USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -159:sc= -0.12 (180deg=-0.714) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0659) USER MOD Single : A 4 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 5 GLN : amide:sc= -0.881 K(o=-0.88,f=-1.5) USER MOD Single : A 17 ASN : amide:sc= 0.101 X(o=0.1,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -106:sc= -0.257 (180deg=-3.46!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0366 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00282 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 170:sc= -2.74! USER MOD Single : A 44 MET CE :methyl -178:sc= -4.9! (180deg=-4.95!) USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= -0.0151 (180deg=-0.124) USER MOD Single : A 65 LYS NZ :NH3+ -133:sc= 0.598 (180deg=-0.0727) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -176:sc= 0.328 (180deg=0.256) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.58! USER MOD Single : A 74 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0808) USER MOD Single : A 76 TYR OH : rot 90:sc= 0.448 USER MOD Single : A 80 HIS : no HD1:sc= -0.0335 X(o=-0.034,f=-0.00063) USER MOD Single : A 81 GLN : amide:sc= -0.43! C(o=-0.43!,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.984 5.589 -4.943 1.00 0.00 N ATOM 2 CA MET A 1 15.594 4.397 -4.315 1.00 0.00 C ATOM 3 C MET A 1 14.783 3.991 -3.097 1.00 0.00 C ATOM 4 O MET A 1 13.829 3.227 -3.211 1.00 0.00 O ATOM 5 CB MET A 1 17.043 4.673 -3.904 1.00 0.00 C ATOM 6 CG MET A 1 17.987 4.877 -5.075 1.00 0.00 C ATOM 7 SD MET A 1 18.189 3.385 -6.067 1.00 0.00 S ATOM 8 CE MET A 1 18.978 2.293 -4.882 1.00 0.00 C ATOM 0 H1 MET A 1 15.445 5.775 -5.856 1.00 0.00 H new ATOM 0 H2 MET A 1 13.969 5.420 -5.096 1.00 0.00 H new ATOM 0 H3 MET A 1 15.108 6.412 -4.319 1.00 0.00 H new ATOM 0 HA MET A 1 15.594 3.586 -5.043 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.068 5.560 -3.271 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.404 3.840 -3.300 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.609 5.681 -5.707 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.960 5.196 -4.702 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.497 1.494 -5.412 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.695 2.859 -4.287 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.222 1.861 -4.226 1.00 0.00 H new ATOM 20 N ALA A 2 15.152 4.518 -1.936 1.00 0.00 N ATOM 21 CA ALA A 2 14.374 4.308 -0.730 1.00 0.00 C ATOM 22 C ALA A 2 13.435 5.485 -0.524 1.00 0.00 C ATOM 23 O ALA A 2 13.861 6.640 -0.561 1.00 0.00 O ATOM 24 CB ALA A 2 15.286 4.129 0.475 1.00 0.00 C ATOM 0 H ALA A 2 15.985 5.093 -1.808 1.00 0.00 H new ATOM 0 HA ALA A 2 13.786 3.397 -0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 2 14.682 3.973 1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 2 15.931 3.265 0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.899 5.021 0.603 1.00 0.00 H new ATOM 30 N ALA A 3 12.165 5.195 -0.325 1.00 0.00 N ATOM 31 CA ALA A 3 11.160 6.228 -0.191 1.00 0.00 C ATOM 32 C ALA A 3 10.623 6.256 1.225 1.00 0.00 C ATOM 33 O ALA A 3 10.396 5.208 1.832 1.00 0.00 O ATOM 34 CB ALA A 3 10.033 5.997 -1.181 1.00 0.00 C ATOM 0 H ALA A 3 11.803 4.244 -0.252 1.00 0.00 H new ATOM 0 HA ALA A 3 11.619 7.193 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.284 6.781 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.430 6.017 -2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.574 5.027 -0.990 1.00 0.00 H new ATOM 40 N THR A 4 10.431 7.450 1.747 1.00 0.00 N ATOM 41 CA THR A 4 9.914 7.614 3.088 1.00 0.00 C ATOM 42 C THR A 4 8.386 7.555 3.076 1.00 0.00 C ATOM 43 O THR A 4 7.782 7.259 2.042 1.00 0.00 O ATOM 44 CB THR A 4 10.395 8.937 3.712 1.00 0.00 C ATOM 45 OG1 THR A 4 11.608 9.363 3.073 1.00 0.00 O ATOM 46 CG2 THR A 4 10.653 8.750 5.201 1.00 0.00 C ATOM 0 H THR A 4 10.627 8.324 1.259 1.00 0.00 H new ATOM 0 HA THR A 4 10.295 6.797 3.700 1.00 0.00 H new ATOM 0 HB THR A 4 9.622 9.692 3.571 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.393 9.807 2.226 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.993 9.692 5.632 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.732 8.437 5.693 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.419 7.988 5.345 1.00 0.00 H new ATOM 54 N GLN A 5 7.770 7.857 4.211 1.00 0.00 N ATOM 55 CA GLN A 5 6.337 7.663 4.395 1.00 0.00 C ATOM 56 C GLN A 5 5.516 8.389 3.327 1.00 0.00 C ATOM 57 O GLN A 5 4.740 7.770 2.610 1.00 0.00 O ATOM 58 CB GLN A 5 5.923 8.154 5.780 1.00 0.00 C ATOM 59 CG GLN A 5 4.527 7.725 6.188 1.00 0.00 C ATOM 60 CD GLN A 5 4.086 8.367 7.485 1.00 0.00 C ATOM 61 OE1 GLN A 5 4.349 7.853 8.569 1.00 0.00 O ATOM 62 NE2 GLN A 5 3.390 9.489 7.381 1.00 0.00 N ATOM 0 H GLN A 5 8.246 8.242 5.027 1.00 0.00 H new ATOM 0 HA GLN A 5 6.136 6.596 4.300 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.637 7.783 6.515 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.980 9.242 5.802 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.823 7.987 5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.499 6.641 6.294 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.193 9.883 6.461 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.051 9.959 8.221 1.00 0.00 H new ATOM 71 N GLU A 6 5.717 9.691 3.200 1.00 0.00 N ATOM 72 CA GLU A 6 4.915 10.502 2.291 1.00 0.00 C ATOM 73 C GLU A 6 5.191 10.147 0.830 1.00 0.00 C ATOM 74 O GLU A 6 4.279 10.139 0.002 1.00 0.00 O ATOM 75 CB GLU A 6 5.152 12.000 2.530 1.00 0.00 C ATOM 76 CG GLU A 6 6.620 12.413 2.580 1.00 0.00 C ATOM 77 CD GLU A 6 7.239 12.203 3.948 1.00 0.00 C ATOM 78 OE1 GLU A 6 7.704 11.076 4.232 1.00 0.00 O ATOM 79 OE2 GLU A 6 7.253 13.160 4.744 1.00 0.00 O ATOM 0 H GLU A 6 6.428 10.211 3.714 1.00 0.00 H new ATOM 0 HA GLU A 6 3.868 10.280 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.657 12.563 1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.677 12.284 3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.180 11.841 1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.708 13.464 2.303 1.00 0.00 H new ATOM 86 N GLU A 7 6.442 9.834 0.526 1.00 0.00 N ATOM 87 CA GLU A 7 6.841 9.493 -0.834 1.00 0.00 C ATOM 88 C GLU A 7 6.155 8.207 -1.289 1.00 0.00 C ATOM 89 O GLU A 7 5.510 8.161 -2.341 1.00 0.00 O ATOM 90 CB GLU A 7 8.357 9.317 -0.899 1.00 0.00 C ATOM 91 CG GLU A 7 9.140 10.552 -0.477 1.00 0.00 C ATOM 92 CD GLU A 7 10.634 10.304 -0.444 1.00 0.00 C ATOM 93 OE1 GLU A 7 11.111 9.697 0.535 1.00 0.00 O ATOM 94 OE2 GLU A 7 11.334 10.705 -1.396 1.00 0.00 O ATOM 0 H GLU A 7 7.202 9.809 1.205 1.00 0.00 H new ATOM 0 HA GLU A 7 6.539 10.303 -1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.644 8.481 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.639 9.051 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.925 11.369 -1.166 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.805 10.872 0.510 1.00 0.00 H new ATOM 101 N ILE A 8 6.291 7.169 -0.479 1.00 0.00 N ATOM 102 CA ILE A 8 5.722 5.873 -0.797 1.00 0.00 C ATOM 103 C ILE A 8 4.196 5.933 -0.700 1.00 0.00 C ATOM 104 O ILE A 8 3.497 5.276 -1.465 1.00 0.00 O ATOM 105 CB ILE A 8 6.305 4.778 0.135 1.00 0.00 C ATOM 106 CG1 ILE A 8 6.127 3.364 -0.452 1.00 0.00 C ATOM 107 CG2 ILE A 8 5.686 4.868 1.519 1.00 0.00 C ATOM 108 CD1 ILE A 8 4.758 2.750 -0.239 1.00 0.00 C ATOM 0 H ILE A 8 6.794 7.202 0.408 1.00 0.00 H new ATOM 0 HA ILE A 8 5.988 5.610 -1.821 1.00 0.00 H new ATOM 0 HB ILE A 8 7.376 4.960 0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.328 3.403 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.876 2.707 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.108 4.092 2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.898 5.847 1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.607 4.730 1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.731 1.757 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.556 2.672 0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.000 3.379 -0.706 1.00 0.00 H new ATOM 120 N VAL A 9 3.688 6.750 0.224 1.00 0.00 N ATOM 121 CA VAL A 9 2.250 6.936 0.383 1.00 0.00 C ATOM 122 C VAL A 9 1.630 7.480 -0.899 1.00 0.00 C ATOM 123 O VAL A 9 0.565 7.027 -1.312 1.00 0.00 O ATOM 124 CB VAL A 9 1.925 7.862 1.588 1.00 0.00 C ATOM 125 CG1 VAL A 9 0.698 8.733 1.335 1.00 0.00 C ATOM 126 CG2 VAL A 9 1.708 7.028 2.841 1.00 0.00 C ATOM 0 H VAL A 9 4.255 7.294 0.874 1.00 0.00 H new ATOM 0 HA VAL A 9 1.812 5.959 0.590 1.00 0.00 H new ATOM 0 HB VAL A 9 2.779 8.526 1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.512 9.362 2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.873 9.363 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.169 8.097 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.481 7.685 3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.876 6.342 2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.611 6.459 3.060 1.00 0.00 H new ATOM 136 N ALA A 10 2.305 8.432 -1.536 1.00 0.00 N ATOM 137 CA ALA A 10 1.839 8.966 -2.811 1.00 0.00 C ATOM 138 C ALA A 10 1.809 7.868 -3.872 1.00 0.00 C ATOM 139 O ALA A 10 0.831 7.731 -4.611 1.00 0.00 O ATOM 140 CB ALA A 10 2.718 10.123 -3.264 1.00 0.00 C ATOM 0 H ALA A 10 3.171 8.847 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 10 0.825 9.342 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.353 10.506 -4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.687 