848 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.348 10.956 -0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.967 12.318 0.848 1.00 0.00 H new ATOM 939 N GLY A 60 4.810 12.738 -0.269 1.00 0.00 N ATOM 940 CA GLY A 60 5.964 13.168 0.499 1.00 0.00 C ATOM 941 C GLY A 60 5.724 13.094 1.994 1.00 0.00 C ATOM 942 O GLY A 60 6.008 14.045 2.723 1.00 0.00 O ATOM 0 H GLY A 60 4.567 11.753 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.821 12.546 0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.218 14.192 0.225 1.00 0.00 H new ATOM 946 N VAL A 61 5.199 11.963 2.453 1.00 0.00 N ATOM 947 CA VAL A 61 4.921 11.769 3.871 1.00 0.00 C ATOM 948 C VAL A 61 5.366 10.387 4.335 1.00 0.00 C ATOM 949 O VAL A 61 4.972 9.372 3.760 1.00 0.00 O ATOM 950 CB VAL A 61 3.422 11.943 4.178 1.00 0.00 C ATOM 951 CG1 VAL A 61 3.097 11.420 5.569 1.00 0.00 C ATOM 952 CG2 VAL A 61 3.017 13.403 4.040 1.00 0.00 C ATOM 0 H VAL A 61 4.957 11.167 1.863 1.00 0.00 H new ATOM 0 HA VAL A 61 5.486 12.529 4.411 1.00 0.00 H new ATOM 0 HB VAL A 61 2.851 11.361 3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.033 11.552 5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.349 10.361 5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.676 11.972 6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.955 13.508 4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.594 14.008 4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.211 13.740 3.022 1.00 0.00 H new ATOM 962 N GLU A 62 6.189 10.354 5.378 1.00 0.00 N ATOM 963 CA GLU A 62 6.688 9.095 5.918 1.00 0.00 C ATOM 964 C GLU A 62 5.743 8.549 6.985 1.00 0.00 C ATOM 965 O GLU A 62 5.486 9.203 7.997 1.00 0.00 O ATOM 966 CB GLU A 62 8.086 9.286 6.509 1.00 0.00 C ATOM 967 CG GLU A 62 9.102 9.816 5.511 1.00 0.00 C ATOM 968 CD GLU A 62 10.304 10.451 6.182 1.00 0.00 C ATOM 969 OE1 GLU A 62 10.103 11.311 7.065 1.00 0.00 O ATOM 970 OE2 GLU A 62 11.444 10.088 5.825 1.00 0.00 O ATOM 0 H GLU A 62 6.524 11.185 5.866 1.00 0.00 H new ATOM 0 HA GLU A 62 6.742 8.375 5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.024 9.974 7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.439 8.332 6.902 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.437 8.999 4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.621 10.551 4.865 1.00 0.00 H new ATOM 977 N LEU A 63 5.229 7.347 6.751 1.00 0.00 N ATOM 978 CA LEU A 63 4.312 6.711 7.691 1.00 0.00 C ATOM 979 C LEU A 63 4.426 5.192 7.621 1.00 0.00 C ATOM 980 O LEU A 63 5.166 4.652 6.798 1.00 0.00 O ATOM 981 CB LEU A 63 2.873 7.140 7.399 1.00 0.00 C ATOM 982 CG LEU A 63 2.077 6.227 6.466 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.628 6.682 6.382 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.710 6.196 5.082 1.00 0.00 C ATOM 0 H LEU A 63 5.431 6.793 5.919 1.00 0.00 H new ATOM 0 HA LEU A 63 4.583 7.031 8.697 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.338 7.214 8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.894 8.140 6.966 1.00 0.00 H new ATOM 0 HG LEU A 63 2.096 5.217 6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.077 6.020 5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.179 6.651 7.375 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.588 7.701 5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.130 5.541 4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.723 7.203 4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.731 5.821 5.157 1.00 0.00 H new ATOM 996 N VAL A 64 3.687 4.507 8.487 1.00 0.00 N ATOM 997 CA VAL A 64 3.702 3.049 8.521 1.00 0.00 C ATOM 998 C VAL A 64 2.288 2.486 8.614 1.00 0.00 C ATOM 999 O VAL A 64 1.523 2.847 9.508 1.00 0.00 O ATOM 1000 CB VAL A 64 4.531 2.524 9.708 1.00 0.00 C ATOM 1001 CG1 VAL A 64 4.057 3.152 11.010 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.456 1.006 9.780 1.00 0.00 C ATOM 0 H VAL A 64 3.070 4.938 9.175 1.00 0.00 H new ATOM 0 HA VAL A 64 4.162 2.716 7.591 1.00 0.00 H new ATOM 0 HB VAL A 64 5.572 2.807 9.555 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.654 2.769 11.837 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.168 4.235 10.953 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.009 2.903 11.174 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.047 0.652 10.624 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.418 0.699 9.910 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.849 0.578 8.858 1.00 0.00 H new ATOM 1012 N VAL A 65 1.948 1.599 7.685 1.00 0.00 N ATOM 1013 CA VAL A 65 0.626 0.984 7.662 1.00 0.00 C