USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 677 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 4 THR OG1 : rot -76:sc= 0.714! USER MOD Set 1.2: A 7 THR OG1 : rot 110:sc= 1 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0443 (180deg=-0.521) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0 (180deg=-0.252) USER MOD Single : A 2 GLN : amide:sc= -4.16! C(o=-4.2!,f=-2.3!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 21:sc= -2.92! USER MOD Single : A 15 SER OG : rot 180:sc= -0.854! USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.72) USER MOD Single : A 25 LYS NZ :NH3+ -171:sc= -1.09 (180deg=-1.21) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 157:sc= -0.263 (180deg=-1.32!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -4.62! C(o=-4.6!,f=-7.6!) USER MOD Single : A 50 HIS : no HD1:sc= -7.22! C(o=-7.2!,f=-12!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.594 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc=-0.00101 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= -0.026 X(o=-0.026,f=-0.067) USER MOD Single : A 79 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-1.8!) USER MOD Single : A 80 HIS : no HD1:sc= -0.0213 K(o=-0.021,f=-0.53) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.11 K(o=-0.11,f=-0.7) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.641 -19.085 -10.326 1.00 0.00 N ATOM 2 CA MET A 1 -18.088 -17.702 -10.400 1.00 0.00 C ATOM 3 C MET A 1 -16.673 -17.689 -9.831 1.00 0.00 C ATOM 4 O MET A 1 -16.462 -17.963 -8.649 1.00 0.00 O ATOM 5 CB MET A 1 -18.982 -16.751 -9.601 1.00 0.00 C ATOM 6 CG MET A 1 -20.337 -16.616 -10.299 1.00 0.00 C ATOM 7 SD MET A 1 -21.355 -15.395 -9.426 1.00 0.00 S ATOM 8 CE MET A 1 -21.731 -16.386 -7.958 1.00 0.00 C ATOM 0 H1 MET A 1 -19.484 -19.155 -10.931 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.924 -19.764 -10.652 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.901 -19.303 -9.343 1.00 0.00 H new ATOM 0 HA MET A 1 -18.058 -17.375 -11.439 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.119 -17.129 -8.588 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.506 -15.774 -9.515 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.194 -16.310 -11.335 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.845 -17.580 -10.318 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.602 -15.970 -7.452 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.940 -17.413 -8.256 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.877 -16.372 -7.281 1.00 0.00 H new ATOM 20 N GLN A 2 -15.706 -17.371 -10.686 1.00 0.00 N ATOM 21 CA GLN A 2 -14.307 -17.325 -10.272 1.00 0.00 C ATOM 22 C GLN A 2 -14.082 -16.190 -9.276 1.00 0.00 C ATOM 23 O GLN A 2 -13.223 -16.278 -8.397 1.00 0.00 O ATOM 24 CB GLN A 2 -13.395 -17.138 -11.497 1.00 0.00 C ATOM 25 CG GLN A 2 -14.063 -17.727 -12.739 1.00 0.00 C ATOM 26 CD GLN A 2 -14.612 -19.121 -12.446 1.00 0.00 C ATOM 27 OE1 GLN A 2 -13.853 -20.087 -12.359 1.00 0.00 O ATOM 28 NE2 GLN A 2 -15.898 -19.279 -12.283 1.00 0.00 N ATOM 0 H GLN A 2 -15.864 -17.142 -11.667 1.00 0.00 H new ATOM 0 HA GLN A 2 -14.060 -18.270 -9.788 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.191 -16.078 -11.651 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.435 -17.625 -11.324 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.871 -17.074 -13.068 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -13.343 -17.778 -13.556 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -16.524 -18.477 -12.356 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -16.277 -20.205 -12.083 1.00 0.00 H new ATOM 37 N TYR A 3 -14.856 -15.124 -9.429 1.00 0.00 N ATOM 38 CA TYR A 3 -14.735 -13.971 -8.550 1.00 0.00 C ATOM 39 C TYR A 3 -15.406 -14.261 -7.219 1.00 0.00 C ATOM 40 O TYR A 3 -16.630 -14.187 -7.110 1.00 0.00 O ATOM 41 CB TYR A 3 -15.405 -12.756 -9.196 1.00 0.00 C ATOM 42 CG TYR A 3 -15.051 -12.716 -10.657 1.00 0.00 C ATOM 43 CD1 TYR A 3 -15.762 -13.505 -11.570 1.00 0.00 C ATOM 44 CD2 TYR A 3 -14.011 -11.896 -11.103 1.00 0.00 C ATOM 45 CE1 TYR A 3 -15.433 -13.473 -12.927 1.00 0.00 C ATOM 46 CE2 TYR A 3 -13.682 -11.864 -12.459 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.392 -12.652 -13.373 1.00 0.00 C ATOM 48 OH TYR A 3 -14.065 -12.618 -14.713 1.00 0.00 O ATOM 0 H TYR A 3 -15.571 -15.035 -10.151 1.00 0.00 H new ATOM 0 HA TYR A 3 -13.678 -13.763 -8.386 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.486 -12.814 -9.073 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.077 -11.840 -8.705 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -16.565 -14.139 -11.224 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.462 -11.288 -10.399 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -15.982 -14.081 -13.631 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.878 -11.230 -12.804 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.321 -11.996 -14.852 1.00 0.00 H new ATOM 58 N THR A 4 -14.605 -14.589 -6.204 1.00 0.00 N ATOM 59 CA THR A 4 -15.146 -14.891 -4.872 1.00 0.00 C ATOM 60 C THR A 4 -14.621 -13.879 -3.853 1.00 0.00 C ATOM 61 O THR A 4 -13.586 -13.252 -4.077 1.00 0.00 O ATOM 62 CB THR A 4 -14.750 -16.316 -4.439 1.00 0.00 C ATOM 63 OG1 THR A 4 -13.648 -16.258 -3.546 1.00 0.00 O ATOM 64 CG2 THR A 4 -14.367 -17.148 -5.664 1.00 0.00 C ATOM 0 H THR A 4 -13.589 -14.653 -6.274 1.00 0.00 H new ATOM 0 HA THR A 4 -16.233 -14.827 -4.918 1.00 0.00 H new ATOM 0 HB THR A 4 -15.600 -16.781 -3.939 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.827 -16.081 -4.051 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.089 -18.153 -5.348 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.216 -17.204 -6.346 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.523 -16.681 -6.172 1.00 0.00 H new ATOM 72 N PRO A 5 -15.297 -13.712 -2.742 1.00 0.00 N ATOM 73 CA PRO A 5 -14.860 -12.750 -1.687 1.00 0.00 C ATOM 74 C PRO A 5 -13.395 -12.939 -1.284 1.00 0.00 C ATOM 75 O PRO A 5 -12.685 -11.965 -1.035 1.00 0.00 O ATOM 76 CB PRO A 5 -15.792 -13.048 -0.500 1.00 0.00 C ATOM 77 CG PRO A 5 -17.007 -13.685 -1.093 1.00 0.00 C ATOM 78 CD PRO A 5 -16.548 -14.406 -2.365 1.00 0.00 C ATOM 0 HA PRO A 5 -14.922 -11.720 -2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -15.312 -13.713 0.218 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.050 -12.134 0.035 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -17.458 -14.387 -0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -17.764 -12.935 -1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -16.376 -15.467 -2.182 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.296 -14.336 -3.155 1.00 0.00 H new ATOM 86 N ASP A 6 -12.950 -14.195 -1.208 1.00 0.00 N ATOM 87 CA ASP A 6 -11.571 -14.493 -0.822 1.00 0.00 C ATOM 88 C ASP A 6 -10.997 -15.577 -1.718 1.00 0.00 C ATOM 89 O ASP A 6 -11.184 -16.766 -1.462 1.00 0.00 O ATOM 90 CB ASP A 6 -11.531 -14.963 0.633 1.00 0.00 C ATOM 91 CG ASP A 6 -11.823 -13.794 1.566 1.00 0.00 C ATOM 92 OD1 ASP A 6 -11.782 -12.666 1.103 1.00 0.00 O ATOM 93 OD2 ASP A 6 -12.085 -14.043 2.731 1.00 0.00 O ATOM 0 H ASP A 6 -13.521 -15.017 -1.407 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.974 -13.587 -0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.264 -15.755 0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.552 -15.385 0.861 1.00 0.00 H new ATOM 98 N THR A 7 -10.300 -15.165 -2.773 1.00 0.00 N ATOM 99 CA THR A 7 -9.702 -16.118 -3.709 1.00 0.00 C ATOM 100 C THR A 7 -8.230 -15.773 -3.932 1.00 0.00 C ATOM 101 O THR A 7 -7.892 -14.631 -4.244 1.00 0.00 O ATOM 102 CB THR A 7 -10.469 -16.074 -5.046 1.00 0.00 C ATOM 103 OG1 THR A 7 -11.787 -15.602 -4.812 1.00 0.00 O ATOM 104 CG2 THR A 7 -10.557 -17.474 -5.661 1.00 0.00 C ATOM 0 H THR A 7 -10.135 -14.185 -3.002 1.00 0.00 H new ATOM 0 HA THR A 7 -9.766 -17.124 -3.294 1.00 0.00 H new ATOM 0 HB THR A 7 -9.939 -15.412 -5.730 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.886 -14.705 -5.193 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.102 -17.424 -6.604 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.552 -17.856 -5.842 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.080 -18.140 -4.975 1.00 0.00 H new ATOM 112 N ALA A 8 -7.365 -16.770 -3.784 1.00 0.00 N ATOM 113 CA ALA A 8 -5.931 -16.565 -3.986 1.00 0.00 C ATOM 114 C ALA A 8 -5.584 -16.832 -5.441 1.00 0.00 C ATOM 115 O ALA A 8 -5.498 -17.984 -5.866 1.00 0.00 O ATOM 116 CB ALA A 8 -5.137 -17.516 -3.088 1.00 0.00 C ATOM 0 H ALA A 8 -7.626 -17.722 -3.527 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.675 -15.537 -3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.070 -17.358 -3.244 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.384 -17.322 -2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.391 -18.547 -3.335 1.00 0.00 H new ATOM 122 N TRP A 9 -5.405 -15.760 -6.210 1.00 0.00 N ATOM 123 CA TRP A 9 -5.086 -15.885 -7.633 1.00 0.00 C ATOM 124 C TRP A 9 -3.596 -15.670 -7.861 1.00 0.00 C ATOM 125 O TRP A 9 -2.976 -14.814 -7.228 1.00 0.00 O ATOM 126 CB TRP A 9 -5.883 -14.847 -8.441 1.00 0.00 C ATOM 127 CG TRP A 9 -7.299 -15.305 -8.635 1.00 0.00 C ATOM 128 CD1 TRP A 9 -7.939 -16.224 -7.875 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.258 -14.882 -9.648 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.222 -16.386 -8.350 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.469 -15.582 -9.439 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.199 -13.967 -10.713 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.578 -15.386 -10.255 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.315 -13.766 -11.541 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.504 -14.473 -11.312 1.00 0.00 C ATOM 0 H TRP A 9 -5.475 -14.799 -5.875 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.356 -16.888 -7.964 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -5.873 -13.888 -7.923 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.409 -14.690 -9.410 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.512 -16.746 -7.032 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.906 -17.024 -7.944 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.289 -13.415 -10.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.490 -15.935 -10.