10.917 -2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.744 9.776 -3.382 1.00 0.00 H new ATOM 146 N GLY A 11 2.877 7.076 -3.926 1.00 0.00 N ATOM 147 CA GLY A 11 2.944 5.980 -4.877 1.00 0.00 C ATOM 148 C GLY A 11 1.904 4.914 -4.594 1.00 0.00 C ATOM 149 O GLY A 11 1.271 4.390 -5.512 1.00 0.00 O ATOM 0 H GLY A 11 3.697 7.174 -3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.800 6.367 -5.886 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.938 5.534 -4.845 1.00 0.00 H new ATOM 153 N LEU A 12 1.731 4.595 -3.315 1.00 0.00 N ATOM 154 CA LEU A 12 0.724 3.635 -2.881 1.00 0.00 C ATOM 155 C LEU A 12 -0.666 4.168 -3.237 1.00 0.00 C ATOM 156 O LEU A 12 -1.479 3.459 -3.823 1.00 0.00 O ATOM 157 CB LEU A 12 0.844 3.411 -1.362 1.00 0.00 C ATOM 158 CG LEU A 12 0.717 1.959 -0.867 1.00 0.00 C ATOM 159 CD1 LEU A 12 -0.631 1.370 -1.227 1.00 0.00 C ATOM 160 CD2 LEU A 12 1.834 1.094 -1.424 1.00 0.00 C ATOM 0 H LEU A 12 2.282 4.993 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 12 0.878 2.681 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.809 3.799 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.077 4.008 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 12 0.802 1.977 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.689 0.344 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.422 1.963 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.754 1.379 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.720 0.073 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.788 1.097 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.797 1.490 -1.101 1.00 0.00 H new ATOM 172 N ALA A 13 -0.901 5.436 -2.906 1.00 0.00 N ATOM 173 CA ALA A 13 -2.164 6.113 -3.190 1.00 0.00 C ATOM 174 C ALA A 13 -2.512 6.048 -4.668 1.00 0.00 C ATOM 175 O ALA A 13 -3.625 5.675 -5.044 1.00 0.00 O ATOM 176 CB ALA A 13 -2.078 7.566 -2.756 1.00 0.00 C ATOM 0 H ALA A 13 -0.217 6.025 -2.431 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.949 5.602 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.022 8.066 -2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.876 7.615 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.274 8.061 -3.300 1.00 0.00 H new ATOM 182 N GLU A 14 -1.538 6.417 -5.488 1.00 0.00 N ATOM 183 CA GLU A 14 -1.673 6.407 -6.939 1.00 0.00 C ATOM 184 C GLU A 14 -2.130 5.037 -7.432 1.00 0.00 C ATOM 185 O GLU A 14 -2.914 4.926 -8.373 1.00 0.00 O ATOM 186 CB GLU A 14 -0.321 6.765 -7.563 1.00 0.00 C ATOM 187 CG GLU A 14 -0.305 6.752 -9.080 1.00 0.00 C ATOM 188 CD GLU A 14 1.100 6.869 -9.630 1.00 0.00 C ATOM 189 OE1 GLU A 14 1.573 8.006 -9.833 1.00 0.00 O ATOM 190 OE2 GLU A 14 1.746 5.823 -9.845 1.00 0.00 O ATOM 0 H GLU A 14 -0.625 6.734 -5.163 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.425 7.138 -7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.027 7.756 -7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.430 6.064 -7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.760 5.829 -9.440 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.912 7.575 -9.457 1.00 0.00 H new ATOM 197 N ILE A 15 -1.641 4.001 -6.775 1.00 0.00 N ATOM 198 CA ILE A 15 -1.886 2.643 -7.209 1.00 0.00 C ATOM 199 C ILE A 15 -3.188 2.060 -6.636 1.00 0.00 C ATOM 200 O ILE A 15 -3.855 1.268 -7.300 1.00 0.00 O ATOM 201 CB ILE A 15 -0.661 1.753 -6.894 1.00 0.00 C ATOM 202 CG1 ILE A 15 -0.110 1.181 -8.202 1.00 0.00 C ATOM 203 CG2 ILE A 15 -1.001 0.645 -5.902 1.00 0.00 C ATOM 204 CD1 ILE A 15 1.233 0.508 -8.064 1.00 0.00 C ATOM 0 H ILE A 15 -1.069 4.078 -5.934 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.027 2.663 -8.290 1.00 0.00 H new ATOM 0 HB ILE A 15 0.104 2.366 -6.417 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.825 0.462 -8.601 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.027 1.987 -8.932 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.112 0.044 -5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.350 1.087 -4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.784 0.011 -6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.552 0.130 -9.035 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.964 1.228 -7.696 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.154 -0.321 -7.361 1.00 0.00 H new ATOM 216 N VAL A 16 -3.573 2.452 -5.424 1.00 0.00 N ATOM 217 CA VAL A 16 -4.823 1.951 -4.848 1.00 0.00 C ATOM 218 C VAL A 16 -6.014 2.586 -5.556 1.00 0.00 C ATOM 219 O VAL A 16 -7.117 2.033 -5.575 1.00 0.00 O ATOM 220 CB VAL A 16 -4.946 2.219 -3.335 1.00 0.00 C ATOM 221 CG1 VAL A 16 -6.158 1.496 -2.764 1.00 0.00 C ATOM 222 CG2 VAL A 16 -3.687 1.794 -2.600 1.00 0.00 C ATOM 0 H VAL A 16 -3.053 3.100 -4.832 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.814 0.871 -4.991 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.076 3.292 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.230 1.696 -1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.061 1.851 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.052 0.423 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.802 1.995 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.519 0.728 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.835 2.354 -2.985 1.00 0.00 H new ATOM 232 N ASN A 17 -5.783 3.755 -6.138 1.00 0.00 N ATOM 233 CA ASN A 17 -6.810 4.440 -6.915 1.00 0.00 C ATOM 234 C ASN A 17 -7.200 3.587 -8.116 1.00 0.00 C ATOM 235 O ASN A 17 -8.338 3.628 -8.577 1.00 0.00 O ATOM 236 CB ASN A 17 -6.299 5.809 -7.378 1.00 0.00 C ATOM 237 CG ASN A 17 -7.411 6.706 -7.887 1.00 0.00 C ATOM 238 OD1 ASN A 17 -7.756 6.690 -9.068 1.00 0.00 O ATOM 239 ND2 ASN A 17 -7.971 7.512 -6.996 1.00 0.00 N ATOM 0 H ASN A 17 -4.893 4.250 -6.087 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.689 4.593 -6.288 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.790 6.302 -6.549 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.560 5.669 -8.167 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.716 8.148 -7.281 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.657 7.496 -6.026 1.00 0.00 H new ATOM 246 N GLU A 18 -6.247 2.786 -8.584 1.00 0.00 N ATOM 247 CA GLU A 18 -6.471 1.872 -9.698 1.00 0.00 C ATOM 248 C GLU A 18 -7.363 0.714 -9.263 1.00 0.00 C ATOM 249 O GLU A 18 -8.021 0.076 -10.083 1.00 0.00 O ATOM 250 CB GLU A 18 -5.133 1.317 -10.190 1.00 0.00 C ATOM 251 CG GLU A 18 -4.059 2.382 -10.368 1.00 0.00 C ATOM 252 CD GLU A 18 -4.394 3.394 -11.446 1.00 0.00 C ATOM 253 OE1 GLU A 18 -5.220 4.293 -11.197 1.00 0.00 O ATOM 254 OE2 GLU A 18 -3.816 3.301 -12.551 1.00 0.00 O ATOM 0 H GLU A 18 -5.301 2.753 -8.203 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.961 2.420 -10.503 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.777 0.569 -9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.288 0.807 -11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.913 2.903 -9.422 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.114 1.898 -10.614 1.00 0.00 H new ATOM 261 N ILE A 19 -7.368 0.452 -7.964 1.00 0.00 N ATOM 262 CA ILE A 19 -8.128 -0.651 -7.404 1.00 0.00 C ATOM 263 C ILE A 19 -9.559 -0.228 -7.098 1.00 0.00 C ATOM 264 O ILE A 19 -10.518 -0.858 -7.549 1.00 0.00 O ATOM 265 CB ILE A 19 -7.479 -1.170 -6.104 1.00 0.00 C ATOM 266 CG1 ILE A 19 -6.018 -1.550 -6.347 1.00 0.00 C ATOM 267 CG2 ILE A 19 -8.260 -2.355 -5.564 1.00 0.00 C ATOM 268 CD1 ILE A 19 -5.317 -2.109 -5.128 1.00 0.00 C ATOM 0 H ILE A 19 -6.848 0.995 -7.274 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.133 -1.446 -8.150 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.503 -0.373 -5.361 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.973 -2.287 -7.149 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.477 -0.669 -6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.792 -2.712 -4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.285 -2.050 -5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.265 -3.155 -6.304 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.286 -2.354 -5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.328 -1.367 -4.330 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.832 -3.009 -4.793 1.00 0.00 H new ATOM 280 N ALA A 20 -9.695 0.857 -6.346 1.00 0.00 N ATOM 281 CA ALA A 20 -11.002 1.319 -5.905 1.00 0.00 C ATOM 282 C ALA A 20 -11.168 2.810 -6.168 1.00 0.00 C ATOM 283 O ALA A 20 -11.878 3.208 -7.093 1.00 0.00 O ATOM 284 CB ALA A 20 -11.206 1.000 -4.435 1.00 0.00 C ATOM 0 H ALA A 20 -8.915 1.433 -6.029 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.765 0.793 -6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.188 1.352 -4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.140 -0.078 -4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.436 1.497 -3.845 1.00 0.00 H new ATOM 290 N GLY A 21 -10.524 3.641 -5.356 1.00 0.00 N ATOM 291 CA GLY A 21 -10.550 5.063 -5.628 1.00 0.00 C ATOM 292 C GLY A 21 -10.532 5.949 -4.396 1.00 0.00 C ATOM 293 O GLY A 21 -11.399 6.806 -4.243 1.00 0.00 O ATOM 0 H GLY A 21 -9.994 3.362 -4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.692 5.315 -6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -11.444 5.291 -6.209 1.00 0.00 H new ATOM 297 N ILE A 22 -9.560 5.756 -3.515 1.00 0.00 N ATOM 298 CA ILE A 22 -9.289 6.751 -2.484 1.00 0.00 C ATOM 299 C ILE A 22 -8.448 7.855 -3.110 1.00 0.00 C ATOM 300 O ILE A 22 -7.471 7.565 -3.804 1.00 0.00 O ATOM 301 