ATOM 1014 C VAL A 65 0.723 -0.531 7.794 1.00 0.00 C ATOM 1015 O VAL A 65 1.805 -1.106 7.685 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.131 1.328 6.366 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.106 2.828 6.115 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.462 0.572 5.186 1.00 0.00 C ATOM 0 H VAL A 65 2.570 1.290 6.938 1.00 0.00 H new ATOM 0 HA VAL A 65 0.075 1.386 8.513 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.170 1.020 6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.646 3.052 5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.581 3.344 6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.927 3.164 6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.085 0.827 4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.510 0.847 5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.386 -0.500 5.366 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.417 -1.173 8.030 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.461 -2.624 8.177 1.00 0.00 C ATOM 1030 C ASN A 66 -0.495 -3.308 6.814 1.00 0.00 C ATOM 1031 O ASN A 66 -1.251 -2.911 5.927 1.00 0.00 O ATOM 1032 CB ASN A 66 -1.684 -3.037 8.999 1.00 0.00 C ATOM 1033 CG ASN A 66 -1.530 -4.415 9.612 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -0.539 -4.700 10.285 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.512 -5.278 9.381 1.00 0.00 N ATOM 0 H ASN A 66 -1.322 -0.712 8.123 1.00 0.00 H new ATOM 0 HA ASN A 66 0.442 -2.939 8.699 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.850 -2.307 9.791 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.568 -3.023 8.362 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.464 -6.221 9.767 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.315 -4.998 8.817 1.00 0.00 H new ATOM 1042 N VAL A 67 0.328 -4.339 6.655 1.00 0.00 N ATOM 1043 CA VAL A 67 0.391 -5.081 5.401 1.00 0.00 C ATOM 1044 C VAL A 67 -1.005 -5.429 4.897 1.00 0.00 C ATOM 1045 O VAL A 67 -1.229 -5.552 3.693 1.00 0.00 O ATOM 1046 CB VAL A 67 1.207 -6.378 5.556 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.684 -6.061 5.740 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.681 -7.201 6.722 1.00 0.00 C ATOM 0 H VAL A 67 0.961 -4.680 7.379 1.00 0.00 H new ATOM 0 HA VAL A 67 0.885 -4.434 4.676 1.00 0.00 H new ATOM 0 HB VAL A 67 1.097 -6.967 4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.245 -6.989 5.848 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.050 -5.515 4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.817 -5.451 6.634 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.269 -8.114 6.817 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.760 -6.621 7.642 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.363 -7.459 6.544 1.00 0.00 H new ATOM 1058 N ASP A 68 -1.941 -5.586 5.827 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.317 -5.918 5.478 1.00 0.00 C ATOM 1060 C ASP A 68 -3.912 -4.865 4.548 1.00 0.00 C ATOM 1061 O ASP A 68 -4.675 -5.187 3.637 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.171 -6.042 6.741 1.00 0.00 C ATOM 1063 CG ASP A 68 -5.404 -6.896 6.525 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -5.872 -6.981 5.370 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -5.903 -7.479 7.511 1.00 0.00 O ATOM 0 H ASP A 68 -1.772 -5.489 6.828 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.312 -6.875 4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.570 -6.473 7.542 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.474 -5.048 7.070 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.558 -3.607 4.785 1.00 0.00 N ATOM 1071 CA CYS A 69 -4.058 -2.506 3.970 1.00 0.00 C ATOM 1072 C CYS A 69 -3.272 -2.393 2.667 1.00 0.00 C ATOM 1073 O CYS A 69 -3.823 -2.033 1.626 1.00 0.00 O ATOM 1074 CB CYS A 69 -3.974 -1.190 4.746 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.403 -0.865 5.804 1.00 0.00 S ATOM 0 H CYS A 69 -2.927 -3.324 5.535 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.101 -2.711 3.728 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.075 -1.200 5.362 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.866 -0.369 4.037 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.238 0.268 6.420 1.00 0.00 H new ATOM 1081 N LEU A 70 -1.982 -2.701 2.732 1.00 0.00 N ATOM 1082 CA LEU A 70 -1.119 -2.633 1.558 1.00 0.00 C ATOM 1083 C LEU A 70 -1.657 -3.513 0.434 1.00 0.00 C ATOM 1084 O LEU A 70 -2.315 -4.523 0.685 1.00 0.00 O ATOM 1085 CB LEU A 70 0.304 -3.064 1.921 1.00 0.00 C ATOM 1086 CG LEU A 70 1.123 -2.059 2.732 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.464 -2.658 3.125 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.321 -0.772 1.945 1.00 0.00 C ATOM 0 H LEU A 70 -1.510 -3.000 3.585 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.102 -1.600 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.248 -3.995 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.843 -3.282 0.999 1.00 0.00 H new ATOM 0 HG LEU A 70 0.573 -1.822 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.033 -1.929 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.301 -3.551 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.021 -2.925 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.906 -0.069 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.849 -0.991 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.350 -0.333 1.715 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.372 -3.123 -0.804 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.827 -3.876 -1.966 1.00 0.00 C ATOM 1102 C ARG A 71 -0.770 -3.870 -3.066 1.00 0.00 C ATOM 1103 O ARG A 71 -0.005 -2.915 -3.201 1.00 0.00 O ATOM 1104 CB ARG A 71 -3.137 -3.292 -2.498 1.00 0.00 C ATOM 1105 CG ARG A 71 -4.351 -3.652 -1.658 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.752 -5.106 -1.853 1.00 0.00 C ATOM 1107 NE ARG A 71 -5.379 -5.666 -0.659 1.00 0.00 N ATOM 1108 CZ ARG A 71 -6.655 -5.476 -0.341 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -7.435 -4.745 -1.126 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -7.153 -6.018 0.762 1.00 0.00 N ATOM 0 H ARG A 71 -0.828 -2.290 -1.028 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.997 -4.907 -1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.048 -2.207 -2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.294 -3.644 -3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.133 -3.472 -0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.186 -3.004 -1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.441 -5.182 -2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.871 -5.694 -2.109 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.806 -6.234 -0.035 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.056 -4.327 -1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.414 -4.600 -0.880 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.556 -6.582 1.368 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.133 -5.871 1.005 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.733 -4.942 -3.850 1.00 0.00 N ATOM 1125 CA LYS A 72 0.229 -5.060 -4.940 1.00 0.00 C ATOM 1126 C LYS A 72 -0.056 -4.033 -6.031 1.00 0.00 C ATOM 1127 O LYS A 72 -1.198 -3.869 -6.460 1.00 0.00 O ATOM 1128 CB LYS A 72 0.190 -6.472 -5.530 1.00 0.00 C ATOM 1129 CG LYS A 72 0.920 -7.504 -4.688 1.00 0.00 C ATOM 1130 CD LYS A 72 2.405 -7.536 -5.010 1.00 0.00 C ATOM 1131 CE LYS A 72 2.705 -8.487 -6.158 1.00 0.00 C ATOM 1132 NZ LYS A 72 2.381 -9.898 -5.810 1.00 0.00 N ATOM 0 H LYS A 72 -1.358 -5.742 -3.751 1.00 0.00 H new ATOM 0 HA LYS A 72 1.223 -4.868 -4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.849 -6.780 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.630 -6.452 -6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.781 -7.277 -3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.488 -8.489 -4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.744 -6.533 -5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.964 -7.843 -4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.131 -8.189 -7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.759 -8.412 -6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.993 -10.539 -6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.538 -10.050 -4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.385 -10.092 -6.039 1.00 0.00 H new ATOM 1146 N LEU A 73 0.990 -3.346 -6.477 1.00 0.00 N ATOM 1147 CA LEU A 73 0.853 -2.335 -7.520 1.00 0.00 C ATOM 1148 C LEU A 73 1.114 -2.936 -8.897 1.00 0.00 C ATOM 1149 O LEU A 73 2.256 -3.001 -9.350 1.00 0.00 O ATOM 1150 CB LEU A 73 1.819 -1.177 -7.265 1.00 0.00 C ATOM 1151 CG LEU A 73 1.465 0.152 -7.934 1.00 0.00 C ATOM 1152 CD1 LEU A 73 0.570 0.984 -7.029 1.00 0.00 C ATOM 1153 CD2 LEU A 73 2.728 0.922 -8.293 1.00 0.00 C ATOM 0 H LEU A 73 1.942 -3.470 -6.133 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.170 -1.959 -7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.883 -1.014 -6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.811 -1.477 -7.601 1.00 0.00 H new ATOM 0 HG LEU A 73 0.920 -0.060 -8.853 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.329 1.926 -7.522 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.350 0.436 -6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.088 1.187 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.457 1.865 -8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.301 1.123 -7.388 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.332 0.330 -8.981 1.00 0.00 H new ATOM 1165 N GLU A 74 0.046 -3.372 -9.559 1.00 0.00 N ATOM 1166 CA GLU A 74 0.160 -3.966 -10.886 1.00 0.00 C ATOM 1167 C GLU A 74 0.545 -2.913 -11.922 1.00 0.00 C ATOM 1168 O GLU A 74 0.378 -1.715 -11.695 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.158 -4.632 -11.286 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.360 -3.708 -11.193 1.00 0.00 C ATOM 1171 CD GLU A 74 -3.619 -4.329 -11.766 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -3.919 -5.490 -11.417 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -4.304 -3.655 -12.564 1.00 0.00 O ATOM 0 H GLU A 74 -0.907 -3.325 -9.198 1.00 0.00 H new ATOM 0 HA GLU A 74 0.945 -4.722 -10.852 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.073 -5.002 -12.308 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.326 -5.498 -10.646 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.532 -3.445 -10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.143 -2.781 -11.723 1.00 0.00 H new ATOM 1180 N GLU A 75 1.062 -3.371 -13.058 1.00 0.00 N ATOM 1181 CA GLU A 75 1.473 -2.469 -14.127 1.00 0.00 C ATOM 1182 C GLU A 75 0.261 -1.795 -14.765 1.00 0.00 C ATOM 1183 O GLU A 75 0.306 -0.616 -15.114 1.00 0.00 O ATOM 1184 CB GLU A 75 2.265 -3.231 -15.191 1.00 0.00 C ATOM 1185 CG GLU A 75 3.756 -3.299 -14.907 1.00 0.00 C ATOM 1186 CD GLU A 75 4.080 -4.140 -13.688 1.00 0.00 C ATOM 1187 OE1 GLU A 75 3.903 -3.639 -12.558 1.00 0.00 O ATOM 1188 OE2 GLU A 75 4.511 -5.299 -13.864 1.00 0.00 O ATOM 0 H GLU A 75 1.206 -4.360 -13.261 1.00 0.00 H new ATOM 0 HA GLU A 75 2.110 -1.698 -13.693 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.872 -4.245 -15.268 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.109 -2.754 -16.159 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.269 -3.712 -15.776 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.140 -2.290 -14.760 1.00 0.00 H new ATOM 1195 N ASN A 76 -0.820 -2.553 -14.914 1.00 0.00 N ATOM 1196 CA ASN A 76 -2.044 -2.030 -15.511 1.00 0.00 C ATOM 1197 C ASN A 76 -2.397 -0.667 -14.923 1.00 0.00 C ATOM 1198 O ASN A 76 -2.508 0.323 -15.647 1.00 0.00 O ATOM 1199 CB ASN A 76 -3.201 -3.007 -15.292 1.00 0.00 C ATOM 1200 CG ASN A 76 -3.318 -4.024 -16.411 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -2.338 -4.334 -17.089 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -4.522 -4.548 -16.610 1.00 0.00 N ATOM 0 H ASN A 76 -0.874 -3.531 -14.630 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.875 -1.912 -16.581 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.059 -3.528 -14.345 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.134 -2.449 -15.213 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.663 -5.237 -17.349 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.306 -4.262 -16.024 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.571 -0.624 -13.607 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.910 0.617 -12.920 1.00 0.00 C ATOM 1211 C LEU A 77 -1.798 1.649 -13.079 1.00 0.00 C ATOM 1212 O LEU A 77 -2.058 2.849 -13.168 1.00 0.00 O ATOM 1213 CB LEU A 77 -3.165 0.349 -11.436 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.078 -0.834 -11.115 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -3.904 -1.266 -9.667 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -5.531 -0.478 -11.396 1.00 0.00 C ATOM 0 H LEU A 77 -2.483 -1.435 -12.994 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.818 1.017 -13.371 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.205 0.184 -10.947 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.598 1.247 -10.994 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.798 -1.669 -11.758 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.562 -2.109 -9.457 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.869 -1.563 -9.498 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.156 -0.436 -9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.167 -1.332 -11.162 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.823 0.372 -10.779 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.645 -0.219 -12.449 1.00 0.00 H new