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.257 -13.063 -12.359 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.360 -14.313 -11.950 1.00 0.00 H new ATOM 146 N LYS A 10 -3.026 -16.452 -8.774 1.00 0.00 N ATOM 147 CA LYS A 10 -1.605 -16.342 -9.091 1.00 0.00 C ATOM 148 C LYS A 10 -1.419 -15.477 -10.329 1.00 0.00 C ATOM 149 O LYS A 10 -2.062 -15.702 -11.351 1.00 0.00 O ATOM 150 CB LYS A 10 -1.024 -17.731 -9.346 1.00 0.00 C ATOM 151 CG LYS A 10 0.497 -17.634 -9.502 1.00 0.00 C ATOM 152 CD LYS A 10 1.073 -19.005 -9.871 1.00 0.00 C ATOM 153 CE LYS A 10 0.945 -19.974 -8.693 1.00 0.00 C ATOM 154 NZ LYS A 10 1.866 -21.125 -8.905 1.00 0.00 N ATOM 0 H LYS A 10 -3.524 -17.166 -9.306 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.086 -15.883 -8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.273 -18.397 -8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.465 -18.161 -10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.746 -16.906 -10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.945 -17.280 -8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.548 -19.406 -10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.121 -18.902 -10.153 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.188 -19.465 -7.760 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.083 -20.326 -8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.783 -21.787 -8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.614 -21.613 -9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.845 -20.779 -8.968 1.00 0.00 H new ATOM 168 N ILE A 11 -0.542 -14.486 -10.224 1.00 0.00 N ATOM 169 CA ILE A 11 -0.287 -13.583 -11.339 1.00 0.00 C ATOM 170 C ILE A 11 0.672 -14.232 -12.328 1.00 0.00 C ATOM 171 O ILE A 11 1.785 -14.611 -11.966 1.00 0.00 O ATOM 172 CB ILE A 11 0.331 -12.280 -10.815 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.507 -11.741 -9.656 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.345 -11.233 -11.932 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.229 -10.574 -8.993 1.00 0.00 C ATOM 0 H ILE A 11 0.001 -14.288 -9.384 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.230 -13.367 -11.842 1.00 0.00 H new ATOM 0 HB ILE A 11 1.348 -12.482 -10.477 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.480 -11.411 -10.020 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.690 -12.531 -8.927 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.784 -10.308 -11.558 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.936 -11.603 -12.770 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.675 -11.042 -12.264 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.369 -10.189 -8.166 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.192 -10.918 -8.615 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.389 -9.782 -9.725 1.00 0.00 H new ATOM 187 N THR A 12 0.240 -14.357 -13.584 1.00 0.00 N ATOM 188 CA THR A 12 1.076 -14.960 -14.625 1.00 0.00 C ATOM 189 C THR A 12 1.546 -13.894 -15.612 1.00 0.00 C ATOM 190 O THR A 12 2.476 -14.121 -16.386 1.00 0.00 O ATOM 191 CB THR A 12 0.279 -16.042 -15.365 1.00 0.00 C ATOM 192 OG1 THR A 12 -1.036 -15.569 -15.602 1.00 0.00 O ATOM 193 CG2 THR A 12 0.215 -17.313 -14.516 1.00 0.00 C ATOM 0 H THR A 12 -0.679 -14.051 -13.905 1.00 0.00 H new ATOM 0 HA THR A 12 1.951 -15.412 -14.157 1.00 0.00 H new ATOM 0 HB THR A 12 0.769 -16.269 -16.312 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.045 -14.590 -15.553 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.352 -18.077 -15.047 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.225 -17.676 -14.328 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.274 -17.092 -13.567 1.00 0.00 H new ATOM 201 N GLY A 13 0.901 -12.727 -15.574 1.00 0.00 N ATOM 202 CA GLY A 13 1.260 -11.620 -16.466 1.00 0.00 C ATOM 203 C GLY A 13 0.022 -10.981 -17.078 1.00 0.00 C ATOM 204 O GLY A 13 -1.102 -11.415 -16.833 1.00 0.00 O ATOM 0 H GLY A 13 0.130 -12.523 -14.938 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.822 -10.870 -15.910 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.913 -11.986 -17.259 1.00 0.00 H new ATOM 208 N PHE A 14 0.239 -9.942 -17.880 1.00 0.00 N ATOM 209 CA PHE A 14 -0.861 -9.241 -18.539 1.00 0.00 C ATOM 210 C PHE A 14 -0.997 -9.722 -19.983 1.00 0.00 C ATOM 211 O PHE A 14 -0.026 -10.173 -20.591 1.00 0.00 O ATOM 212 CB PHE A 14 -0.604 -7.729 -18.514 1.00 0.00 C ATOM 213 CG PHE A 14 0.874 -7.466 -18.629 1.00 0.00 C ATOM 214 CD1 PHE A 14 1.675 -7.503 -17.485 1.00 0.00 C ATOM 215 CD2 PHE A 14 1.442 -7.178 -19.873 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.048 -7.250 -17.581 1.00 0.00 C ATOM 217 CE2 PHE A 14 2.815 -6.924 -19.973 1.00 0.00 C ATOM 218 CZ PHE A 14 3.618 -6.958 -18.826 1.00 0.00 C ATOM 0 H PHE A 14 1.164 -9.567 -18.089 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.788 -9.454 -18.006 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.134 -7.246 -19.335 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.989 -7.300 -17.589 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.234 -7.727 -16.525 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.822 -7.151 -20.757 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.667 -7.280 -16.696 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.255 -6.702 -20.934 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.677 -6.759 -18.902 1.00 0.00 H new ATOM 228 N SER A 15 -2.207 -9.622 -20.522 1.00 0.00 N ATOM 229 CA SER A 15 -2.466 -10.046 -21.897 1.00 0.00 C ATOM 230 C SER A 15 -2.066 -8.954 -22.880 1.00 0.00 C ATOM 231 O SER A 15 -1.734 -7.840 -22.483 1.00 0.00 O ATOM 232 CB SER A 15 -3.950 -10.366 -22.071 1.00 0.00 C ATOM 233 OG SER A 15 -4.313 -10.188 -23.433 1.00 0.00 O ATOM 0 H SER A 15 -3.022 -9.253 -20.032 1.00 0.00 H new ATOM 0 HA SER A 15 -1.872 -10.937 -22.099 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.151 -11.391 -21.760 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.551 -9.716 -21.435 1.00 0.00 H new ATOM 0 HG SER A 15 -5.264 -10.394 -23.548 1.00 0.00 H new ATOM 239 N ARG A 16 -2.098 -9.280 -24.167 1.00 0.00 N ATOM 240 CA ARG A 16 -1.741 -8.311 -25.197 1.00 0.00 C ATOM 241 C ARG A 16 -2.800 -7.216 -25.303 1.00 0.00 C ATOM 242 O ARG A 16 -2.477 -6.041 -25.467 1.00 0.00 O ATOM 243 CB ARG A 16 -1.596 -9.014 -26.544 1.00 0.00 C ATOM 244 CG ARG A 16 -0.332 -9.874 -26.535 1.00 0.00 C ATOM 245 CD ARG A 16 -0.210 -10.613 -27.866 1.00 0.00 C ATOM 246 NE ARG A 16 1.005 -11.420 -27.883 1.00 0.00 N ATOM 247 CZ ARG A 16 1.248 -12.274 -28.870 1.00 0.00 C ATOM 248 NH1 ARG A 16 0.390 -12.406 -29.845 1.00 0.00 N ATOM 249 NH2 ARG A 16 2.344 -12.982 -28.866 1.00 0.00 N ATOM 0 H ARG A 16 -2.365 -10.199 -24.520 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.792 -7.852 -24.920 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.470 -9.635 -26.738 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.543 -8.278 -27.347 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.545 -9.248 -26.373 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.371 -10.588 -25.712 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.081 -11.250 -28.018 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.192 -9.897 -28.688 1.00 0.00 H new ATOM 0 HE ARG A 16 1.679 -11.327 -27.124 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.467 -11.853 -29.848 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.577 -13.062 -30.603 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.015 -12.880 -28.104 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.530 -13.638 -29.625 1.00 0.00 H new ATOM 263 N GLU A 17 -4.066 -7.615 -25.213 1.00 0.00 N ATOM 264 CA GLU A 17 -5.170 -6.662 -25.305 1.00 0.00 C ATOM 265 C GLU A 17 -5.153 -5.714 -24.107 1.00 0.00 C ATOM 266 O GLU A 17 -5.815 -4.676 -24.111 1.00 0.00 O ATOM 267 CB GLU A 17 -6.506 -7.413 -25.351 1.00 0.00 C ATOM 268 CG GLU A 17 -7.611 -6.484 -25.869 1.00 0.00 C ATOM 269 CD GLU A 17 -7.411 -6.218 -27.357 1.00 0.00 C ATOM 270 OE1 GLU A 17 -6.571 -6.875 -27.948 1.00 0.00 O ATOM 271 OE2 GLU A 17 -8.105 -5.364 -27.884 1.00 0.00 O ATOM 0 H GLU A 17 -4.352 -8.585 -25.077 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.053 -6.079 -26.219 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.420 -8.286 -25.998 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.762 -7.778 -24.356 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.588 -6.937 -25.700 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.596 -5.544 -25.317 1.00 0.00 H new ATOM 278 N ILE A 18 -4.393 -6.083 -23.080 1.00 0.00 N ATOM 279 CA ILE A 18 -4.302 -5.266 -21.872 1.00 0.00 C ATOM 280 C ILE A 18 -4.222 -3.784 -22.227 1.00 0.00 C ATOM 281 O ILE A 18 -3.669 -3.412 -23.263 1.00 0.00 O ATOM 282 CB ILE A 18 -3.063 -5.668 -21.067 1.00 0.00 C ATOM 283 CG1 ILE A 18 -3.071 -4.966 -19.703 1.00 0.00 C ATOM 284 CG2 ILE A 18 -1.803 -5.259 -21.835 1.00 0.00 C ATOM 285 CD1 ILE A 18 -4.247 -5.457 -18.846 1.00 0.00 C ATOM 0 H ILE A 18 -3.834 -6.936 -23.059 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.198 -5.434 -21.274 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.072 -6.747 -20.916 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.132 -5.158 -19.184 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.143 -3.888 -19.844 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.920 -5.544 -21.263 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.787 -5.761 -22.802 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.804 -4.180 -21.987 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.234 -4.946 -17.883 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.185 -5.242 -19.358 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.158 -6.532 -18.688 1.00 0.00 H new ATOM 297 N SER A 19 -4.786 -2.945 -21.367 1.00 0.00 N ATOM 298 CA SER A 19 -4.780 -1.509 -21.606 1.00 0.00 C ATOM 299 C SER A 19 -3.389 -0.925 -21.335 1.00 0.00 C ATOM 300 O SER A 19 -2.612 -1.490 -20.565 1.00 0.00 O ATOM 301 CB SER A 19 -5.834 -0.831 -20.715 1.00 0.00 C ATOM 302 OG SER A 19 -7.019 -0.630 -21.470 1.00 0.00 O ATOM 0 H SER A 19 -5.250 -3.232 -20.505 1.00 0.00 H new ATOM 0 HA SER A 19 -5.027 -1.322 -22.651 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.044 -1.450 -19.843 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.457 0.123 -20.345 1.00 0.00 H new ATOM 0 HG SER A 19 -7.696 -0.200 -20.907 1.00 0.00 H new ATOM 308 N PRO A 20 -3.070 0.187 -21.946 1.00 0.00 N ATOM 309 CA PRO A 20 -1.748 0.855 -21.761 1.00 0.00 C ATOM 310 C PRO A 20 -1.545 1.336 -20.324 1.00 0.00 C ATOM 311 O PRO A 20 -0.421 1.371 -19.827 1.00 0.00 O ATOM 312 CB PRO A 20 -1.792 2.039 -22.749 1.00 0.00 C ATOM 313 CG PRO A 20 -3.248 2.294 -22.985 1.00 0.00 C ATOM 314 CD PRO A 20 -3.933 0.935 -22.875 1.00 0.00 C ATOM 0 HA PRO A 20 -0.914 0.178 -21.948 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.300 2.918 -22.333 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.278 