CB ILE A 22 -8.541 6.160 -1.250 1.00 0.00 C ATOM 302 CG1 ILE A 22 -9.492 5.368 -0.342 1.00 0.00 C ATOM 303 CG2 ILE A 22 -7.848 7.254 -0.450 1.00 0.00 C ATOM 304 CD1 ILE A 22 -10.623 6.193 0.239 1.00 0.00 C ATOM 0 H ILE A 22 -8.955 4.935 -3.491 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.242 7.130 -2.116 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.784 5.476 -1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.915 4.540 -0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.918 4.932 0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.335 6.811 0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.123 7.764 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.589 7.971 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.249 5.560 0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.211 7.005 0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.224 6.608 -0.570 1.00 0.00 H new ATOM 316 N PRO A 23 -8.843 9.124 -2.935 1.00 0.00 N ATOM 317 CA PRO A 23 -8.048 10.260 -3.395 1.00 0.00 C ATOM 318 C PRO A 23 -6.613 10.168 -2.891 1.00 0.00 C ATOM 319 O PRO A 23 -6.379 9.777 -1.746 1.00 0.00 O ATOM 320 CB PRO A 23 -8.756 11.486 -2.797 1.00 0.00 C ATOM 321 CG PRO A 23 -9.769 10.946 -1.837 1.00 0.00 C ATOM 322 CD PRO A 23 -10.092 9.554 -2.295 1.00 0.00 C ATOM 0 HA PRO A 23 -7.982 10.302 -4.482 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.046 12.138 -2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.234 12.080 -3.576 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.375 10.938 -0.821 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.664 11.568 -1.827 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.363 8.906 -1.461 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.929 9.542 -2.993 1.00 0.00 H new ATOM 330 N VAL A 24 -5.656 10.528 -3.740 1.00 0.00 N ATOM 331 CA VAL A 24 -4.241 10.380 -3.410 1.00 0.00 C ATOM 332 C VAL A 24 -3.874 11.127 -2.130 1.00 0.00 C ATOM 333 O VAL A 24 -2.941 10.748 -1.427 1.00 0.00 O ATOM 334 CB VAL A 24 -3.329 10.855 -4.560 1.00 0.00 C ATOM 335 CG1 VAL A 24 -3.477 9.941 -5.767 1.00 0.00 C ATOM 336 CG2 VAL A 24 -3.624 12.301 -4.940 1.00 0.00 C ATOM 0 H VAL A 24 -5.834 10.925 -4.663 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.078 9.314 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.297 10.808 -4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.827 10.290 -6.569 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.198 8.924 -5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.512 9.953 -6.108 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.965 12.605 -5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.662 12.388 -5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.457 12.945 -4.077 1.00 0.00 H new ATOM 346 N GLU A 25 -4.634 12.167 -1.822 1.00 0.00 N ATOM 347 CA GLU A 25 -4.395 12.969 -0.632 1.00 0.00 C ATOM 348 C GLU A 25 -4.965 12.311 0.621 1.00 0.00 C ATOM 349 O GLU A 25 -4.574 12.649 1.736 1.00 0.00 O ATOM 350 CB GLU A 25 -5.012 14.358 -0.805 1.00 0.00 C ATOM 351 CG GLU A 25 -4.321 15.208 -1.858 1.00 0.00 C ATOM 352 CD GLU A 25 -2.858 15.452 -1.545 1.00 0.00 C ATOM 353 OE1 GLU A 25 -2.518 15.636 -0.359 1.00 0.00 O ATOM 354 OE2 GLU A 25 -2.041 15.463 -2.491 1.00 0.00 O ATOM 0 H GLU A 25 -5.427 12.477 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.316 13.054 -0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.063 14.248 -1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.979 14.882 0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.404 14.717 -2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.835 16.166 -1.941 1.00 0.00 H new ATOM 361 N ASP A 26 -5.886 11.372 0.448 1.00 0.00 N ATOM 362 CA ASP A 26 -6.597 10.810 1.592 1.00 0.00 C ATOM 363 C ASP A 26 -5.947 9.524 2.078 1.00 0.00 C ATOM 364 O ASP A 26 -6.326 8.989 3.117 1.00 0.00 O ATOM 365 CB ASP A 26 -8.057 10.539 1.244 1.00 0.00 C ATOM 366 CG ASP A 26 -8.966 10.641 2.457 1.00 0.00 C ATOM 367 OD1 ASP A 26 -9.410 11.767 2.773 1.00 0.00 O ATOM 368 OD2 ASP A 26 -9.243 9.607 3.094 1.00 0.00 O ATOM 0 H ASP A 26 -6.156 10.988 -0.457 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.548 11.548 2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.386 11.249 0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.146 9.544 0.808 1.00 0.00 H new ATOM 373 N VAL A 27 -4.981 9.016 1.325 1.00 0.00 N ATOM 374 CA VAL A 27 -4.278 7.808 1.729 1.00 0.00 C ATOM 375 C VAL A 27 -3.425 8.087 2.956 1.00 0.00 C ATOM 376 O VAL A 27 -2.438 8.818 2.902 1.00 0.00 O ATOM 377 CB VAL A 27 -3.423 7.218 0.588 1.00 0.00 C ATOM 378 CG1 VAL A 27 -2.521 6.098 1.095 1.00 0.00 C ATOM 379 CG2 VAL A 27 -4.331 6.699 -0.511 1.00 0.00 C ATOM 0 H VAL A 27 -4.669 9.417 0.440 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.029 7.058 1.978 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.785 8.008 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.931 5.703 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.853 6.488 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.133 5.301 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.726 6.283 -1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.983 5.924 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.937 7.518 -0.899 1.00 0.00 H new ATOM 389 N LYS A 28 -3.836 7.499 4.062 1.00 0.00 N ATOM 390 CA LYS A 28 -3.230 7.744 5.351 1.00 0.00 C ATOM 391 C LYS A 28 -2.965 6.407 6.007 1.00 0.00 C ATOM 392 O LYS A 28 -3.566 5.405 5.620 1.00 0.00 O ATOM 393 CB LYS A 28 -4.178 8.568 6.228 1.00 0.00 C ATOM 394 CG LYS A 28 -4.569 9.911 5.629 1.00 0.00 C ATOM 395 CD LYS A 28 -5.837 10.455 6.275 1.00 0.00 C ATOM 396 CE LYS A 28 -5.641 10.771 7.748 1.00 0.00 C ATOM 397 NZ LYS A 28 -4.892 12.036 7.954 1.00 0.00 N ATOM 0 H LYS A 28 -4.607 6.832 4.089 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.300 8.299 5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.082 7.987 6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.705 8.738 7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.755 10.623 5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.723 9.802 4.555 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.152 11.357 5.750 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.640 9.726 6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.613 10.843 8.235 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.105 9.951 8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.782 12.212 8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.954 11.960 7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.415 12.824 7.521 1.00 0.00 H new ATOM 411 N LEU A 29 -2.105 6.384 7.006 1.00 0.00 N ATOM 412 CA LEU A 29 -1.783 5.136 7.682 1.00 0.00 C ATOM 413 C LEU A 29 -2.933 4.712 8.591 1.00 0.00 C ATOM 414 O LEU A 29 -2.925 3.622 9.160 1.00 0.00 O ATOM 415 CB LEU A 29 -0.493 5.278 8.502 1.00 0.00 C ATOM 416 CG LEU A 29 0.714 5.856 7.756 1.00 0.00 C ATOM 417 CD1 LEU A 29 1.960 5.746 8.618 1.00 0.00 C ATOM 418 CD2 LEU A 29 0.929 5.161 6.418 1.00 0.00 C ATOM 0 H LEU A 29 -1.619 7.205 7.367 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.629 4.369 6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.701 5.913 9.364 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.221 4.296 8.888 1.00 0.00 H new ATOM 0 HG LEU A 29 0.512 6.908 7.552 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.813 6.159 8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.812 6.301 9.544 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.151 4.698 8.850 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.793 5.597 5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.103 4.098 6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.044 5.290 5.794 1.00 0.00 H new ATOM 430 N ASP A 30 -3.931 5.577 8.695 1.00 0.00 N ATOM 431 CA ASP A 30 -5.029 5.383 9.628 1.00 0.00 C ATOM 432 C ASP A 30 -6.236 4.725 8.963 1.00 0.00 C ATOM 433 O ASP A 30 -7.083 4.145 9.642 1.00 0.00 O ATOM 434 CB ASP A 30 -5.416 6.742 10.222 1.00 0.00 C ATOM 435 CG ASP A 30 -6.534 6.667 11.244 1.00 0.00 C ATOM 436 OD1 ASP A 30 -6.422 5.872 12.202 1.00 0.00 O ATOM 437 OD2 ASP A 30 -7.504 7.446 11.115 1.00 0.00 O ATOM 0 H ASP A 30 -4.002 6.428 8.138 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.700 4.708 10.418 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.538 7.187 10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.719 7.408 9.414 1.00 0.00 H new ATOM 442 N LYS A 31 -6.311 4.776 7.635 1.00 0.00 N ATOM 443 CA LYS A 31 -7.481 4.256 6.951 1.00 0.00 C ATOM 444 C LYS A 31 -7.243 2.803 6.543 1.00 0.00 C ATOM 445 O LYS A 31 -6.126 2.410 6.208 1.00 0.00 O ATOM 446 CB LYS A 31 -7.853 5.159 5.766 1.00 0.00 C ATOM 447 CG LYS A 31 -7.177 4.836 4.449 1.00 0.00 C ATOM 448 CD LYS A 31 -7.111 6.048 3.540 1.00 0.00 C ATOM 449 CE LYS A 31 -8.489 6.489 3.040 1.00 0.00 C ATOM 450 NZ LYS A 31 -9.322 7.143 4.090 1.00 0.00 N ATOM 0 H LYS A 31 -5.590 5.164 7.027 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.337 4.262 7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.932 5.108 5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.615 6.189 6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.169 4.468 4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.720 4.035 3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.642 6.874 4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.475 5.821 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.360 7.180 2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.022 5.620 2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.071 6.490 4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.724 7.389 4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.753 8.007 3.703 1.00 0.00 H new ATOM 464 N SER A 32 -8.284 1.999 6.609 1.00 0.00 N ATOM 465 CA SER A 32 -8.154 0.574 6.376 1.00 0.00 C ATOM 466 C SER A 32 -8.359 0.233 4.906 1.00 0.00 C ATOM 467 O SER A 32 -9.281 0.737 4.271 1.00 0.00 O ATOM 468 CB SER A 32 -9.166 -0.181 7.237 1.00 0.00 C ATOM 469 OG SER A 32 -9.020 0.166 8.603 1.00 0.00 O ATOM 0 H SER A 32 -9.232 2.308 6.823 1.00 0.00 H new ATOM 0 HA SER A 32 -7.143 0.272 6.651 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.178 0.050 6.904 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.027 -1.255 7.113 1.00 0.00 H new ATOM 0 HG SER A 32 -9.678 -0.326 9.138 1.00 0.00 H new ATOM 475 N PHE A 33 -7.487 -0.618 4.371 1.00 0.00 N ATOM 476 CA PHE A 33 -7.619 -1.109 3.001 1.00 0.00 C ATOM 477 C PHE A 33 -8.987 -1.731 2.797 1.00 0.00 C ATOM 478 O PHE A 33 -9.717 -1.373 1.877 1.00 0.00 O ATOM 479 CB PHE A 33 -6.552 -2.166 2.688 1.00 0.00 C ATOM 480 CG PHE A 33 -5.329 -1.649 1.982 1.00 0.00 C ATOM 481 CD1 PHE A 33 -5.445 -0.871 0.843 1.00 0.00 C ATOM 482 CD2 PHE A 33 -4.065 -1.962 2.447 1.00 0.00 C ATOM 483 CE1 PHE A 33 -4.321 -0.412 0.183 1.00 0.00 C ATOM 484 CE2 PHE A 33 -2.936 -1.506 1.791 1.00 0.00 C ATOM 485 CZ PHE A 33 -3.064 -0.730 0.660 1.00 0.00 C ATOM 0 H PHE A 33 -6.676 -0.984 4.869 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.489 -0.258 2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.242 -2.635 3.622 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.004 -2.946 2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.425 -0.620 0.466 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.958 -2.570 3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.425 0.195 -0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.955 -1.758 2.165 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.184 -0.371 0.147 1.00 0.00 H new ATOM 495 N THR A 34 -9.326 -2.654 3.679 1.00 0.00 N ATOM 496 CA THR A 34 -10.561 -3.399 3.572 1.00 0.00 C ATOM 497 C THR A 34 -11.782 -2.482 3.625 1.00 0.00 C ATOM 498 O THR A 34 -12.719 -2.639 2.843 1.00 0.00 O ATOM 499 CB THR A 34 -10.639 -4.454 4.691 1.00 0.00 C ATOM 500 OG1 THR A 34 -10.368 -3.836 5.956 1.00 0.00 O ATOM 501 CG2 THR A 34 -9.635 -5.571 4.446 1.00 0.00 C ATOM 0 H THR A 34 -8.754 -2.905 4.485 1.00 0.00 H new ATOM 0 HA THR A 34 -10.566 -3.898 2.603 1.00 0.00 H new ATOM 0 HB THR A 34 -11.642 -4.880 4.697 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.420 -4.509 6.667 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.706 -6.306 5.248 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.852 -6.052 3.492 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.627 -5.156 4.423 1.00 0.00 H new ATOM 509 N ASP A 35 -11.774 -1.524 4.542 1.00 0.00 N ATOM 510 CA ASP A 35 -12.934 -0.661 4.719 1.00 0.00 C ATOM 511 C ASP A 35 -12.817 0.631 3.917 1.00 0.00 C ATOM 512 O ASP A 35 -13.553 0.842 2.955 1.00 0.00 O ATOM 513 CB ASP A 35 -13.173 -0.335 6.188 1.00 0.00 C ATOM 514 CG ASP A 35 -14.504 0.366 6.387 1.00 0.00 C ATOM 515 OD1 ASP A 35 -15.534 -0.335 6.509 1.00 0.00 O ATOM 516 OD2 ASP A 35 -14.536 1.613 6.386 1.00 0.00 O ATOM 0 H ASP A 35 -10.991 -1.326 5.165 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.789 -1.221 4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.152 -1.253 6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.367 0.298 6.558 1.00 0.00 H new ATOM 521 N ASP A 36 -11.883 1.483 4.323 1.00 0.00 N ATOM 522 CA ASP A 36 -11.753 2.830 3.767 1.00 0.00 C ATOM 523 C ASP A 36 -11.371 2.800 2.298 1.00 0.00 C ATOM 524 O ASP A 36 -11.952 3.518 1.488 1.00 0.00 O ATOM 525 CB ASP A 36 -10.706 3.635 4.537 1.00 0.00 C ATOM 526 CG ASP A 36 -11.071 3.835 5.991 1.00 0.00 C ATOM 527 OD1 ASP A 36 -10.739 2.956 6.813 1.00 0.00 O ATOM 528 OD2 ASP A 36 -11.666 4.879 6.316 1.00 0.00 O ATOM 0 H ASP A 36 -11.196 1.264 5.044 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.729 3.306 3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.745 3.124 4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.581 4.608 4.062 1.00 0.00 H new ATOM 533 N LEU A 37 -10.391 1.970 1.957 1.00 0.00 N ATOM 534 CA LEU A 37 -9.919 1.878 0.581 1.00 0.00 C ATOM 535 C LEU A 37 -10.948 1.154 -0.272 1.00 0.00 C ATOM 536 O LEU A 37 -10.843 1.154 -1.494 1.00 0.00 O ATOM 537 CB LEU A 37 -8.564 1.144 0.483 1.00 0.00 C ATOM 538 CG LEU A 37 -7.312 1.906 0.957 1.00 0.00 C ATOM 539 CD1 LEU A 37 -7.073 3.150 0.127 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.421 2.285 2.416 1.00 0.00 C ATOM 0 H LEU A 37 -9.910 1.354 2.612 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.778 2.895 0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.637 0.223 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.410 0.857 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.464 1.233 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.182 3.663 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.932 2.869 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.933 3.814 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.522 2.821 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.292 2.924 2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.527 1.383 3.019 1.00 0.00 H new ATOM 552 N ASP A 38 -11.935 0.539 0.395 1.00 0.00 N ATOM 553 CA ASP A 38 -12.982 -0.235 -0.275 1.00 0.00 C ATOM 554 C ASP A 38 -12.328 -1.324 -1.118 1.00 0.00 C ATOM 555 O ASP A 38 -12.707 -1.571 -2.262 1.00 0.00 O ATOM 556 CB ASP A 38 -13.857 0.687 -1.145 1.00 0.00 C ATOM 557 CG ASP A 38 -15.254 0.137 -1.395 1.00 0.00 C ATOM 558 OD1 ASP A 38 -15.423 -1.097 -1.443 1.00 0.00 O ATOM 559 OD2 ASP A 38 -16.200 0.942 -1.550 1.00 0.00 O ATOM 0 H ASP A 38 -12.027 0.566 1.410 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.630 -0.700 0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.939 1.660 -0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -13.362 0.848 -2.102 1.00 0.00 H new ATOM 564 N VAL A 39 -11.331 -1.975 -0.535 1.00 0.00 N ATOM 565 CA VAL A 39 -10.514 -2.921 -1.267 1.00 0.00 C ATOM 566 C VAL A 39 -10.855 -4.365 -0.888 1.00 0.00 C ATOM 567 O VAL A 39 -11.223 -4.654 0.253 1.00 0.00 O ATOM 568 CB VAL A 39 -9.004 -2.652 -1.014 1.00 0.00 C ATOM 569 CG1 VAL A 39 -8.411 -3.647 -0.028 1.00 0.00 C ATOM 570 CG2 VAL A 39 -8.230 -2.668 -2.316 1.00 0.00 C ATOM 0 H VAL A 39 -11.071 -1.862 0.445 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.728 -2.786 -2.327 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.920 -1.660 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.354 -3.425 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.936 -3.572 0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.517 -4.658 -0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.176 -2.478 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.338 -3.643 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.618 -1.895 -2.980 1.00 0.00 H new ATOM 580 N ASP A 40 -10.750 -5.261 -1.859 1.00 0.00 N ATOM 581 CA ASP A 40 -10.843 -6.693 -1.598 1.00 0.00 C ATOM 582 C ASP A 40 -9.454 -7.250 -1.348 1.00 0.00 C ATOM 583 O ASP A 40 -8.474 -6.704 -1.853 1.00 0.00 O ATOM 584 CB ASP A 40 -11.480 -7.434 -2.778 1.00 0.00 C ATOM 585 CG ASP A 40 -12.974 -7.212 -2.886 1.00 0.00 C ATOM 586 OD1 ASP A 40 -13.386 -6.184 -3.451 1.00 0.00 O ATOM 587 OD2 ASP A 40 -13.745 -8.081 -2.422 1.00 0.00 O ATOM 0 H ASP A 40 -10.600 -5.022 -2.839 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.473 -6.840 -0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.003 -7.109 -3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.284 -8.501 -2.677 1.00 0.00 H new ATOM 592 N SER A 41 -9.380 -8.338 -0.591 1.00 0.00 N ATOM 593 CA SER A 41 -8.106 -8.956 -0.236 1.00 0.00 C ATOM 594 C SER A 41 -7.282 -9.310 -1.480 1.00 0.00 C ATOM 595 O SER A 41 -6.071 -9.088 -1.519 1.00 0.00 O ATOM 596 CB SER A 41 -8.352 -10.203 0.617 1.00 0.00 C ATOM 597 OG SER A 41 -9.073 -9.874 1.795 1.00 0.00 O ATOM 0 H SER A 41 -10.196 -8.815 -0.207 1.00 0.00 H new ATOM 0 HA SER A 41 -7.530 -8.233 0.342 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.908 -10.941 0.039 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.399 -10.660 0.884 1.00 0.00 H new ATOM 0 HG SER A 41 -9.221 -10.685 2.325 1.00 0.00 H new ATOM 603 N LEU A 42 -7.936 -9.835 -2.506 1.00 0.00 N ATOM 604 CA LEU A 42 -7.233 -10.179 -3.735 1.00 0.00 C ATOM 605 C LEU A 42 -6.854 -8.902 -4.486 1.00 0.00 C ATOM 606 O LEU A 42 -5.730 -8.758 -4.965 1.00 0.00 O ATOM 607 CB LEU A 42 -8.104 -11.090 -4.616 1.00 0.00 C ATOM 608 CG LEU A 42 -7.352 -11.993 -5.610 1.00 0.00 C ATOM 609 CD1 LEU A 42 -6.559 -11.177 -6.619 1.00 0.00 C ATOM 610 CD2 LEU A 42 -6.432 -12.950 -4.867 1.00 0.00 C ATOM 0 H LEU A 42 -8.937 -10.030 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.322 -10.723 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.705 -11.724 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.796 -10.463 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.096 -12.570 -6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.042 -11.849 -7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.237 -10.536 -7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.829 -10.560 -6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.908 -13.581 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.706 -12.380 -4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.022 -13.575 -4.197 1.00 0.00 H new ATOM 622 N SER A 43 -7.791 -7.967 -4.548 1.00 0.00 N ATOM 623 CA SER A 43 -7.608 -6.732 -5.296 1.00 0.00 C ATOM 624 C SER A 43 -6.397 -5.952 -4.778 1.00 0.00 C ATOM 625 O SER A 43 -5.527 -5.528 -5.555 1.00 0.00 O ATOM 626 CB SER A 43 -8.867 -5.878 -5.173 1.00 0.00 C ATOM 627 OG SER A 43 -9.006 -5.011 -6.280 1.00 0.00 O ATOM 0 H SER A 43 -8.696 -8.042 -4.083 1.00 0.00 H new ATOM 0 HA SER A 43 -7.429 -6.979 -6.342 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.742 -6.524 -5.101 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.825 -5.294 -4.253 1.00 0.00 H new ATOM 0 HG SER A 43 -9.893 -4.595 -6.260 1.00 0.00 H new ATOM 633 N MET A 44 -6.346 -5.776 -3.461 1.00 0.00 N ATOM 634 CA MET A 44 -5.233 -5.087 -2.823 1.00 0.00 C ATOM 635 C MET A 44 -3.922 -5.770 -3.165 1.00 0.00 C ATOM 636 O MET A 44 -2.985 -5.125 -3.610 1.00 0.00 O ATOM 637 CB MET A 44 -5.421 -5.018 -1.303 1.00 0.00 C ATOM 638 CG MET A 44 -5.704 -6.359 -0.651 1.00 0.00 C ATOM 639 SD MET A 44 -6.235 -6.220 1.067 1.00 0.00 S ATOM 640 CE MET A 44 -4.907 -5.246 1.758 1.00 0.00 C ATOM 0 H MET A 44 -7.065 -6.102 -2.815 1.00 0.00 H new ATOM 0 HA MET A 44 -5.206 -4.066 -3.204 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.523 -4.591 -0.856 1.00 0.00 H new ATOM 0 HB3 MET A 44 -6.243 -4.337 -1.080 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.475 -6.877 -1.221 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.806 -6.974 -0.698 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.076 -5.106 2.826 1.00 0.00 H new ATOM 0 HE2 MET A 44 -3.959 -5.762 1.605 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.874 -4.274 1.266 1.00 0.00 H new ATOM 650 N VAL A 45 -3.870 -7.080 -3.012 1.00 0.00 N ATOM 651 CA VAL A 45 -2.645 -7.809 -3.287 1.00 0.00 C ATOM 652 C VAL A 45 -2.206 -7.631 -4.748 1.00 0.00 C ATOM 653 O VAL A 45 -1.026 -7.675 -5.055 1.00 0.00 O ATOM 654 CB VAL A 45 -2.803 -9.303 -2.938 1.00 0.00 C ATOM 655 CG1 VAL A 45 -1.600 -10.113 -3.389 1.00 0.00 C ATOM 656 CG2 VAL A 45 -3.011 -9.460 -1.441 1.00 0.00 C ATOM 0 H VAL A 45 -4.652 -7.657 -2.702 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.862 -7.393 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.675 -9.685 -3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.747 -11.160 -3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.485 -10.023 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.703 -9.738 -2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.122 -10.517 -1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.150 -9.054 -0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.910 -8.922 -1.140 1.00 0.00 H new ATOM 666 N GLU A 46 -3.143 -7.356 -5.639 1.00 0.00 N ATOM 667 CA GLU A 46 -2.800 -7.230 -7.045 1.00 0.00 C ATOM 668 C GLU A 46 -2.044 -5.930 -7.307 1.00 0.00 C ATOM 669 O GLU A 46 -0.853 -5.951 -7.630 1.00 0.00 O ATOM 670 CB GLU A 46 -4.063 -7.299 -7.915 1.00 0.00 C ATOM 671 CG GLU A 46 -3.807 -7.023 -9.390 1.00 0.00 C ATOM 672 CD GLU A 46 -2.845 -8.011 -10.022 1.00 0.00 C ATOM 673 OE1 GLU A 46 -1.615 -7.835 -9.877 1.00 0.00 O ATOM 674 OE2 GLU A 46 -3.315 -8.961 -10.678 1.00 0.00 O ATOM 0 H GLU A 46 -4.130 -7.218 -5.420 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.148 -8.062 -7.310 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.511 -8.287 -7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.791 -6.579 -7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.754 -7.052 -9.929 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.408 -6.015 -9.501 1.00 0.00 H new ATOM 681 N VAL A 47 -2.699 -4.793 -7.109 1.00 0.00 N ATOM 682 CA VAL A 47 -2.089 -3.533 -7.480 1.00 0.00 C ATOM 683 C VAL A 47 -1.180 -3.004 -6.366 1.00 0.00 C ATOM 684 O VAL A 47 -0.246 -2.250 -6.628 1.00 0.00 O ATOM 685 CB VAL A 47 -3.153 -2.485 -7.870 1.00 0.00 C ATOM 686 CG1 VAL A 47 -2.508 -1.278 -8.528 1.00 0.00 C ATOM 687 CG2 VAL A 47 -4.187 -3.101 -8.803 1.00 0.00 C ATOM 0 H VAL A 47 -3.632 -4.721 -6.703 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.468 -3.718 -8.357 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.652 -2.154 -6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.278 -0.554 -8.794 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.802 -0.820 -7.835 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.980 -1.593 -9.428 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.930 -2.350 -9.069 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.694 -3.459 -9.707 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.678 -3.935 -8.302 1.00 0.00 H new ATOM 697 N VAL A 48 -1.408 -3.435 -5.128 1.00 0.00 N ATOM 698 CA VAL A 48 -0.567 -2.978 -4.022 1.00 0.00 C ATOM 699 C VAL A 48 0.765 -3.736 -4.024 1.00 0.00 C ATOM 700 O VAL A 48 1.788 -3.202 -3.603 1.00 0.00 O ATOM 701 CB VAL A 48 -1.277 -3.097 -2.647 1.00 0.00 C ATOM 702 CG1 VAL A 48 -0.412 -2.561 -1.511 1.00 0.00 C ATOM 703 CG2 VAL A 48 -2.601 -2.353 -2.684 1.00 0.00 C ATOM 0 H VAL A 48 -2.150 -4.085 -4.867 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.371 -1.917 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.454 -4.156 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.947 -2.663 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.518 -3.127 -1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.188 -1.509 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.095 -2.440 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.421 -1.301 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.239 -2.783 -3.456 1.00 0.00 H new ATOM 713 N VAL A 49 0.763 -4.968 -4.537 1.00 0.00 N ATOM 714 CA VAL A 49 2.017 -5.676 -4.790 1.00 0.00 C ATOM 715 C VAL A 49 2.729 -5.033 -5.980 1.00 0.00 C ATOM 716 O VAL A 49 3.955 -4.959 -6.033 1.00 0.00 O ATOM 717 CB VAL A 49 1.794 -7.186 -5.042 1.00 0.00 C ATOM 718 CG1 VAL A 49 2.984 -7.819 -5.744 1.00 0.00 C ATOM 719 CG2 VAL A 49 1.528 -7.902 -3.728 1.00 0.00 C ATOM 0 H VAL A 49 -0.079 -5.489 -4.782 1.00 0.00 H new ATOM 0 HA VAL A 49 2.639 -5.593 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 49 0.927 -7.288 -5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.790 -8.880 -5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.142 -7.330 -6.705 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.875 -7.702 -5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.372 -8.964 -3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.383 -7.773 -3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.638 -7.483 -3.259 1.00 0.00 H new ATOM 729 N ALA A 50 1.951 -4.534 -6.926 1.00 0.00 N ATOM 730 CA ALA A 50 2.507 -3.735 -8.008 1.00 0.00 C ATOM 731 C ALA A 50 3.185 -2.484 -7.442 1.00 0.00 C ATOM 732 O ALA A 50 4.115 -1.941 -8.037 1.00 0.00 O ATOM 733 CB ALA A 50 1.418 -3.354 -9.001 1.00 0.00 C ATOM 0 H ALA A 50 0.940 -4.666 -6.968 1.00 0.00 H new ATOM 0 HA ALA A 50 3.255 -4.327 -8.535 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.850 -2.757 -9.804 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.975 -4.258 -9.419 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.648 -2.774 -8.492 1.00 0.00 H new ATOM 739 N ALA A 51 2.714 -2.047 -6.274 1.00 0.00 N ATOM 740 CA ALA A 51 3.261 -0.873 -5.607 1.00 0.00 C ATOM 741 C ALA A 51 4.519 -1.205 -4.813 1.00 0.00 C ATOM 742 O ALA A 51 5.458 -0.416 -4.784 1.00 0.00 O ATOM 743 CB ALA A 51 2.223 -0.248 -4.689 1.00 0.00 C ATOM 0 H ALA A 51 1.949 -2.495 -5.770 1.00 0.00 H new ATOM 0 HA ALA A 51 3.533 -0.159 -6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.650 0.627 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.353 0.051 -5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.920 -0.974 -3.934 1.00 0.00 H new ATOM 749 N GLU A 52 4.548 -2.366 -4.174 1.00 0.00 N ATOM 750 CA GLU A 52 5.693 -2.731 -3.353 1.00 0.00 C ATOM 751 C GLU A 52 6.938 -2.861 -4.224 1.00 0.00 C ATOM 752 O GLU A 52 7.992 -2.300 -3.924 1.00 0.00 O ATOM 753 CB GLU A 52 5.431 -4.030 -2.575 1.00 0.00 C ATOM 754 CG GLU A 52 5.174 -5.238 -3.454 1.00 0.00 C ATOM 755 CD GLU A 52 5.172 -6.539 -2.691 1.00 0.00 C ATOM 756 OE1 GLU A 52 6.263 -7.114 -2.493 1.00 0.00 O ATOM 757 OE2 GLU A 52 4.085 -6.986 -2.291 1.00 0.00 O ATOM 0 H GLU A 52 3.803 -3.062 -4.207 1.00 0.00 H new ATOM 0 HA GLU A 52 5.857 -1.940 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.289 -4.236 -1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.572 -3.882 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.214 -5.117 -3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.936 -5.282 -4.232 1.00 0.00 H new ATOM 764 N GLU A 53 6.793 -3.549 -5.337 1.00 0.00 N ATOM 765 CA GLU A 53 7.924 -3.869 -6.183 1.00 0.00 C ATOM 766 C GLU A 53 8.483 -2.636 -6.893 1.00 0.00 C ATOM 767 O GLU A 53 9.669 -2.598 -7.225 1.00 0.00 O ATOM 768 CB GLU A 53 7.527 -4.927 -7.196 1.00 0.00 C ATOM 769 CG GLU A 53 7.051 -6.224 -6.562 1.00 0.00 C ATOM 770 CD GLU A 53 7.103 -7.386 -7.526 1.00 0.00 C ATOM 771 OE1 GLU A 53 8.196 -7.959 -7.695 1.00 0.00 O ATOM 772 OE2 GLU A 53 6.063 -7.719 -8.133 1.00 