1.796 -23.679 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.646 2.993 -22.250 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.413 2.736 -23.967 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.949 1.028 -22.492 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.002 0.441 -23.844 1.00 0.00 H new ATOM 322 N ALA A 21 -2.638 1.710 -19.666 1.00 0.00 N ATOM 323 CA ALA A 21 -2.558 2.193 -18.292 1.00 0.00 C ATOM 324 C ALA A 21 -2.075 1.093 -17.349 1.00 0.00 C ATOM 325 O ALA A 21 -1.100 1.270 -16.618 1.00 0.00 O ATOM 326 CB ALA A 21 -3.934 2.686 -17.837 1.00 0.00 C ATOM 0 H ALA A 21 -3.580 1.689 -20.057 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.841 3.013 -18.261 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.870 3.046 -16.810 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.263 3.497 -18.486 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.650 1.866 -17.890 1.00 0.00 H new ATOM 332 N TYR A 22 -2.761 -0.043 -17.371 1.00 0.00 N ATOM 333 CA TYR A 22 -2.397 -1.160 -16.508 1.00 0.00 C ATOM 334 C TYR A 22 -0.997 -1.661 -16.851 1.00 0.00 C ATOM 335 O TYR A 22 -0.165 -1.899 -15.972 1.00 0.00 O ATOM 336 CB TYR A 22 -3.415 -2.287 -16.675 1.00 0.00 C ATOM 337 CG TYR A 22 -3.065 -3.423 -15.751 1.00 0.00 C ATOM 338 CD1 TYR A 22 -2.128 -4.379 -16.147 1.00 0.00 C ATOM 339 CD2 TYR A 22 -3.681 -3.521 -14.495 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.802 -5.435 -15.292 1.00 0.00 C ATOM 341 CE2 TYR A 22 -3.355 -4.579 -13.639 1.00 0.00 C ATOM 342 CZ TYR A 22 -2.414 -5.536 -14.037 1.00 0.00 C ATOM 343 OH TYR A 22 -2.089 -6.578 -13.195 1.00 0.00 O ATOM 0 H TYR A 22 -3.567 -0.215 -17.972 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.399 -0.824 -15.471 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.418 -1.921 -16.454 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.423 -2.634 -17.708 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.655 -4.302 -17.115 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.406 -2.781 -14.189 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.077 -6.174 -15.600 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.829 -4.657 -12.672 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.603 -6.499 -12.364 1.00 0.00 H new ATOM 353 N ARG A 23 -0.740 -1.812 -18.139 1.00 0.00 N ATOM 354 CA ARG A 23 0.559 -2.279 -18.585 1.00 0.00 C ATOM 355 C ARG A 23 1.651 -1.343 -18.069 1.00 0.00 C ATOM 356 O ARG A 23 2.701 -1.790 -17.600 1.00 0.00 O ATOM 357 CB ARG A 23 0.591 -2.335 -20.109 1.00 0.00 C ATOM 358 CG ARG A 23 1.813 -3.135 -20.560 1.00 0.00 C ATOM 359 CD ARG A 23 1.839 -3.214 -22.087 1.00 0.00 C ATOM 360 NE ARG A 23 2.059 -1.891 -22.658 1.00 0.00 N ATOM 361 CZ ARG A 23 1.980 -1.686 -23.970 1.00 0.00 C ATOM 362 NH1 ARG A 23 1.692 -2.677 -24.769 1.00 0.00 N ATOM 363 NH2 ARG A 23 2.191 -0.494 -24.458 1.00 0.00 N ATOM 0 H ARG A 23 -1.407 -1.620 -18.887 1.00 0.00 H new ATOM 0 HA ARG A 23 0.737 -3.279 -18.191 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.321 -2.798 -20.486 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.630 -1.326 -20.521 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.725 -2.662 -20.195 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.781 -4.138 -20.134 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.629 -3.893 -22.409 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.897 -3.624 -22.453 1.00 0.00 H new ATOM 0 HE ARG A 23 2.277 -1.109 -22.041 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.528 -3.609 -24.387 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.631 -2.520 -25.775 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.416 0.280 -23.833 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.130 -0.337 -25.464 1.00 0.00 H new ATOM 377 N GLN A 24 1.389 -0.042 -18.149 1.00 0.00 N ATOM 378 CA GLN A 24 2.350 0.946 -17.680 1.00 0.00 C ATOM 379 C GLN A 24 2.595 0.769 -16.188 1.00 0.00 C ATOM 380 O GLN A 24 3.720 0.930 -15.717 1.00 0.00 O ATOM 381 CB GLN A 24 1.833 2.360 -17.940 1.00 0.00 C ATOM 382 CG GLN A 24 2.971 3.361 -17.726 1.00 0.00 C ATOM 383 CD GLN A 24 3.947 3.292 -18.894 1.00 0.00 C ATOM 384 OE1 GLN A 24 3.530 3.270 -20.052 1.00 0.00 O ATOM 385 NE2 GLN A 24 5.229 3.253 -18.659 1.00 0.00 N ATOM 0 H GLN A 24 0.527 0.348 -18.531 1.00 0.00 H new ATOM 0 HA GLN A 24 3.283 0.800 -18.224 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.451 2.439 -18.958 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.004 2.586 -17.270 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.568 4.370 -17.636 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.490 3.141 -16.793 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.572 3.271 -17.699 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.889 3.204 -19.436 1.00 0.00 H new ATOM 394 N LYS A 25 1.543 0.432 -15.442 1.00 0.00 N ATOM 395 CA LYS A 25 1.698 0.238 -14.005 1.00 0.00 C ATOM 396 C LYS A 25 2.688 -0.883 -13.735 1.00 0.00 C ATOM 397 O LYS A 25 3.549 -0.758 -12.868 1.00 0.00 O ATOM 398 CB LYS A 25 0.362 -0.101 -13.348 1.00 0.00 C ATOM 399 CG LYS A 25 -0.535 1.135 -13.359 1.00 0.00 C ATOM 400 CD LYS A 25 -1.924 0.775 -12.820 1.00 0.00 C ATOM 401 CE LYS A 25 -1.888 0.657 -11.293 1.00 0.00 C ATOM 402 NZ LYS A 25 -3.282 0.605 -10.774 1.00 0.00 N ATOM 0 H LYS A 25 0.598 0.291 -15.799 1.00 0.00 H new ATOM 0 HA LYS A 25 2.070 1.170 -13.579 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.121 -0.920 -13.881 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.523 -0.439 -12.324 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.092 1.923 -12.750 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.619 1.526 -14.373 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.645 1.537 -13.116 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.258 -0.166 -13.256 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.344 -0.240 -10.998 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.358 1.507 -10.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.269 0.679 -9.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.830 1.395 -11.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.722 -0.295 -11.052 1.00 0.00 H new ATOM 416 N LEU A 26 2.573 -1.974 -14.490 1.00 0.00 N ATOM 417 CA LEU A 26 3.494 -3.096 -14.314 1.00 0.00 C ATOM 418 C LEU A 26 4.922 -2.670 -14.648 1.00 0.00 C ATOM 419 O LEU A 26 5.872 -3.067 -13.977 1.00 0.00 O ATOM 420 CB LEU A 26 3.081 -4.291 -15.199 1.00 0.00 C ATOM 421 CG LEU A 26 2.086 -5.201 -14.459 1.00 0.00 C ATOM 422 CD1 LEU A 26 2.753 -5.842 -13.220 1.00 0.00 C ATOM 423 CD2 LEU A 26 0.863 -4.386 -14.040 1.00 0.00 C ATOM 0 H LEU A 26 1.867 -2.105 -15.215 1.00 0.00 H new ATOM 0 HA LEU A 26 3.451 -3.407 -13.270 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.630 -3.927 -16.122 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.965 -4.864 -15.480 1.00 0.00 H new ATOM 0 HG LEU A 26 1.773 -6.002 -15.129 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.033 -6.482 -12.710 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.609 -6.438 -13.535 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.087 -5.058 -12.540 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.158 -5.031 -13.516 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.174 -3.576 -13.380 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.383 -3.968 -14.925 1.00 0.00 H new ATOM 435 N LEU A 27 5.068 -1.873 -15.696 1.00 0.00 N ATOM 436 CA LEU A 27 6.386 -1.411 -16.111 1.00 0.00 C ATOM 437 C LEU A 27 6.861 -0.236 -15.256 1.00 0.00 C ATOM 438 O LEU A 27 8.064 -0.001 -15.119 1.00 0.00 O ATOM 439 CB LEU A 27 6.346 -0.991 -17.582 1.00 0.00 C ATOM 440 CG LEU A 27 7.753 -0.516 -18.041 1.00 0.00 C ATOM 441 CD1 LEU A 27 8.049 -1.040 -19.450 1.00 0.00 C ATOM 442 CD2 LEU A 27 7.812 1.021 -18.060 1.00 0.00 C ATOM 0 H LEU A 27 4.297 -1.534 -16.271 1.00 0.00 H new ATOM 0 HA LEU A 27 7.089 -2.234 -15.978 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.017 -1.828 -18.198 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.620 -0.189 -17.720 1.00 0.00 H new ATOM 0 HG LEU A 27 8.494 -0.903 -17.341 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.037 -0.702 -19.764 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.022 -2.130 -19.446 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.299 -0.661 -20.144 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.802 1.343 -18.383 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.062 1.405 -18.751 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.614 1.405 -17.059 1.00 0.00 H new ATOM 454 N SER A 28 5.914 0.513 -14.707 1.00 0.00 N ATOM 455 CA SER A 28 6.247 1.683 -13.894 1.00 0.00 C ATOM 456 C SER A 28 7.077 1.294 -12.676 1.00 0.00 C ATOM 457 O SER A 28 8.072 1.944 -12.357 1.00 0.00 O ATOM 458 CB SER A 28 4.964 2.368 -13.429 1.00 0.00 C ATOM 459 OG SER A 28 5.279 3.326 -12.429 1.00 0.00 O ATOM 0 H SER A 28 4.914 0.336 -14.807 1.00 0.00 H new ATOM 0 HA SER A 28 6.835 2.364 -14.509 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.471 2.853 -14.272 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.266 1.629 -13.034 1.00 0.00 H new ATOM 0 HG SER A 28 4.457 3.769 -12.130 1.00 0.00 H new ATOM 465 N LEU A 29 6.653 0.234 -11.998 1.00 0.00 N ATOM 466 CA LEU A 29 7.347 -0.250 -10.803 1.00 0.00 C ATOM 467 C LEU A 29 8.094 -1.549 -11.114 1.00 0.00 C ATOM 468 O LEU A 29 7.833 -2.201 -12.126 1.00 0.00 O ATOM 469 CB LEU A 29 6.331 -0.483 -9.663 1.00 0.00 C ATOM 470 CG LEU A 29 4.966 -0.881 -10.243 1.00 0.00 C ATOM 471 CD1 LEU A 29 5.112 -2.141 -11.106 1.00 0.00 C ATOM 472 CD2 LEU A 29 3.991 -1.156 -9.093 1.00 0.00 C ATOM 0 H LEU A 29 5.829 -0.311 -12.254 1.00 0.00 H new ATOM 0 HA LEU A 29 8.070 0.502 -10.487 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.694 -1.266 -8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.230 0.423 -9.065 1.00 0.00 H new ATOM 0 HG LEU A 29 4.585 -0.069 -10.862 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.140 -2.417 -11.514 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.806 -1.944 -11.923 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.494 -2.958 -10.495 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.020 -1.439 -9.499 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.376 -1.967 -8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.882 -0.258 -8.485 1.00 0.00 H new ATOM 484 N GLY A 30 9.027 -1.912 -10.236 1.00 0.00 N ATOM 485 CA GLY A 30 9.818 -3.130 -10.413 1.00 0.00 C ATOM 486 C GLY A 30 9.135 -4.326 -9.757 1.00 0.00 C ATOM 487 O GLY A 30 9.798 -5.229 -9.245 1.00 0.00 O