0.00 O ATOM 0 H GLU A 53 5.898 -3.899 -5.678 1.00 0.00 H new ATOM 0 HA GLU A 53 8.716 -4.256 -5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.736 -4.531 -7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.379 -5.139 -7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.668 -6.449 -5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.029 -6.097 -6.204 1.00 0.00 H new ATOM 779 N ARG A 54 7.648 -1.621 -7.116 1.00 0.00 N ATOM 780 CA ARG A 54 8.114 -0.398 -7.775 1.00 0.00 C ATOM 781 C ARG A 54 8.892 0.478 -6.796 1.00 0.00 C ATOM 782 O ARG A 54 9.465 1.498 -7.178 1.00 0.00 O ATOM 783 CB ARG A 54 6.953 0.391 -8.395 1.00 0.00 C ATOM 784 CG ARG A 54 5.884 0.804 -7.403 1.00 0.00 C ATOM 785 CD ARG A 54 4.823 1.680 -8.048 1.00 0.00 C ATOM 786 NE ARG A 54 5.332 3.010 -8.370 1.00 0.00 N ATOM 787 CZ ARG A 54 4.584 4.009 -8.838 1.00 0.00 C ATOM 788 NH1 ARG A 54 3.288 3.824 -9.078 1.00 0.00 N ATOM 789 NH2 ARG A 54 5.138 5.190 -9.066 1.00 0.00 N ATOM 0 H ARG A 54 6.662 -1.618 -6.856 1.00 0.00 H new ATOM 0 HA ARG A 54 8.780 -0.697 -8.585 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.351 1.284 -8.876 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.494 -0.214 -9.177 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.415 -0.086 -6.983 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.345 1.342 -6.575 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.461 1.201 -8.958 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.970 1.771 -7.375 1.00 0.00 H new ATOM 0 HE ARG A 54 6.326 3.186 -8.227 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.862 2.914 -8.904 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.721 4.592 -9.436 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.132 5.331 -8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.571 5.959 -9.424 1.00 0.00 H new ATOM 803 N PHE A 55 8.908 0.074 -5.532 1.00 0.00 N ATOM 804 CA PHE A 55 9.710 0.752 -4.521 1.00 0.00 C ATOM 805 C PHE A 55 10.853 -0.145 -4.063 1.00 0.00 C ATOM 806 O PHE A 55 11.435 0.065 -2.999 1.00 0.00 O ATOM 807 CB PHE A 55 8.849 1.183 -3.331 1.00 0.00 C ATOM 808 CG PHE A 55 7.956 2.350 -3.640 1.00 0.00 C ATOM 809 CD1 PHE A 55 8.466 3.641 -3.669 1.00 0.00 C ATOM 810 CD2 PHE A 55 6.613 2.162 -3.911 1.00 0.00 C ATOM 811 CE1 PHE A 55 7.652 4.718 -3.961 1.00 0.00 C ATOM 812 CE2 PHE A 55 5.792 3.235 -4.201 1.00 0.00 C ATOM 813 CZ PHE A 55 6.313 4.514 -4.227 1.00 0.00 C ATOM 0 H PHE A 55 8.374 -0.721 -5.182 1.00 0.00 H new ATOM 0 HA PHE A 55 10.132 1.652 -4.969 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.237 0.340 -3.009 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.499 1.442 -2.495 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.513 3.805 -3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.201 1.164 -3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 55 8.062 5.717 -3.981 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.744 3.074 -4.407 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.673 5.354 -4.455 1.00 0.00 H new ATOM 823 N ASP A 56 11.159 -1.143 -4.893 1.00 0.00 N ATOM 824 CA ASP A 56 12.308 -2.026 -4.682 1.00 0.00 C ATOM 825 C ASP A 56 12.178 -2.867 -3.413 1.00 0.00 C ATOM 826 O ASP A 56 13.158 -3.077 -2.696 1.00 0.00 O ATOM 827 CB ASP A 56 13.613 -1.216 -4.647 1.00 0.00 C ATOM 828 CG ASP A 56 14.126 -0.870 -6.033 1.00 0.00 C ATOM 829 OD1 ASP A 56 14.768 -1.740 -6.666 1.00 0.00 O ATOM 830 OD2 ASP A 56 13.905 0.268 -6.490 1.00 0.00 O ATOM 0 H ASP A 56 10.618 -1.362 -5.730 1.00 0.00 H new ATOM 0 HA ASP A 56 12.332 -2.716 -5.526 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.450 -0.297 -4.085 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.375 -1.785 -4.114 1.00 0.00 H new ATOM 835 N VAL A 57 10.983 -3.364 -3.140 1.00 0.00 N ATOM 836 CA VAL A 57 10.799 -4.291 -2.033 1.00 0.00 C ATOM 837 C VAL A 57 10.077 -5.547 -2.517 1.00 0.00 C ATOM 838 O VAL A 57 9.455 -5.539 -3.583 1.00 0.00 O ATOM 839 CB VAL A 57 9.996 -3.643 -0.880 1.00 0.00 C ATOM 840 CG1 VAL A 57 8.543 -3.478 -1.272 1.00 0.00 C ATOM 841 CG2 VAL A 57 10.119 -4.454 0.402 1.00 0.00 C ATOM 0 H VAL A 57 10.134 -3.145 -3.662 1.00 0.00 H new ATOM 0 HA VAL A 57 11.786 -4.557 -1.654 1.00 0.00 H new ATOM 0 HB VAL A 57 10.418 -2.656 -0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.994 -3.021 -0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.474 -2.840 -2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.114 -4.454 -1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.544 -3.973 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.735 -5.460 0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.167 -4.510 0.698 1.00 0.00 H new ATOM 851 N LYS A 58 10.202 -6.628 -1.764 1.00 0.00 N ATOM 852 CA LYS A 58 9.415 -7.823 -2.009 1.00 0.00 C ATOM 853 C LYS A 58 8.868 -8.369 -0.694 1.00 0.00 C ATOM 854 O LYS A 58 9.626 -8.809 0.177 1.00 0.00 O ATOM 855 CB LYS A 58 10.233 -8.902 -2.735 1.00 0.00 C ATOM 856 CG LYS A 58 11.516 -9.297 -2.021 1.00 0.00 C ATOM 857 CD LYS A 58 12.173 -10.494 -2.684 1.00 0.00 C ATOM 858 CE LYS A 58 13.496 -10.844 -2.022 1.00 0.00 C ATOM 859 NZ LYS A 58 13.335 -11.206 -0.586 1.00 0.00 N ATOM 0 H LYS A 58 10.844 -6.701 -0.975 1.00 0.00 H new ATOM 0 HA LYS A 58 8.583 -7.548 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.612 -9.789 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.482 -8.543 -3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.208 -8.455 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.297 -9.531 -0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.502 -11.352 -2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.339 -10.280 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.956 -11.676 -2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.176 -9.997 -2.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.228 -11.597 -0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.082 -10.357 -0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.582 -11.917 -0.489 1.00 0.00 H new ATOM 873 N ILE A 59 7.561 -8.310 -0.531 1.00 0.00 N ATOM 874 CA ILE A 59 6.916 -8.920 0.617 1.00 0.00 C ATOM 875 C ILE A 59 6.167 -10.161 0.147 1.00 0.00 C ATOM 876 O ILE A 59 5.989 -10.359 -1.059 1.00 0.00 O ATOM 877 CB ILE A 59 5.932 -7.954 1.345 1.00 0.00 C ATOM 878 CG1 ILE A 59 4.650 -7.747 0.536 1.00 0.00 C ATOM 879 CG2 ILE A 59 6.585 -6.605 1.624 1.00 0.00 C ATOM 880 CD1 ILE A 59 3.652 -6.829 1.212 1.00 0.00 C ATOM 0 H ILE A 59 6.924 -7.846 -1.179 1.00 0.00 H new ATOM 0 HA ILE A 59 7.690 -9.177 1.339 1.00 0.00 H new ATOM 0 HB ILE A 59 5.673 -8.422 2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.908 -7.335 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.180 -8.715 0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.873 -5.954 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.461 -6.749 2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.888 -6.146 0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.767 -6.727 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.366 -7.250 2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.104 -5.849 1.364 1.00 0.00 H new ATOM 892 N PRO A 60 5.776 -11.051 1.062 1.00 0.00 N ATOM 893 CA PRO A 60 4.883 -12.152 0.723 1.00 0.00 C ATOM 894 C PRO A 60 3.534 -11.603 0.279 1.00 0.00 C ATOM 895 O PRO A 60 2.989 -10.713 0.929 1.00 0.00 O ATOM 896 CB PRO A 60 4.752 -12.941 2.035 1.00 0.00 C ATOM 897 CG PRO A 60 5.897 -12.492 2.879 1.00 0.00 C ATOM 898 CD PRO A 60 6.172 -11.072 2.477 1.00 0.00 C ATOM 0 HA PRO A 60 5.252 -12.772 -0.094 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.799 -12.737 2.524 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.794 -14.015 1.854 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.650 -12.557 3.939 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.772 -13.121 2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.592 -10.364 3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.222 -10.811 2.607 1.00 0.00 H new ATOM 906 N ASP A 61 3.000 -12.118 -0.823 1.00 0.00 N ATOM 907 CA ASP A 61 1.749 -11.603 -1.379 1.00 0.00 C ATOM 908 C ASP A 61 0.626 -11.663 -0.343 1.00 0.00 C ATOM 909 O ASP A 61 -0.224 -10.775 -0.278 1.00 0.00 O ATOM 910 CB ASP A 61 1.347 -12.383 -2.638 1.00 0.00 C ATOM 911 CG ASP A 61 0.951 -13.820 -2.348 1.00 0.00 C ATOM 912 OD1 ASP A 61 1.853 -14.672 -2.228 1.00 0.00 O ATOM 913 OD2 ASP A 61 -0.261 -14.108 -2.240 1.00 0.00 O ATOM 0 H ASP A 61 3.410 -12.889 -1.349 1.00 0.00 H new ATOM 0 HA ASP A 61 1.912 -10.561 -1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.514 -11.874 -3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.178 -12.377 -3.343 1.00 0.00 H new ATOM 918 N ASP A 62 0.658 -12.692 0.494 1.00 0.00 N ATOM 919 CA ASP A 62 -0.363 -12.875 1.518 1.00 0.00 C ATOM 920 C ASP A 62 -0.243 -11.807 2.600 1.00 0.00 C ATOM 921 O ASP A 62 -1.180 -11.568 3.349 1.00 0.00 O ATOM 922 CB ASP A 62 -0.260 -14.268 2.144 1.00 0.00 C ATOM 923 CG ASP A 62 -1.539 -14.675 2.859 1.00 0.00 C ATOM 924 OD1 ASP A 62 -1.688 -14.376 4.062 1.00 0.00 O ATOM 925 OD2 ASP A 62 -2.410 -15.291 2.208 1.00 0.00 O ATOM 0 H ASP A 62 1.380 -13.413 0.484 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.337 -12.778 1.039 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.033 -14.997 1.367 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.570 -14.286 2.850 1.00 0.00 H new