ATOM 0 H GLY A 30 9.254 -1.381 -9.395 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.959 -3.325 -11.476 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.809 -2.990 -9.981 1.00 0.00 H new ATOM 491 N MET A 31 7.805 -4.326 -9.790 1.00 0.00 N ATOM 492 CA MET A 31 7.011 -5.415 -9.214 1.00 0.00 C ATOM 493 C MET A 31 6.388 -6.217 -10.333 1.00 0.00 C ATOM 494 O MET A 31 5.189 -6.114 -10.598 1.00 0.00 O ATOM 495 CB MET A 31 5.898 -4.860 -8.324 1.00 0.00 C ATOM 496 CG MET A 31 6.510 -4.174 -7.106 1.00 0.00 C ATOM 497 SD MET A 31 5.194 -3.397 -6.136 1.00 0.00 S ATOM 498 CE MET A 31 4.333 -4.914 -5.653 1.00 0.00 C ATOM 0 H MET A 31 7.249 -3.581 -10.211 1.00 0.00 H new ATOM 0 HA MET A 31 7.665 -6.044 -8.611 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.289 -4.151 -8.885 1.00 0.00 H new ATOM 0 HB3 MET A 31 5.237 -5.666 -8.006 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.047 -4.901 -6.496 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.236 -3.425 -7.422 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.753 -4.731 -4.748 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.664 -5.224 -6.456 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.062 -5.702 -5.463 1.00 0.00 H new ATOM 508 N LEU A 32 7.210 -7.002 -11.000 1.00 0.00 N ATOM 509 CA LEU A 32 6.742 -7.814 -12.111 1.00 0.00 C ATOM 510 C LEU A 32 6.089 -9.101 -11.587 1.00 0.00 C ATOM 511 O LEU A 32 6.408 -9.555 -10.487 1.00 0.00 O ATOM 512 CB LEU A 32 7.941 -8.145 -13.015 1.00 0.00 C ATOM 513 CG LEU A 32 8.260 -6.981 -13.976 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.225 -6.887 -15.112 1.00 0.00 C ATOM 515 CD2 LEU A 32 8.305 -5.664 -13.194 1.00 0.00 C ATOM 0 H LEU A 32 8.205 -7.097 -10.794 1.00 0.00 H new ATOM 0 HA LEU A 32 5.994 -7.266 -12.684 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.814 -8.360 -12.399 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.727 -9.046 -13.590 1.00 0.00 H new ATOM 0 HG LEU A 32 9.233 -7.171 -14.429 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.481 -6.056 -15.770 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.226 -7.815 -15.683 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.234 -6.723 -14.689 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.531 -4.844 -13.875 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.339 -5.488 -12.722 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.078 -5.722 -12.428 1.00 0.00 H new ATOM 527 N PRO A 33 5.187 -9.691 -12.344 1.00 0.00 N ATOM 528 CA PRO A 33 4.490 -10.945 -11.939 1.00 0.00 C ATOM 529 C PRO A 33 5.434 -11.959 -11.304 1.00 0.00 C ATOM 530 O PRO A 33 6.645 -11.745 -11.235 1.00 0.00 O ATOM 531 CB PRO A 33 3.929 -11.493 -13.253 1.00 0.00 C ATOM 532 CG PRO A 33 3.741 -10.299 -14.134 1.00 0.00 C ATOM 533 CD PRO A 33 4.725 -9.220 -13.662 1.00 0.00 C ATOM 0 HA PRO A 33 3.728 -10.752 -11.184 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.615 -12.210 -13.704 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.985 -12.014 -13.090 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.927 -10.558 -15.176 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.715 -9.936 -14.074 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.557 -9.110 -14.358 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.241 -8.246 -13.588 1.00 0.00 H new ATOM 541 N GLY A 34 4.866 -13.072 -10.857 1.00 0.00 N ATOM 542 CA GLY A 34 5.648 -14.134 -10.234 1.00 0.00 C ATOM 543 C GLY A 34 5.188 -14.365 -8.800 1.00 0.00 C ATOM 544 O GLY A 34 5.848 -15.060 -8.029 1.00 0.00 O ATOM 0 H GLY A 34 3.866 -13.263 -10.914 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.544 -15.055 -10.808 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.705 -13.869 -10.245 1.00 0.00 H new ATOM 548 N SER A 35 4.042 -13.778 -8.452 1.00 0.00 N ATOM 549 CA SER A 35 3.477 -13.920 -7.109 1.00 0.00 C ATOM 550 C SER A 35 1.974 -14.157 -7.191 1.00 0.00 C ATOM 551 O SER A 35 1.463 -14.622 -8.209 1.00 0.00 O ATOM 552 CB SER A 35 3.751 -12.662 -6.285 1.00 0.00 C ATOM 553 OG SER A 35 3.029 -11.569 -6.838 1.00 0.00 O ATOM 0 H SER A 35 3.486 -13.199 -9.082 1.00 0.00 H new ATOM 0 HA SER A 35 3.948 -14.776 -6.625 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.454 -12.821 -5.248 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.819 -12.442 -6.281 1.00 0.00 H new ATOM 0 HG SER A 35 3.202 -10.762 -6.310 1.00 0.00 H new ATOM 559 N SER A 36 1.271 -13.837 -6.109 1.00 0.00 N ATOM 560 CA SER A 36 -0.178 -14.021 -6.059 1.00 0.00 C ATOM 561 C SER A 36 -0.823 -12.935 -5.211 1.00 0.00 C ATOM 562 O SER A 36 -0.157 -12.276 -4.414 1.00 0.00 O ATOM 563 CB SER A 36 -0.505 -15.393 -5.468 1.00 0.00 C ATOM 564 OG SER A 36 -0.053 -15.442 -4.121 1.00 0.00 O ATOM 0 H SER A 36 1.678 -13.450 -5.257 1.00 0.00 H new ATOM 0 HA SER A 36 -0.572 -13.957 -7.073 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.579 -15.574 -5.510 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.026 -16.178 -6.054 1.00 0.00 H new ATOM 0 HG SER A 36 -0.262 -16.319 -3.737 1.00 0.00 H new ATOM 570 N PHE A 37 -2.130 -12.752 -5.390 1.00 0.00 N ATOM 571 CA PHE A 37 -2.869 -11.739 -4.640 1.00 0.00 C ATOM 572 C PHE A 37 -4.214 -12.294 -4.186 1.00 0.00 C ATOM 573 O PHE A 37 -4.754 -13.220 -4.792 1.00 0.00 O ATOM 574 CB PHE A 37 -3.096 -10.502 -5.515 1.00 0.00 C ATOM 575 CG PHE A 37 -4.043 -10.834 -6.645 1.00 0.00 C ATOM 576 CD1 PHE A 37 -5.419 -10.680 -6.460 1.00 0.00 C ATOM 577 CD2 PHE A 37 -3.550 -11.297 -7.872 1.00 0.00 C ATOM 578 CE1 PHE A 37 -6.305 -10.987 -7.500 1.00 0.00 C ATOM 579 CE2 PHE A 37 -4.435 -11.605 -8.913 1.00 0.00 C ATOM 580 CZ PHE A 37 -5.814 -11.450 -8.726 1.00 0.00 C ATOM 0 H PHE A 37 -2.697 -13.290 -6.045 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.284 -11.460 -3.763 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.506 -9.691 -4.913 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.145 -10.152 -5.917 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.800 -10.324 -5.514 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.486 -11.417 -8.015 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.369 -10.866 -7.356 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.054 -11.962 -9.859 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.498 -11.688 -9.527 1.00 0.00 H new ATOM 590 N ASN A 38 -4.749 -11.720 -3.109 1.00 0.00 N ATOM 591 CA ASN A 38 -6.034 -12.154 -2.562 1.00 0.00 C ATOM 592 C ASN A 38 -7.103 -11.092 -2.800 1.00 0.00 C ATOM 593 O ASN A 38 -6.805 -9.895 -2.903 1.00 0.00 O ATOM 594 CB ASN A 38 -5.900 -12.414 -1.061 1.00 0.00 C ATOM 595 CG ASN A 38 -5.515 -11.128 -0.339 1.00 0.00 C ATOM 596 OD1 ASN A 38 -6.075 -10.068 -0.617 1.00 0.00 O ATOM 597 ND2 ASN A 38 -4.586 -11.159 0.576 1.00 0.00 N ATOM 0 H ASN A 38 -4.312 -10.953 -2.598 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.331 -13.074 -3.067 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.841 -12.795 -0.665 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.146 -13.180 -0.883 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.322 -10.303 1.064 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.124 -12.039 0.804 1.00 0.00 H new ATOM 604 N VAL A 39 -8.352 -11.538 -2.891 1.00 0.00 N ATOM 605 CA VAL A 39 -9.465 -10.627 -3.126 1.00 0.00 C ATOM 606 C VAL A 39 -10.082 -10.184 -1.802 1.00 0.00 C ATOM 607 O VAL A 39 -10.476 -11.012 -0.981 1.00 0.00 O ATOM 608 CB VAL A 39 -10.535 -11.320 -3.968 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.652 -10.326 -4.288 1.00 0.00 C ATOM 610 CG2 VAL A 39 -9.914 -11.834 -5.268 1.00 0.00 C ATOM 0 H VAL A 39 -8.617 -12.519 -2.806 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.087 -9.753 -3.656 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.947 -12.162 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.416 -10.819 -4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.096 -9.966 -3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.241 -9.483 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.679 -12.328 -5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.499 -10.997 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.120 -12.544 -5.036 1.00 0.00 H new ATOM 620 N VAL A 40 -10.164 -8.873 -1.603 1.00 0.00 N ATOM 621 CA VAL A 40 -10.740 -8.328 -0.380 1.00 0.00 C ATOM 622 C VAL A 40 -12.234 -8.625 -0.299 1.00 0.00 C ATOM 623 O VAL A 40 -12.752 -8.964 0.764 1.00 0.00 O ATOM 624 CB VAL A 40 -10.477 -6.812 -0.315 1.00 0.00 C ATOM 625 CG1 VAL A 40 -10.761 -6.168 -1.677 1.00 0.00 C ATOM 626 CG2 VAL A 40 -11.371 -6.166 0.754 1.00 0.00 C ATOM 0 H VAL A 40 -9.841 -8.172 -2.269 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.264 -8.807 0.476 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.431 -6.652 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.572 -5.096 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.111 -6.611 -2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.802 -6.338 -1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.177 -5.094 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -12.418 -6.337 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.153 -6.608 1.726 1.00 0.00 H new ATOM 636 N ARG A 41 -12.921 -8.483 -1.422 1.00 0.00 N ATOM 637 CA ARG A 41 -14.353 -8.724 -1.460 1.00 0.00 C ATOM 638 C ARG A 41 -14.856 -8.681 -2.894 1.00 0.00 C ATOM 639 O ARG A 41 -14.233 -8.063 -3.755 1.00 0.00 O ATOM 640 CB ARG A 41 -15.066 -7.648 -0.636 1.00 0.00 C ATOM 641 CG ARG A 41 -14.879 -6.280 -1.304 1.00 0.00 C ATOM 642 CD ARG A 41 -15.458 -5.194 -0.396 1.00 0.00 C ATOM 643 NE ARG A 41 -15.342 -3.885 -1.033 1.00 0.00 N ATOM 644 CZ ARG A 41 -14.234 -3.157 -0.919 1.00 0.00 C ATOM 645 NH1 ARG A 41 -13.224 -3.608 -0.228 1.00 0.00 N ATOM 646 NH2 ARG A 41 -14.158 -1.990 -1.499 1.00 0.00 N ATOM 0 H ARG A 41 -12.512 -8.204 -2.314 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.561 -9.710 -1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.127 -7.882 -0.554 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.665 -7.627 0.378 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.821 -6.092 -1.486 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.377 -6.264 -2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.505 -5.410 -0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.931 -5.189 0.558 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.125 -3.522 -1.576 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.283 -4.520 0.226 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.375 -3.049 -0.141 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.948 -1.637 -2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.309 -1.432 -1.412 1.00 0.00 H new ATOM 660 N VAL A 42 -15.994 -9.322 -3.145 1.00 0.00 N ATOM 661 CA VAL A 42 -16.584 -9.325 -4.488 1.00 0.00 C ATOM 662 C VAL A 42 -18.029 -8.848 -4.415 1.00 0.00 C ATOM 663 O VAL A 42 -18.856 -9.451 -3.728 1.00 0.00 O ATOM 664 CB VAL A 42 -16.531 -10.739 -5.066 1.00 0.00 C ATOM 665 CG1 VAL A 42 -17.308 -10.792 -6.384 1.00 0.00 C ATOM 666 CG2 VAL A 42 -15.071 -11.116 -5.312 1.00 0.00 C ATOM 0 H VAL A 42 -16.525 -9.842 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.020 -8.652 -5.134 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.982 -11.441 -4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.266 -11.802 -6.791 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.347 -10.515 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.865 -10.096 -7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.020 -12.124 -5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.627 -10.412 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.523 -11.081 -4.371 1.00 0.00 H new ATOM 676 N ALA A 43 -18.335 -7.758 -5.120 1.00 0.00 N ATOM 677 CA ALA A 43 -19.695 -7.217 -5.113 1.00 0.00 C ATOM 678 C ALA A 43 -20.498 -7.768 -6.310 1.00 0.00 C ATOM 679 O ALA A 43 -20.213 -7.401 -7.451 1.00 0.00 O ATOM 680 CB ALA A 43 -19.633 -5.685 -5.199 1.00 0.00 C ATOM 0 H ALA A 43 -17.671 -7.239 -5.695 1.00 0.00 H new ATOM 0 HA ALA A 43 -20.191 -7.516 -4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.645 -5.279 -5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.081 -5.295 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -19.129 -5.392 -6.120 1.00 0.00 H new ATOM 686 N PRO A 44 -21.488 -8.620 -6.092 1.00 0.00 N ATOM 687 CA PRO A 44 -22.309 -9.180 -7.205 1.00 0.00 C ATOM 688 C PRO A 44 -23.328 -8.173 -7.734 1.00 0.00 C ATOM 689 O PRO A 44 -23.950 -8.395 -8.773 1.00 0.00 O ATOM 690 CB PRO A 44 -22.992 -10.402 -6.579 1.00 0.00 C ATOM 691 CG PRO A 44 -23.105 -10.083 -5.121 1.00 0.00 C ATOM 692 CD PRO A 44 -21.944 -9.133 -4.780 1.00 0.00 C ATOM 0 HA PRO A 44 -21.704 -9.436 -8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.973 -10.575 -7.022 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.406 -11.307 -6.740 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -24.064 -9.615 -4.901 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.049 -10.992 -4.521 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.272 -8.323 -4.129 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.143 -9.656 -4.258 1.00 0.00 H new ATOM 700 N LEU A 45 -23.517 -7.082 -6.998 1.00 0.00 N ATOM 701 CA LEU A 45 -24.488 -6.068 -7.392 1.00 0.00 C ATOM 702 C LEU A 45 -24.177 -5.530 -8.784 1.00 0.00 C ATOM 703 O LEU A 45 -25.083 -5.145 -9.521 1.00 0.00 O ATOM 704 CB LEU A 45 -24.475 -4.911 -6.381 1.00 0.00 C ATOM 705 CG LEU A 45 -25.555 -3.875 -6.736 1.00 0.00 C ATOM 706 CD1 LEU A 45 -26.954 -4.520 -6.694 1.00 0.00 C ATOM 707 CD2 LEU A 45 -25.484 -2.720 -5.731 1.00 0.00 C ATOM 0 H LEU A 45 -23.016 -6.879 -6.133 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.475 -6.529 -7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -24.648 -5.296 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.494 -4.436 -6.376 1.00 0.00 H new ATOM 0 HG LEU A 45 -25.379 -3.501 -7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -27.707 -3.773 -6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -26.999 -5.339 -7.412 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -27.147 -4.905 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -26.246 -1.979 -5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -25.657 -3.102 -4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -24.499 -2.256 -5.779 1.00 0.00 H new ATOM 719 N GLY A 46 -22.896 -5.500 -9.141 1.00 0.00 N ATOM 720 CA GLY A 46 -22.479 -5.002 -10.453 1.00 0.00 C ATOM 721 C GLY A 46 -21.346 -3.995 -10.312 1.00 0.00 C ATOM 722 O GLY A 46 -21.167 -3.127 -11.167 1.00 0.00 O ATOM 0 H GLY A 46 -22.130 -5.813 -8.545 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -22.156 -5.835 -11.078 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -23.326 -4.536 -10.956 1.00 0.00 H new ATOM 726 N ASP A 47 -20.581 -4.112 -9.228 1.00 0.00 N ATOM 727 CA ASP A 47 -19.463 -3.201 -8.983 1.00 0.00 C ATOM 728 C ASP A 47 -18.158 -3.849 -9.455 1.00 0.00 C ATOM 729 O ASP A 47 -18.073 -5.069 -9.599 1.00 0.00 O ATOM 730 CB ASP A 47 -19.391 -2.866 -7.472 1.00 0.00 C ATOM 731 CG ASP A 47 -19.923 -1.458 -7.194 1.00 0.00 C ATOM 732 OD1 ASP A 47 -21.002 -1.147 -7.673 1.00 0.00 O ATOM 733 OD2 ASP A 47 -19.242 -0.713 -6.509 1.00 0.00 O ATOM 0 H ASP A 47 -20.713 -4.824 -8.509 1.00 0.00 H new ATOM 0 HA ASP A 47 -19.613 -2.276 -9.540 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.971 -3.595 -6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -18.360 -2.943 -7.128 1.00 0.00 H new ATOM 738 N PRO A 48 -17.146 -3.058 -9.692 1.00 0.00 N ATOM 739 CA PRO A 48 -15.818 -3.559 -10.159 1.00 0.00 C ATOM 740 C PRO A 48 -15.235 -4.595 -9.201 1.00 0.00 C ATOM 741 O PRO A 48 -15.812 -4.877 -8.151 1.00 0.00 O ATOM 742 CB PRO A 48 -14.938 -2.290 -10.225 1.00 0.00 C ATOM 743 CG PRO A 48 -15.664 -1.265 -9.410 1.00 0.00 C ATOM 744 CD PRO A 48 -17.145 -1.597 -9.544 1.00 0.00 C ATOM 0 HA PRO A 48 -15.885 -4.070 -11.119 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.943 -2.480 -9.823 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.807 -1.955 -11.254 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -15.349 -1.300 -8.367 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.455 -0.258 -9.772 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -17.710 -1.280 -8.667 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -17.592 -1.104 -10.407 1.00 0.00 H new ATOM 752 N ILE A 49 -14.092 -5.168 -9.576 1.00 0.00 N ATOM 753 CA ILE A 49 -13.448 -6.182 -8.749 1.00 0.00 C ATOM 754 C ILE A 49 -12.438 -5.527 -7.817 1.00 0.00 C ATOM 755 O ILE A 49 -11.428 -4.984 -8.265 1.00 0.00 O ATOM 756 CB ILE A 49 -12.731 -7.197 -9.652 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.604 -7.478 -10.880 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.462 -8.502 -8.885 1.00 0.00 C ATOM 759 CD1 ILE A 49 -15.017 -7.883 -10.446 1.00 0.00 C ATOM 0 H ILE A 49 -13.598 -4.948 -10.441 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.204 -6.693 -8.153 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.773 -6.784 -9.969 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.650 -6.591 -11.512 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.158 -8.273 -11.478 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.954 -9.210 -9.539 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.834 -8.292 -8.019 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.408 -8.930 -8.552 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.626 -8.080 -11.328 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.965 -8.783 -9.833 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.466 -7.075 -9.868 1.00 0.00 H new ATOM 771 N HIS A 50 -12.713 -5.591 -6.518 1.00 0.00 N ATOM 772 CA HIS A 50 -11.820 -5.007 -5.524 1.00 0.00 C ATOM 773 C HIS A 50 -10.865 -6.063 -5.006 1.00 0.00 C ATOM 774 O HIS A 50 -11.291 -7.072 -4.445 1.00 0.00 O ATOM 775 CB HIS A 50 -12.624 -4.444 -4.351 1.00 0.00 C ATOM 776 CG HIS A 50 -13.412 -3.248 -4.809 1.00 0.00 C ATOM 777 ND1 HIS A 50 -13.775 -2.230 -3.941 1.00 0.00 N ATOM 778 CD2 HIS A 50 -13.895 -2.879 -6.041 1.00 0.00 C ATOM 779 CE1 HIS A 50 -14.442 -1.306 -4.656 1.00 0.00 C ATOM 780 NE2 HIS A 50 -14.544 -1.652 -5.940 1.00 0.00 N ATOM 0 H HIS A 50 -13.543 -6.039 -6.131 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.259 -4.201 -5.996 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.296 -5.207 -3.958 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -11.953 -4.162 -3.539 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.787 -3.453 -6.949 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.846 -0.395 -4.241 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.000 -1.129 -6.688 1.00 0.00 H new ATOM 788 N ILE A 51 -9.568 -5.826 -5.195 1.00 0.00 N ATOM 789 CA ILE A 51 -8.549 -6.768 -4.738 1.00 0.00 C ATOM 790 C ILE A 51 -7.534 -6.058 -3.860 1.00 0.00 C ATOM 791 O ILE A 51 -7.271 -4.866 -4.038 1.00 0.00 O ATOM 792 CB ILE A 51 -7.843 -7.410 -5.942 1.00 0.00 C ATOM 793 CG1 ILE A 51 -7.168 -6.329 -6.800 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.874 -8.156 -6.793 1.00 0.00 C ATOM 795 CD1 ILE A 51 -6.308 -6.990 -7.879 1.00 0.00 C ATOM 0 H ILE A 51 -9.200 -4.995 -5.658 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.034 -7.550 -4.154 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.084 -8.104 -5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.923 -5.693 -7.262 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.551 -5.686 -6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.377 -8.613 -7.649 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.349 -8.932 -6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.631 -7.455 -7.145 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.831 -6.221 -8.486 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.543 -7.607 -7.407 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.937 -7.614 -8.514 1.00 0.00 H new ATOM 807 N GLU A 52 -6.957 -6.793 -2.910 1.00 0.00 N ATOM 808 CA GLU A 52 -5.963 -6.213 -2.009 1.00 0.00 C ATOM 809 C GLU A 52 -4.754 -7.122 -1.909 1.00 0.00 C ATOM 810 O GLU A 52 -4.887 -8.323 -1.681 1.00 0.00 O ATOM 811 CB GLU A 52 -6.577 -5.997 -0.622 1.00 0.00 C ATOM 812 CG GLU A 52 -5.695 -5.059 0.208 1.00 0.00 C ATOM 813 CD GLU A 52 -4.395 -5.759 0.592 1.00 0.00 C ATOM 814 OE1 GLU A 52 -4.425 -6.963 0.777 1.00 0.00 O ATOM 815 OE2 GLU A 52 -3.387 -5.078 0.693 1.00 0.00 O ATOM 0 H GLU A 52 -7.158 -7.779 -2.745 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.644 -5.250 -2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.577 -5.575 -0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.684 -6.954 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.476 -4.156 -0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.228 -4.748 1.106 1.00 0.00 H new ATOM 822 N THR A 53 -3.566 -6.542 -2.089 1.00 0.00 N ATOM 823 CA THR A 53 -2.330 -7.312 -2.021 1.00 0.00 C ATOM 824 C THR A 53 -1.488 -6.827 -0.853 1.00 0.00 C ATOM 825 O THR A 53 -1.365 -5.622 -0.621 1.00 0.00 O ATOM 826 CB THR A 53 -1.550 -7.149 -3.332 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.718 -6.000 -3.240 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.527 -6.976 -4.511 1.00 0.00 C ATOM 0 H THR A 53 -3.437 -5.549 -2.281 1.00 0.00 H new ATOM 0 HA THR A 53 -2.567 -8.366 -1.875 1.00 0.00 H new ATOM 0 HB THR A 53 -0.942 -8.038 -3.500 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.216 -5.892 -4.075 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.963 -6.861 -5.437 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.169 -7.854 -4.584 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.141 -6.090 -4.348 1.00 0.00 H new ATOM 836 N ARG A 54 -0.916 -7.776 -0.120 1.00 0.00 N ATOM 837 CA ARG A 54 -0.092 -7.456 1.041 1.00 0.00 C ATOM 838 C ARG A 54 0.767 -6.227 0.773 1.00 0.00 C ATOM 839 O ARG A 54 1.002 -5.412 1.664 1.00 0.00 O ATOM 840 CB ARG A 54 0.810 -8.642 1.376 1.00 0.00 C ATOM 841 CG ARG A 54 -0.049 -9.888 1.595 1.00 0.00 C ATOM 842 CD ARG A 54 0.850 -11.090 1.892 1.00 0.00 C ATOM 843 NE ARG A 54 1.528 -10.913 3.173 1.00 0.00 N ATOM 844 CZ ARG A 54 2.407 -11.807 3.616 1.00 0.00 C ATOM 845 NH1 ARG A 54 2.666 -12.874 2.912 1.00 0.00 N ATOM 846 NH2 ARG A 54 3.010 -11.618 4.759 1.00 0.00 N ATOM 0 H ARG A 54 -1.008 -8.774 -0.309 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.752 -7.245 1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.519 -8.814 0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.394 -8.427 2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.739 -9.725 2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.654 -10.084 0.710 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.254 -12.002 1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.586 -11.207 1.097 1.00 0.00 H new ATOM 0 HE ARG A 54 1.324 -10.089 3.738 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.194 -13.024 2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.341 -13.559 3.253 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.807 -10.785 5.311 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.684 -12.303 5.099 1.00 0.00 H new ATOM 860 N ARG A 55 1.240 -6.111 -0.460 1.00 0.00 N ATOM 861 CA ARG A 55 2.081 -4.985 -0.836 1.00 0.00 C ATOM 862 C ARG A 55 1.274 -3.695 -0.904 1.00 0.00 C ATOM 863 O ARG A 55 1.675 -2.678 -0.340 1.00 0.00 O ATOM 864 CB ARG A 55 2.705 -5.248 -2.208 1.00 0.00 C ATOM 865 CG ARG A 55 3.415 -6.606 -2.222 1.00 0.00 C ATOM 866 CD ARG A 55 4.624 -6.582 -1.286 1.00 0.00 C ATOM 867 NE ARG A 55 5.471 -7.744 -1.532 1.00 0.00 N ATOM 868 CZ ARG A 55 6.332 -8.166 -0.616 1.00 0.00 C ATOM 869 NH1 ARG A 55 6.417 -7.546 0.530 1.00 0.00 N ATOM 870 NH2 ARG A 55 7.090 -9.201 -0.857 1.00 0.00 N ATOM 0 H ARG A 55 1.057 -6.777 -1.211 1.00 0.00 H new ATOM 0 HA ARG A 55 2.857 -4.875 -0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.932 -5.227 -2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.415 -4.457 -2.449 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.723 -7.389 -1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.736 -6.846 -3.236 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.195 -5.667 -1.440 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.290 -6.578 -0.248 1.00 0.00 H new ATOM 0 HE ARG A 55 5.400 -8.239 -2.421 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.822 -6.739 0.719 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.078 -7.868 1.236 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.021 -9.687 -1.751 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.752 -9.524 -0.151 1.00 0.00 H new ATOM 884 N VAL A 56 0.139 -3.745 -1.596 1.00 0.00 N ATOM 885 CA VAL A 56 -0.713 -2.567 -1.743 1.00 0.00 C ATOM 886 C VAL A 56 -2.124 -2.976 -2.145 1.00 0.00 C ATOM 887 O VAL A 56 -2.436 -4.163 -2.241 1.00 0.00 O ATOM 888 CB VAL A 56 -0.148 -1.629 -2.817 1.00 0.00 C ATOM 889 CG1 VAL A 56 1.138 -0.962 -2.321 1.00 0.00 C ATOM 890 CG2 VAL A 56 0.157 -2.431 -4.086 1.00 0.00 C ATOM 0 H VAL A 56 -0.211 -4.582 -2.061 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.741 -2.052 -0.783 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.887 -0.858 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.526 -0.300 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.925 -0.384 -1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.880 -1.727 -2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.559 -1.765 -4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.889 -3.206 -3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.759 -2.893 -4.453 1.00 0.00 H new ATOM 900 N SER A 57 -2.976 -1.978 -2.385 1.00 0.00 N ATOM 901 CA SER A 57 -4.362 -2.231 -2.784 1.00 0.00 C ATOM 902 C SER A 57 -4.579 -1.860 -4.246 1.00 0.00 C ATOM 903 O SER A 57 -3.946 -0.941 -4.766 1.00 0.00 O ATOM 904 CB SER A 57 -5.315 -1.418 -1.911 1.00 0.00 C ATOM 905 OG SER A 57 -4.908 -1.518 -0.552 1.00 0.00 O ATOM 0 H SER A 57 -2.732 -0.990 -2.311 1.00 0.00 H new ATOM 0 HA SER A 57 -4.564 -3.294 -2.655 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.315 -0.375 -2.227 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.335 -1.786 -2.025 1.00 0.00 H new ATOM 0 HG SER A 57 -5.517 -0.996 0.011 1.00 0.00 H new ATOM 911 N LEU A 58 -5.480 -2.586 -4.905 1.00 0.00 N ATOM 912 CA LEU A 58 -5.780 -2.331 -6.314 1.00 0.00 C ATOM 913 C LEU A 58 -7.208 -2.760 -6.640 1.00 0.00 C ATOM 914 O LEU A 58 -7.738 -3.705 -6.052 1.00 0.00 O ATOM 915 CB LEU A 58 -4.794 -3.098 -7.205 1.00 0.00 C ATOM 916 CG LEU A 58 -5.078 -2.827 -8.693 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.883 -1.336 -9.015 1.00 0.00 C ATOM 918 CD2 LEU A 58 -4.120 -3.667 -9.545 1.00 0.00 C ATOM 0 H LEU A 58 -6.012 -3.351 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.682 -1.262 -6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.773 -2.801 -6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.871 -4.167 -7.004 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.110 -3.098 -8.915 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.088 -1.162 -10.071 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.567 -0.741 -8.410 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.856 -1.047 -8.792 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.314 -3.481 -10.601 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.091 -3.394 -9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.273 -4.724 -9.329 1.00 0.00 H new ATOM 930 N VAL A 59 -7.823 -2.065 -7.594 1.00 0.00 N ATOM 931 CA VAL A 59 -9.186 -2.383 -8.021 1.00 0.00 C ATOM 932 C VAL A 59 -9.228 -2.521 -9.538 1.00 0.00 C ATOM 933 O VAL A 59 -8.739 -1.655 -10.263 1.00 0.00 O ATOM 934 CB VAL A 59 -10.156 -1.286 -7.580 1.00 0.00 C ATOM 935 CG1 VAL A 59 -9.784 0.037 -8.258 1.00 0.00 C ATOM 936 CG2 VAL A 59 -11.583 -1.681 -7.980 1.00 0.00 C ATOM 0 H VAL A 59 -7.401 -1.278 -8.087 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.486 -3.323 -7.558 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.098 -1.164 -6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.478 0.816 -7.941 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.769 0.318 -7.976 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.840 -0.080 -9.340 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.278 -0.901 -7.667 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.637 -1.803 -9.062 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.850 -2.620 -7.496 1.00 0.00 H new ATOM 946 N LEU A 60 -9.806 -3.620 -10.012 1.00 0.00 N ATOM 947 CA LEU A 60 -9.898 -3.883 -11.449 1.00 0.00 C ATOM 948 C LEU A 60 -11.309 -4.335 -11.816 1.00 0.00 C ATOM 949 O LEU A 60 -12.094 -4.715 -10.950 1.00 0.00 O ATOM 950 CB LEU A 60 -8.894 -4.976 -11.830 1.00 0.00 C ATOM 951 CG LEU A 60 -7.466 -4.519 -11.501 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.507 -5.700 -11.677 1.00 0.00 C ATOM 953 CD2 LEU A 60 -7.042 -3.371 -12.435 1.00 0.00 C ATOM 0 H LEU A 60 -10.219 -4.344 -9.424 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.670 -2.966 -11.993 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.123 -5.895 -11.291 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.976 -5.201 -12.893 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.434 -4.163 -10.471 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.491 -5.381 -11.445 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.797 -6.507 -11.005 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.550 -6.053 -12.707 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.027 -3.058 -12.189 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.076 -3.712 -13.470 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.722 -2.529 -12.308 1.00 0.00 H new ATOM 965 N ARG A 61 -11.627 -4.287 -13.107 1.00 0.00 N ATOM 966 CA ARG A 61 -12.946 -4.698 -13.588 1.00 0.00 C ATOM 967 C ARG A 61 -12.926 -6.162 -14.016 1.00 0.00 C ATOM 968 O ARG A 61 -11.863 -6.746 -14.209 1.00 0.00 O ATOM 969 CB ARG A 61 -13.373 -3.824 -14.763 1.00 0.00 C ATOM 970 CG ARG A 61 -13.724 -2.433 -14.240 1.00 0.00 C ATOM 971 CD ARG A 61 -14.249 -1.582 -15.382 1.00 0.00 C ATOM 972 NE ARG A 61 -13.182 -1.288 -16.330 1.00 0.00 N ATOM 973 CZ ARG A 61 -13.415 -0.573 -17.423 1.00 0.00 C ATOM 974 NH1 ARG A 61 -14.613 -0.113 -17.661 1.00 0.00 N ATOM 975 NH2 ARG A 61 -12.445 -0.329 -18.261 1.00 0.00 N ATOM 0 H ARG A 61 -10.992 -3.968 -13.839 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.661 -4.579 -12.774 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.570 -3.760 -15.497 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.232 -4.265 -15.269 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.474 -2.507 -13.453 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.844 -1.966 -13.799 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.061 -2.104 -15.889 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.663 -0.652 -14.991 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.241 -1.638 -16.150 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.372 -0.303 -17.006 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.791 0.437 -18.502 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.508 -0.688 -18.076 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.623 0.221 -19.102 1.00 0.00 H new ATOM 989 N LYS A 62 -14.105 -6.748 -14.163 1.00 0.00 N ATOM 990 CA LYS A 62 -14.202 -8.146 -14.566 1.00 0.00 C ATOM 991 C LYS A 62 -13.458 -8.371 -15.881 1.00 0.00 C ATOM 992 O LYS A 62 -12.794 -9.393 -16.069 1.00 0.00 O ATOM 993 CB LYS A 62 -15.674 -8.531 -14.728 1.00 0.00 C ATOM 994 CG LYS A 62 -16.276 -7.782 -15.923 1.00 0.00 C ATOM 995 CD LYS A 62 -17.799 -7.958 -15.937 1.00 0.00 C ATOM 996 CE LYS A 62 -18.158 -9.417 -16.232 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.599 -9.504 -16.604 1.00 0.00 N ATOM 0 H LYS A 62 -15.001 -6.284 -14.011 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.747 -8.770 -13.797 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.764 -9.607 -14.878 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -16.225 -8.289 -13.819 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -16.024 -6.723 -15.864 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.849 -8.160 -16.852 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -18.216 -7.660 -14.975 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -18.241 -7.307 -16.691 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.538 -9.800 -17.042 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.958 -10.037 -15.