ATOM 930 N ASP A 63 0.907 -11.155 2.677 1.00 0.00 N ATOM 931 CA ASP A 63 1.124 -10.151 3.708 1.00 0.00 C ATOM 932 C ASP A 63 0.271 -8.916 3.430 1.00 0.00 C ATOM 933 O ASP A 63 -0.182 -8.255 4.359 1.00 0.00 O ATOM 934 CB ASP A 63 2.601 -9.759 3.811 1.00 0.00 C ATOM 935 CG ASP A 63 2.966 -9.233 5.188 1.00 0.00 C ATOM 936 OD1 ASP A 63 2.623 -8.080 5.508 1.00 0.00 O ATOM 937 OD2 ASP A 63 3.609 -9.983 5.961 1.00 0.00 O ATOM 0 H ASP A 63 1.696 -11.300 2.047 1.00 0.00 H new ATOM 0 HA ASP A 63 0.827 -10.586 4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.221 -10.625 3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.825 -8.998 3.063 1.00 0.00 H new ATOM 942 N VAL A 64 0.013 -8.625 2.150 1.00 0.00 N ATOM 943 CA VAL A 64 -0.811 -7.471 1.805 1.00 0.00 C ATOM 944 C VAL A 64 -2.222 -7.636 2.366 1.00 0.00 C ATOM 945 O VAL A 64 -2.714 -6.757 3.059 1.00 0.00 O ATOM 946 CB VAL A 64 -0.881 -7.206 0.283 1.00 0.00 C ATOM 947 CG1 VAL A 64 -1.658 -5.930 -0.001 1.00 0.00 C ATOM 948 CG2 VAL A 64 0.519 -7.125 -0.311 1.00 0.00 C ATOM 0 H VAL A 64 0.356 -9.162 1.354 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.329 -6.605 2.258 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.405 -8.038 -0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.697 -5.760 -1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.672 -6.027 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.163 -5.088 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.449 -6.938 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.069 -6.313 0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.042 -8.066 -0.140 1.00 0.00 H new ATOM 958 N LYS A 65 -2.862 -8.775 2.096 1.00 0.00 N ATOM 959 CA LYS A 65 -4.204 -9.025 2.632 1.00 0.00 C ATOM 960 C LYS A 65 -4.141 -9.457 4.094 1.00 0.00 C ATOM 961 O LYS A 65 -5.169 -9.631 4.753 1.00 0.00 O ATOM 962 CB LYS A 65 -4.980 -10.056 1.788 1.00 0.00 C ATOM 963 CG LYS A 65 -4.180 -11.274 1.338 1.00 0.00 C ATOM 964 CD LYS A 65 -3.825 -12.209 2.483 1.00 0.00 C ATOM 965 CE LYS A 65 -5.024 -12.977 3.012 1.00 0.00 C ATOM 966 NZ LYS A 65 -4.632 -13.882 4.128 1.00 0.00 N ATOM 0 H LYS A 65 -2.483 -9.527 1.521 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.750 -8.083 2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.838 -10.400 2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.372 -9.554 0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.755 -11.824 0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.263 -10.940 0.852 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.067 -12.916 2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.384 -11.630 3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.784 -12.277 3.358 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.470 -13.560 2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.046 -14.823 3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.596 -13.961 4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.981 -13.494 5.028 1.00 0.00 H new ATOM 980 N ASN A 66 -2.927 -9.632 4.591 1.00 0.00 N ATOM 981 CA ASN A 66 -2.712 -9.966 5.991 1.00 0.00 C ATOM 982 C ASN A 66 -2.987 -8.729 6.832 1.00 0.00 C ATOM 983 O ASN A 66 -3.593 -8.803 7.899 1.00 0.00 O ATOM 984 CB ASN A 66 -1.275 -10.449 6.208 1.00 0.00 C ATOM 985 CG ASN A 66 -1.145 -11.455 7.332 1.00 0.00 C ATOM 986 OD1 ASN A 66 -0.971 -11.094 8.496 1.00 0.00 O ATOM 987 ND2 ASN A 66 -1.215 -12.732 6.987 1.00 0.00 N ATOM 0 H ASN A 66 -2.071 -9.548 4.043 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.386 -10.770 6.287 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.906 -10.896 5.285 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.639 -9.590 6.423 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.124 -13.458 7.698 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.360 -12.989 6.011 1.00 0.00 H new ATOM 994 N LEU A 67 -2.565 -7.585 6.309 1.00 0.00 N ATOM 995 CA LEU A 67 -2.832 -6.299 6.935 1.00 0.00 C ATOM 996 C LEU A 67 -4.147 -5.729 6.425 1.00 0.00 C ATOM 997 O LEU A 67 -4.528 -5.951 5.277 1.00 0.00 O ATOM 998 CB LEU A 67 -1.666 -5.334 6.681 1.00 0.00 C ATOM 999 CG LEU A 67 -1.179 -5.245 5.227 1.00 0.00 C ATOM 1000 CD1 LEU A 67 -1.676 -3.977 4.548 1.00 0.00 C ATOM 1001 CD2 LEU A 67 0.338 -5.316 5.165 1.00 0.00 C ATOM 0 H LEU A 67 -2.030 -7.523 5.443 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.923 -6.437 8.012 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.966 -4.338 7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.827 -5.635 7.308 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.594 -6.098 4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.312 -3.948 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.766 -3.968 4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.306 -3.106 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.663 -5.251 4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.764 -4.488 5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.676 -6.260 5.593 1.00 0.00 H new ATOM 1013 N LYS A 68 -4.853 -5.004 7.284 1.00 0.00 N ATOM 1014 CA LYS A 68 -6.180 -4.519 6.938 1.00 0.00 C ATOM 1015 C LYS A 68 -6.181 -3.014 6.700 1.00 0.00 C ATOM 1016 O LYS A 68 -7.140 -2.476 6.166 1.00 0.00 O ATOM 1017 CB LYS A 68 -7.209 -4.880 8.023 1.00 0.00 C ATOM 1018 CG LYS A 68 -7.471 -6.375 8.169 1.00 0.00 C ATOM 1019 CD LYS A 68 -6.356 -7.075 8.929 1.00 0.00 C ATOM 1020 CE LYS A 68 -6.577 -8.577 8.995 1.00 0.00 C ATOM 1021 NZ LYS A 68 -6.447 -9.224 7.661 1.00 0.00 N ATOM 0 H LYS A 68 -4.532 -4.742 8.216 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.466 -5.014 6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.863 -4.489 8.980 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.150 -4.379 7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.417 -6.529 8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.574 -6.824 7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.401 -6.869 8.446 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.296 -6.671 9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.856 -9.019 9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.569 -8.779 9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.672 -10.236 7.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.105 -8.776 6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.473 -9.113 7.315 1.00 0.00 H new ATOM 1035 N THR A 69 -5.110 -2.335 7.093 1.00 0.00 N ATOM 1036 CA THR A 69 -5.007 -0.896 6.875 1.00 0.00 C ATOM 1037 C THR A 69 -3.983 -0.608 5.786 1.00 0.00 C ATOM 1038 O THR A 69 -3.043 -1.379 5.603 1.00 0.00 O ATOM 1039 CB THR A 69 -4.589 -0.153 8.162 1.00 0.00 C ATOM 1040 OG1 THR A 69 -3.264 -0.544 8.545 1.00 0.00 O ATOM 1041 CG2 THR A 69 -5.556 -0.450 9.296 1.00 0.00 C ATOM 0 H THR A 69 -4.306 -2.753 7.561 1.00 0.00 H new ATOM 0 HA THR A 69 -5.992 -0.540 6.573 1.00 0.00 H new ATOM 0 HB THR A 69 -4.608 0.918 7.959 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.005 -0.067 9.361 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.241 0.084 10.192 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.558 -0.126 9.014 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.564 -1.521 9.496 1.00 0.00 H new ATOM 1049 N VAL A 70 -4.144 0.495 5.061 1.00 0.00 N ATOM 1050 CA VAL A 70 -3.165 0.848 4.043 1.00 0.00 C ATOM 1051 C VAL A 70 -1.865 1.274 4.711 1.00 0.00 C ATOM 1052 O VAL A 70 -0.771 1.052 4.184 1.00 0.00 O ATOM 1053 CB VAL A 70 -3.688 1.953 3.094 1.00 0.00 C ATOM 1054 CG1 VAL A 70 -4.450 3.000 3.866 1.00 0.00 C ATOM 1055 CG2 VAL A 70 -2.559 2.600 2.301 1.00 0.00 C ATOM 0 H VAL A 70 -4.924 1.145 5.156 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.982 -0.033 3.428 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.362 1.477 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.809 3.768 3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.299 2.536 4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.794 3.454 4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.968 3.370 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.843 3.051 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.057 1.843 1.699 1.00 0.00 H new ATOM 1065 N GLY A 71 -1.993 1.829 5.907 1.00 0.00 N ATOM 1066 CA GLY A 71 -0.835 2.295 6.632 1.00 0.00 C ATOM 1067 C GLY A 71 0.081 1.167 7.060 1.00 0.00 C ATOM 1068 O GLY A 71 1.297 1.346 7.150 1.00 0.00 O ATOM 0 H GLY A 71 -2.882 1.964 6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.277 2.993 6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.161 2.847 7.514 1.00 0.00 H new ATOM 1072 N ASP A 72 -0.505 0.000 7.313 1.00 0.00 N ATOM 1073 CA ASP A 72 0.252 -1.161 7.772 1.00 0.00 C ATOM 1074 C ASP A 72 1.215 -1.629 6.689 1.00 0.00 C ATOM 1075 O ASP A 72 2.418 -1.739 6.926 1.00 0.00 O ATOM 1076 CB ASP A 72 -0.697 -2.298 8.154 1.00 0.00 C ATOM 1077 CG ASP A 72 -0.088 -3.271 9.141 1.00 0.00 C ATOM 1078 OD1 ASP A 72 0.618 -4.204 8.717 1.00 0.00 O ATOM 1079 OD2 ASP A 72 -0.331 -3.102 10.358 1.00 0.00 O ATOM 0 H ASP A 72 -1.506 -0.167 7.207 1.00 0.00 H new ATOM 0 HA ASP A 72 0.827 -0.871 8.652 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.606 -1.876 8.582 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.989 -2.838 7.253 1.00 0.00 H new ATOM 1084 N ALA A 73 0.678 -1.869 5.493 1.00 0.00 N ATOM 1085 CA ALA A 73 1.490 -2.268 4.341 1.00 0.00 C ATOM 1086 C ALA A 73 2.606 -1.292 4.115 1.00 0.00 C ATOM 1087 O ALA A 73 3.762 -1.667 3.969 1.00 0.00 O ATOM 1088 CB ALA A 73 0.665 -2.311 3.074 1.00 0.00 C ATOM 0 H ALA A 73 -0.320 -1.794 5.295 1.00 0.00 H new ATOM 0 HA ALA A 73 1.884 -3.259 4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.297 -2.610 2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.145 -3.030 3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.248 -1.323 2.878 1.00 0.00 H new ATOM 1094 N THR A 74 2.227 -0.033 4.073 1.00 0.00 N ATOM 1095 CA THR A 74 3.149 1.031 3.793 1.00 0.00 C ATOM 1096 C THR A 74 4.330 0.999 4.759 1.00 0.00 C ATOM 1097 O THR A 74 5.477 0.943 4.334 1.00 0.00 O ATOM 1098 CB THR A 74 2.430 2.381 3.869 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.233 2.335 3.082 1.00 0.00 O ATOM 1100 CG2 THR A 74 3.319 3.469 3.339 1.00 0.00 C ATOM 0 H THR A 74 1.268 0.276 4.233 1.00 0.00 H new ATOM 0 HA THR A 74 3.538 0.894 2.784 1.00 0.00 H new ATOM 0 HB THR A 74 2.182 2.588 4.910 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.498 1.982 3.625 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.798 4.425 3.397 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.231 3.516 3.934 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.574 3.257 2.300 1.00 0.00 H new ATOM 1108 N LYS A 75 4.038 0.976 6.055 1.00 0.00 N ATOM 1109 CA LYS A 75 5.079 0.960 7.077 1.00 0.00 C ATOM 1110 C LYS A 75 5.890 -0.335 6.988 1.00 0.00 C ATOM 1111 O LYS A 75 7.110 -0.335 7.163 1.00 0.00 O ATOM 1112 CB LYS A 75 4.444 1.091 8.461 1.00 0.00 C ATOM 1113 CG LYS A 75 5.297 1.843 9.473 1.00 0.00 C ATOM 1114 CD LYS A 75 5.351 3.338 9.168 1.00 0.00 C ATOM 1115 CE LYS A 75 5.979 4.120 10.313 1.00 0.00 C ATOM 1116 NZ LYS A 75 7.351 3.643 10.627 1.00 0.00 N ATOM 0 H LYS A 75 3.087 0.968 6.423 1.00 0.00 H new ATOM 0 HA LYS A 75 5.752 1.802 6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.486 1.600 8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.236 0.094 8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.893 1.690 10.474 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.308 1.435 9.471 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.924 3.504 8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.343 3.709 8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.014 5.178 10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.352 4.030 11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.805 4.303 11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.300 2.699 11.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.910 3.593 9.751 1.00 0.00 H new ATOM 1130 N TYR A 76 5.197 -1.431 6.704 1.00 0.00 N ATOM 1131 CA TYR A 76 5.824 -2.734 6.522 1.00 0.00 C ATOM 1132 C TYR A 76 6.822 -2.681 5.364 1.00 0.00 C ATOM 1133 O TYR A 76 7.954 -3.158 5.476 1.00 0.00 O ATOM 1134 CB TYR A 76 4.736 -3.775 6.244 1.00 0.00 C ATOM 1135 CG TYR A 76 5.207 -5.212 6.227 1.00 0.00 C ATOM 1136 CD1 TYR A 76 5.316 -5.937 7.403 1.00 0.00 C ATOM 1137 CD2 TYR A 76 5.518 -5.850 5.033 1.00 0.00 C ATOM 1138 CE1 TYR A 76 5.722 -7.257 7.393 1.00 0.00 C ATOM 1139 CE2 TYR A 76 5.920 -7.172 5.013 1.00 0.00 C ATOM 1140 CZ TYR A 76 6.024 -7.872 6.195 1.00 0.00 C ATOM 1141 OH TYR A 76 6.417 -9.195 6.182 1.00 0.00 O ATOM 0 H TYR A 76 4.183 -1.441 6.593 1.00 0.00 H new ATOM 0 HA TYR A 76 6.367 -3.010 7.426 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.957 -3.674 7.000 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.277 -3.549 5.282 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.079 -5.462 8.343 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.444 -5.304 4.104 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.803 -7.806 8.319 1.00 0.00 H new ATOM 0 HE2 TYR A 76 6.152 -7.654 4.075 1.00 0.00 H new ATOM 0 HH TYR A 76 5.628 -9.770 6.094 1.00 0.00 H new ATOM 1151 N ILE A 77 6.384 -2.086 4.259 1.00 0.00 N ATOM 1152 CA ILE A 77 7.239 -1.859 3.101 1.00 0.00 C ATOM 1153 C ILE A 77 8.416 -0.973 3.479 1.00 0.00 C ATOM 1154 O ILE A 77 9.566 -1.276 3.168 1.00 0.00 O ATOM 1155 CB ILE A 77 6.452 -1.195 1.943 1.00 0.00 C ATOM 1156 CG1 ILE A 77 5.419 -2.171 1.371 1.00 0.00 C ATOM 1157 CG2 ILE A 77 7.399 -0.715 0.846 1.00 0.00 C ATOM 1158 CD1 ILE A 77 4.478 -1.544 0.361 1.00 0.00 C ATOM 0 H ILE A 77 5.429 -1.749 4.142 1.00 0.00 H new ATOM 0 HA ILE A 77 7.603 -2.830 2.765 1.00 0.00 H new ATOM 0 HB ILE A 77 5.927 -0.327 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.942 -3.003 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.833 -2.587 2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.823 -0.253 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.095 0.015 1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.956 -1.564 0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.776 -2.297 0.001 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.927 -0.730 0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.053 -1.154 -0.479 1.00 0.00 H new ATOM 1170 N LEU A 78 8.109 0.099 4.189 1.00 0.00 N ATOM 1171 CA LEU A 78 9.089 1.108 4.553 1.00 0.00 C ATOM 1172 C LEU A 78 10.292 0.522 5.290 1.00 0.00 C ATOM 1173 O LEU A 78 11.436 0.886 5.005 1.00 0.00 O ATOM 1174 CB LEU A 78 8.417 2.180 5.406 1.00 0.00 C ATOM 1175 CG LEU A 78 7.372 3.013 4.667 1.00 0.00 C ATOM 1176 CD1 LEU A 78 6.748 4.039 5.601 1.00 0.00 C ATOM 1177 CD2 LEU A 78 8.022 3.696 3.479 1.00 0.00 C ATOM 0 H LEU A 78 7.168 0.295 4.531 1.00 0.00 H new ATOM 0 HA LEU A 78 9.471 1.546 3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.942 1.701 6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.184 2.847 5.799 1.00 0.00 H new ATOM 0 HG LEU A 78 6.577 2.358 4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.006 4.623 5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.267 3.527 6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.524 4.703 5.982 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.278 4.291 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.825 4.345 3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.430 2.943 2.805 1.00 0.00 H new ATOM 1189 N ASP A 79 10.040 -0.390 6.220 1.00 0.00 N ATOM 1190 CA ASP A 79 11.104 -0.936 7.062 1.00 0.00 C ATOM 1191 C ASP A 79 11.821 -2.121 6.421 1.00 0.00 C ATOM 1192 O ASP A 79 12.795 -2.631 6.976 1.00 0.00 O ATOM 1193 CB ASP A 79 10.551 -1.360 8.423 1.00 0.00 C ATOM 1194 CG ASP A 79 10.365 -0.188 9.361 1.00 0.00 C ATOM 1195 OD1 ASP A 79 11.348 0.217 10.019 1.00 0.00 O ATOM 1196 OD2 ASP A 79 9.240 0.335 9.456 1.00 0.00 O ATOM 0 H ASP A 79 9.112 -0.768 6.412 1.00 0.00 H new ATOM 0 HA ASP A 79 11.833 -0.135 7.186 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.595 -1.864 8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.229 -2.082 8.878 1.00 0.00 H new ATOM 1201 N HIS A 80 11.349 -2.571 5.265 1.00 0.00 N ATOM 1202 CA HIS A 80 11.950 -3.737 4.613 1.00 0.00 C ATOM 1203 C HIS A 80 12.303 -3.454 3.156 1.00 0.00 C ATOM 1204 O HIS A 80 12.692 -4.365 2.422 1.00 0.00 O ATOM 1205 CB HIS A 80 11.009 -4.950 4.688 1.00 0.00 C ATOM 1206 CG HIS A 80 10.818 -5.470 6.079 1.00 0.00 C ATOM 1207 ND1 HIS A 80 11.506 -6.553 6.577 1.00 0.00 N ATOM 1208 CD2 HIS A 80 10.014 -5.046 7.081 1.00 0.00 C ATOM 1209 CE1 HIS A 80 11.139 -6.768 7.825 1.00 0.00 C ATOM 1210 NE2 HIS A 80 10.233 -5.863 8.160 1.00 0.00 N ATOM 0 H HIS A 80 10.564 -2.157 4.763 1.00 0.00 H new ATOM 0 HA HIS A 80 12.872 -3.961 5.150 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.039 -4.674 4.275 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.407 -5.748 4.061 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.325 -4.215 7.039 1.00 0.00 H new ATOM 0 HE1 HIS A 80 11.515 -7.551 8.467 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.775 -5.786 9.068 1.00 0.00 H new ATOM 1219 N GLN A 81 12.173 -2.202 2.739 1.00 0.00 N ATOM 1220 CA GLN A 81 12.406 -1.838 1.345 1.00 0.00 C ATOM 1221 C GLN A 81 13.900 -1.764 1.049 1.00 0.00 C ATOM 1222 O GLN A 81 14.708 -1.582 1.960 1.00 0.00 O ATOM 1223 CB GLN A 81 11.752 -0.491 1.024 1.00 0.00 C ATOM 1224 CG GLN A 81 12.552 0.711 1.502 1.00 0.00 C ATOM 1225 CD GLN A 81 11.829 2.019 1.270 1.00 0.00 C ATOM 1226 OE1 GLN A 81 11.909 2.599 0.192 1.00 0.00 O ATOM 1227 NE2 GLN A 81 11.150 2.512 2.291 1.00 0.00 N ATOM 0 H GLN A 81 11.909 -1.423 3.342 1.00 0.00 H new ATOM 0 HA GLN A 81 11.959 -2.610 0.718 1.00 0.00 H new ATOM 0 HB2 GLN A 81 11.609 -0.415 -0.054 1.00 0.00 H new ATOM 0 HB3 GLN A 81 10.762 -0.461 1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 81 12.765 0.601 2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.511 0.733 0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.108 1.998 3.171 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.668 3.406 2.199 1.00 0.00 H new ATOM 1236 N ALA A 82 14.250 -1.905 -0.228 1.00 0.00 N ATOM 1237 CA ALA A 82 15.631 -1.791 -0.681 1.00 0.00 C ATOM 1238 C ALA A 82 16.545 -2.758 0.064 1.00 0.00 C ATOM 1239 O ALA A 82 16.505 -3.965 -0.251 1.00 0.00 O ATOM 1240 CB ALA A 82 16.125 -0.360 -0.528 1.00 0.00 C ATOM 1241 OXT ALA A 82 17.303 -2.314 0.953 1.00 0.00 O ATOM 0 H ALA A 82 13.584 -2.101 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 82 15.658 -2.059 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 82 17.158 -0.293 -0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.501 0.306 -1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.071 -0.067 0.520 1.00 0.00 H new TER 1247 ALA A 82