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -19.846 -10.494 -16.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -20.182 -9.154 -15.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.775 -8.925 -17.450 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.573 -7.405 -16.785 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.912 -7.495 -18.080 1.00 0.00 C ATOM 1013 C LYS A 63 -11.397 -7.555 -17.910 1.00 0.00 C ATOM 1014 O LYS A 63 -10.715 -8.313 -18.599 1.00 0.00 O ATOM 1015 CB LYS A 63 -13.281 -6.278 -18.928 1.00 0.00 C ATOM 1016 CG LYS A 63 -14.763 -6.348 -19.302 1.00 0.00 C ATOM 1017 CD LYS A 63 -15.189 -5.038 -19.977 1.00 0.00 C ATOM 1018 CE LYS A 63 -14.336 -4.789 -21.224 1.00 0.00 C ATOM 1019 NZ LYS A 63 -15.046 -3.840 -22.128 1.00 0.00 N ATOM 0 H LYS A 63 -14.116 -6.553 -16.645 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.244 -8.407 -18.576 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.077 -5.361 -18.375 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.668 -6.250 -19.829 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.939 -7.188 -19.974 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.365 -6.521 -18.410 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.243 -5.087 -20.251 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.079 -4.208 -19.280 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.366 -4.381 -20.939 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.146 -5.729 -21.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.468 -3.670 -22.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.961 -4.247 -22.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.205 -2.940 -21.631 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.875 -6.752 -16.986 1.00 0.00 N ATOM 1034 CA ASP A 64 -9.438 -6.725 -16.736 1.00 0.00 C ATOM 1035 C ASP A 64 -8.955 -8.105 -16.291 1.00 0.00 C ATOM 1036 O ASP A 64 -7.926 -8.588 -16.759 1.00 0.00 O ATOM 1037 CB ASP A 64 -9.123 -5.680 -15.652 1.00 0.00 C ATOM 1038 CG ASP A 64 -8.985 -4.289 -16.268 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -8.393 -4.187 -17.330 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -9.476 -3.347 -15.668 1.00 0.00 O ATOM 0 H ASP A 64 -11.421 -6.117 -16.403 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.920 -6.455 -17.656 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.915 -5.675 -14.903 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.200 -5.949 -15.138 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.708 -8.740 -15.396 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.340 -10.068 -14.914 1.00 0.00 C ATOM 1047 C LEU A 65 -9.348 -11.064 -16.067 1.00 0.00 C ATOM 1048 O LEU A 65 -8.455 -11.902 -16.181 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.321 -10.530 -13.819 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.859 -10.043 -12.438 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.908 -8.515 -12.380 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.763 -10.630 -11.352 1.00 0.00 C ATOM 0 H LEU A 65 -10.566 -8.362 -14.994 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.336 -10.019 -14.491 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.319 -10.145 -14.031 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.392 -11.618 -13.822 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.834 -10.374 -12.270 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.579 -8.177 -11.397 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.251 -8.101 -13.145 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.929 -8.177 -12.557 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.431 -10.281 -10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.791 -10.309 -11.522 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.712 -11.718 -11.385 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.359 -10.969 -16.924 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.452 -11.877 -18.058 1.00 0.00 C ATOM 1066 C ALA A 66 -9.203 -11.765 -18.928 1.00 0.00 C ATOM 1067 O ALA A 66 -8.577 -12.770 -19.263 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.689 -11.546 -18.893 1.00 0.00 C ATOM 0 H ALA A 66 -11.113 -10.285 -16.857 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.534 -12.897 -17.682 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.751 -12.230 -19.739 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.582 -11.650 -18.277 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.617 -10.522 -19.259 1.00 0.00 H new ATOM 1074 N LEU A 67 -8.845 -10.536 -19.285 1.00 0.00 N ATOM 1075 CA LEU A 67 -7.667 -10.306 -20.110 1.00 0.00 C ATOM 1076 C LEU A 67 -6.392 -10.627 -19.339 1.00 0.00 C ATOM 1077 O LEU A 67 -5.460 -11.213 -19.882 1.00 0.00 O ATOM 1078 CB LEU A 67 -7.626 -8.848 -20.570 1.00 0.00 C ATOM 1079 CG LEU A 67 -8.792 -8.569 -21.528 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -8.835 -7.070 -21.836 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -8.616 -9.372 -22.835 1.00 0.00 C ATOM 0 H LEU A 67 -9.350 -9.691 -19.018 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.728 -10.963 -20.977 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.686 -8.184 -19.708 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.678 -8.641 -21.067 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.727 -8.876 -21.060 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.661 -6.862 -22.516 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.978 -6.512 -20.910 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.897 -6.767 -22.301 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.450 -9.164 -23.505 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.683 -9.082 -23.317 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.591 -10.438 -22.607 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.355 -10.236 -18.071 1.00 0.00 N ATOM 1094 CA LEU A 68 -5.178 -10.484 -17.246 1.00 0.00 C ATOM 1095 C LEU A 68 -4.982 -11.982 -17.050 1.00 0.00 C ATOM 1096 O LEU A 68 -5.920 -12.700 -16.707 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.344 -9.802 -15.882 1.00 0.00 C ATOM 1098 CG LEU A 68 -3.997 -9.770 -15.129 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -3.192 -8.526 -15.538 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -4.251 -9.727 -13.617 1.00 0.00 C ATOM 0 H LEU A 68 -7.116 -9.752 -17.595 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.303 -10.074 -17.749 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.716 -8.786 -16.019 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.087 -10.336 -15.289 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.432 -10.667 -15.384 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.244 -8.513 -15.001 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.001 -8.553 -16.611 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.760 -7.628 -15.293 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.298 -9.705 -13.088 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.824 -8.834 -13.370 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.811 -10.612 -13.317 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.757 -12.451 -17.275 1.00 0.00 N ATOM 1113 CA GLU A 69 -3.463 -13.870 -17.123 1.00 0.00 C ATOM 1114 C GLU A 69 -3.307 -14.220 -15.646 1.00 0.00 C ATOM 1115 O GLU A 69 -2.385 -13.745 -14.977 1.00 0.00 O ATOM 1116 CB GLU A 69 -2.179 -14.225 -17.875 1.00 0.00 C ATOM 1117 CG GLU A 69 -2.375 -13.982 -19.372 1.00 0.00 C ATOM 1118 CD GLU A 69 -1.068 -14.242 -20.112 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -0.117 -14.650 -19.466 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -1.037 -14.029 -21.312 1.00 0.00 O ATOM 0 H GLU A 69 -2.963 -11.877 -17.559 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.291 -14.444 -17.539 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.350 -13.622 -17.504 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.918 -15.268 -17.697 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.158 -14.636 -19.757 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.703 -12.957 -19.544 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.215 -15.054 -15.143 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.186 -15.473 -13.741 1.00 0.00 C ATOM 1129 C VAL A 70 -4.448 -16.969 -13.628 1.00 0.00 C ATOM 1130 O VAL A 70 -4.999 -17.583 -14.542 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.246 -14.713 -12.939 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.886 -13.226 -12.886 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.612 -14.880 -13.610 1.00 0.00 C ATOM 0 H VAL A 70 -4.981 -15.454 -15.685 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.198 -15.250 -13.339 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.285 -15.113 -11.926 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.643 -12.689 -12.314 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.915 -13.104 -12.407 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.844 -12.825 -13.899 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.366 -14.339 -13.039 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.570 -14.483 -14.624 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.873 -15.938 -13.645 1.00 0.00 H new ATOM 1143 N GLU A 71 -4.057 -17.555 -12.496 1.00 0.00 N ATOM 1144 CA GLU A 71 -4.264 -18.990 -12.273 1.00 0.00 C ATOM 1145 C GLU A 71 -4.666 -19.244 -10.824 1.00 0.00 C ATOM 1146 O GLU A 71 -4.036 -18.736 -9.898 1.00 0.00 O ATOM 1147 CB GLU A 71 -2.977 -19.767 -12.587 1.00 0.00 C ATOM 1148 CG GLU A 71 -3.306 -21.241 -12.841 1.00 0.00 C ATOM 1149 CD GLU A 71 -4.030 -21.392 -14.175 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -4.117 -20.408 -14.892 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -4.484 -22.487 -14.459 1.00 0.00 O ATOM 0 H GLU A 71 -3.600 -17.067 -11.726 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.061 -19.331 -12.934 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.488 -19.339 -13.462 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.277 -19.680 -11.756 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.389 -21.831 -12.847 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.929 -21.627 -12.034 1.00 0.00 H new ATOM 1158 N ALA A 72 -5.711 -20.040 -10.635 1.00 0.00 N ATOM 1159 CA ALA A 72 -6.174 -20.356 -9.291 1.00 0.00 C ATOM 1160 C ALA A 72 -5.123 -21.181 -8.562 1.00 0.00 C ATOM 1161 O ALA A 72 -4.560 -22.121 -9.123 1.00 0.00 O ATOM 1162 CB ALA A 72 -7.485 -21.139 -9.363 1.00 0.00 C ATOM 0 H ALA A 72 -6.248 -20.474 -11.386 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.341 -19.427 -8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.826 -21.372 -8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.240 -20.539 -9.871 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.326 -22.065 -9.915 1.00 0.00 H new ATOM 1168 N VAL A 73 -4.860 -20.827 -7.306 1.00 0.00 N ATOM 1169 CA VAL A 73 -3.868 -21.545 -6.508 1.00 0.00 C ATOM 1170 C VAL A 73 -4.546 -22.633 -5.680 1.00 0.00 C ATOM 1171 O VAL A 73 -5.515 -22.371 -4.969 1.00 0.00 O ATOM 1172 CB VAL A 73 -3.152 -20.569 -5.572 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -2.161 -21.337 -4.695 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -2.399 -19.527 -6.403 1.00 0.00 C ATOM 0 H VAL A 73 -5.316 -20.054 -6.822 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.144 -22.005 -7.180 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.884 -20.069 -4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.651 -20.642 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.698 -22.079 -4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.428 -21.838 -5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.888 -18.831 -5.738 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.666 -20.027 -7.036 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.105 -18.980 -7.027 1.00 0.00 H new ATOM 1184 N SER A 74 -4.030 -23.857 -5.778 1.00 0.00 N ATOM 1185 CA SER A 74 -4.591 -24.986 -5.035 1.00 0.00 C ATOM 1186 C SER A 74 -3.480 -25.910 -4.549 1.00 0.00 C ATOM 1187 O SER A 74 -3.675 -26.695 -3.621 1.00 0.00 O ATOM 1188 CB SER A 74 -5.553 -25.768 -5.928 1.00 0.00 C ATOM 1189 OG SER A 74 -6.504 -24.874 -6.490 1.00 0.00 O ATOM 0 H SER A 74 -3.228 -24.093 -6.362 1.00 0.00 H new ATOM 0 HA SER A 74 -5.130 -24.599 -4.170 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.002 -26.275 -6.720 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.060 -26.539 -5.348 1.00 0.00 H new ATOM 0 HG SER A 74 -7.122 -25.372 -7.065 1.00 0.00 H new ATOM 1195 N SER A 75 -2.315 -25.811 -5.181 1.00 0.00 N ATOM 1196 CA SER A 75 -1.181 -26.643 -4.801 1.00 0.00 C ATOM 1197 C SER A 75 -0.630 -26.206 -3.448 1.00 0.00 C ATOM 1198 O SER A 75 -0.628 -25.018 -3.122 1.00 0.00 O ATOM 1199 CB SER A 75 -0.081 -26.542 -5.857 1.00 0.00 C ATOM 1200 OG SER A 75 -0.571 -27.036 -7.096 1.00 0.00 O ATOM 0 H SER A 75 -2.133 -25.169 -5.952 1.00 0.00 H new ATOM 0 HA SER A 75 -1.520 -27.676 -4.729 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.239 -25.506 -5.967 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.792 -27.114 -5.544 1.00 0.00 H new ATOM 0 HG SER A 75 0.132 -26.971 -7.775 1.00 0.00 H new ATOM 1206 N LEU A 76 -0.155 -27.171 -2.666 1.00 0.00 N ATOM 1207 CA LEU A 76 0.407 -26.873 -1.352 1.00 0.00 C ATOM 1208 C LEU A 76 1.302 -28.013 -0.894 1.00 0.00 C ATOM 1209 O LEU A 76 0.822 -29.034 -0.401 1.00 0.00 O ATOM 1210 CB LEU A 76 -0.716 -26.667 -0.330 1.00 0.00 C ATOM 1211 CG LEU A 76 -0.131 -26.336 1.056 1.00 0.00 C ATOM 1212 CD1 LEU A 76 0.730 -25.062 0.988 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -1.285 -26.130 2.043 1.00 0.00 C ATOM 0 H LEU A 76 -0.148 -28.160 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 76 0.997 -25.959 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.370 -25.859 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.328 -27.567 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 76 0.501 -27.160 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.135 -24.843 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.549 -25.214 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.116 -24.225 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.883 -25.895 3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.913 -25.307 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.880 -27.041 2.102 1.00 0.00 H new ATOM 1225 N GLU A 77 2.606 -27.831 -1.051 1.00 0.00 N ATOM 1226 CA GLU A 77 3.575 -28.847 -0.642 1.00 0.00 C ATOM 1227 C GLU A 77 4.795 -28.189 -0.012 1.00 0.00 C ATOM 1228 O GLU A 77 5.105 -27.031 -0.295 1.00 0.00 O ATOM 1229 CB GLU A 77 4.008 -29.682 -1.848 1.00 0.00 C ATOM 1230 CG GLU A 77 2.830 -30.528 -2.335 1.00 0.00 C ATOM 1231 CD GLU A 77 3.231 -31.311 -3.581 1.00 0.00 C ATOM 1232 OE1 GLU A 77 4.387 -31.232 -3.960 1.00 0.00 O ATOM 1233 OE2 GLU A 77 2.373 -31.974 -4.140 1.00 0.00 O ATOM 0 H GLU A 77 3.020 -26.992 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 77 3.102 -29.499 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.356 -29.030 -2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.844 -30.326 -1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.515 -31.215 -1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.978 -29.886 -2.557 1.00 0.00 H new ATOM 1240 N HIS A 78 5.485 -28.934 0.850 1.00 0.00 N ATOM 1241 CA HIS A 78 6.678 -28.424 1.528 1.00 0.00 C ATOM 1242 C HIS A 78 7.810 -29.441 1.447 1.00 0.00 C ATOM 1243 O HIS A 78 7.585 -30.644 1.575 1.00 0.00 O ATOM 1244 CB HIS A 78 6.358 -28.137 2.997 1.00 0.00 C ATOM 1245 CG HIS A 78 5.274 -27.097 3.078 1.00 0.00 C ATOM 1246 ND1 HIS A 78 5.510 -25.761 2.799 1.00 0.00 N ATOM 1247 CD2 HIS A 78 3.943 -27.183 3.401 1.00 0.00 C ATOM 1248 CE1 HIS A 78 4.348 -25.102 2.958 1.00 0.00 C ATOM 1249 NE2 HIS A 78 3.360 -25.922 3.325 1.00 0.00 N ATOM 0 H HIS A 78 5.239 -29.893 1.096 1.00 0.00 H new ATOM 0 HA HIS A 78 6.991 -27.503 1.035 1.00 0.00 H new ATOM 0 HB2 HIS A 78 6.038 -29.052 3.496 1.00 0.00 H new ATOM 0 HB3 HIS A 78 7.252 -27.788 3.514 1.00 0.00 H new ATOM 0 HD1 HIS A 78 6.402 -25.351 2.523 1.00 0.00 H new ATOM 0 HD2 HIS A 78 3.426 -28.092 3.673 1.00 0.00 H new ATOM 0 HE1 HIS A 78 4.229 -24.039 2.807 1.00 0.00 H new ATOM 1257 N HIS A 79 9.029 -28.950 1.232 1.00 0.00 N ATOM 1258 CA HIS A 79 10.200 -29.824 1.133 1.00 0.00 C ATOM 1259 C HIS A 79 10.942 -29.875 2.464 1.00 0.00 C ATOM 1260 O HIS A 79 11.805 -29.041 2.737 1.00 0.00 O ATOM 1261 CB HIS A 79 11.142 -29.303 0.046 1.00 0.00 C ATOM 1262 CG HIS A 79 11.452 -27.854 0.302 1.00 0.00 C ATOM 1263 ND1 HIS A 79 12.660 -27.439 0.841 1.00 0.00 N ATOM 1264 CD2 HIS A 79 10.722 -26.708 0.095 1.00 0.00 C ATOM 1265 CE1 HIS A 79 12.622 -26.098 0.939 1.00 0.00 C ATOM 1266 NE2 HIS A 79 11.464 -25.602 0.498 1.00 0.00 N ATOM 0 H HIS A 79 9.233 -27.957 1.123 1.00 0.00 H new ATOM 0 HA HIS A 79 9.863 -30.829 0.877 1.00 0.00 H new ATOM 0 HB2 HIS A 79 12.063 -29.887 0.038 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.682 -29.419 -0.935 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.725 -26.671 -0.318 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.430 -25.496 1.327 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.183 -24.622 0.464 1.00 0.00 H new ATOM 1274 N HIS A 80 10.598 -30.860 3.293 1.00 0.00 N ATOM 1275 CA HIS A 80 11.235 -31.021 4.600 1.00 0.00 C ATOM 1276 C HIS A 80 12.349 -32.060 4.530 1.00 0.00 C ATOM 1277 O HIS A 80 13.165 -32.172 5.445 1.00 0.00 O ATOM 1278 CB HIS A 80 10.194 -31.457 5.632 1.00 0.00 C ATOM 1279 CG HIS A 80 9.253 -30.315 5.906 1.00 0.00 C ATOM 1280 ND1 HIS A 80 9.534 -29.335 6.845 1.00 0.00 N ATOM 1281 CD2 HIS A 80 8.033 -29.982 5.369 1.00 0.00 C ATOM 1282 CE1 HIS A 80 8.506 -28.466 6.844 1.00 0.00 C ATOM 1283 NE2 HIS A 80 7.564 -28.814 5.964 1.00 0.00 N ATOM 0 H HIS A 80 9.883 -31.557 3.084 1.00 0.00 H new ATOM 0 HA HIS A 80 11.666 -30.064 4.896 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.639 -32.319 5.263 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.687 -31.766 6.554 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.517 -30.541 4.602 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.450 -27.593 7.478 1.00 0.00 H new ATOM 0 HE2 HIS A 80 6.688 -28.328 5.769 1.00 0.00 H new ATOM 1291 N HIS A 81 12.378 -32.819 3.436 1.00 0.00 N ATOM 1292 CA HIS A 81 13.398 -33.851 3.249 1.00 0.00 C ATOM 1293 C HIS A 81 14.594 -33.286 2.491 1.00 0.00 C ATOM 1294 O HIS A 81 14.450 -32.759 1.388 1.00 0.00 O ATOM 1295 CB HIS A 81 12.811 -35.030 2.471 1.00 0.00 C ATOM 1296 CG HIS A 81 13.849 -36.113 2.348 1.00 0.00 C ATOM 1297 ND1 HIS A 81 14.252 -36.876 3.433 1.00 0.00 N ATOM 1298 CD2 HIS A 81 14.577 -36.569 1.278 1.00 0.00 C ATOM 1299 CE1 HIS A 81 15.183 -37.743 2.996 1.00 0.00 C ATOM 1300 NE2 HIS A 81 15.419 -37.598 1.689 1.00 0.00 N ATOM 0 H HIS A 81 11.711 -32.740 2.669 1.00 0.00 H new ATOM 0 HA HIS A 81 13.729 -34.192 4.230 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.928 -35.414 2.982 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.491 -34.704 1.482 1.00 0.00 H new ATOM 0 HD2 HIS A 81 14.507 -36.187 0.270 1.00 0.00 H new ATOM 0 HE1 HIS A 81 15.679 -38.468 3.625 1.00 0.00 H new ATOM 0 HE2 HIS A 81 16.075 -38.128 1.116 1.00 0.00 H new ATOM 1308 N HIS A 82 15.775 -33.400 3.091 1.00 0.00 N ATOM 1309 CA HIS A 82 16.991 -32.896 2.465 1.00 0.00 C ATOM 1310 C HIS A 82 17.496 -33.880 1.412 1.00 0.00 C ATOM 1311 O HIS A 82 17.616 -35.077 1.673 1.00 0.00 O ATOM 1312 CB HIS A 82 18.072 -32.677 3.528 1.00 0.00 C ATOM 1313 CG HIS A 82 19.361 -32.273 2.863 1.00 0.00 C ATOM 1314 ND1 HIS A 82 20.322 -33.198 2.486 1.00 0.00 N ATOM 1315 CD2 HIS A 82 19.857 -31.047 2.494 1.00 0.00 C ATOM 1316 CE1 HIS A 82 21.337 -32.522 1.919 1.00 0.00 C ATOM 1317 NE2 HIS A 82 21.105 -31.206 1.899 1.00 0.00 N ATOM 0 H HIS A 82 15.915 -33.834 4.003 1.00 0.00 H new ATOM 0 HA HIS A 82 16.765 -31.947 1.979 1.00 0.00 H new ATOM 0 HB2 HIS A 82 17.755 -31.905 4.229 1.00 0.00 H new ATOM 0 HB3 HIS A 82 18.219 -33.590 4.105 1.00 0.00 H new ATOM 0 HD2 HIS A 82 19.355 -30.103 2.643 1.00 0.00 H new ATOM 0 HE1 HIS A 82 22.230 -32.986 1.528 1.00 0.00 H new ATOM 0 HE2 HIS A 82 21.712 -30.475 1.528 1.00 0.00 H new ATOM 1325 N HIS A 83 17.789 -33.365 0.222 1.00 0.00 N ATOM 1326 CA HIS A 83 18.281 -34.207 -0.863 1.00 0.00 C ATOM 1327 C HIS A 83 17.317 -35.360 -1.125 1.00 0.00 C ATOM 1328 O HIS A 83 17.448 -36.378 -0.465 1.00 0.00 O ATOM 1329 CB HIS A 83 19.661 -34.763 -0.506 1.00 0.00 C ATOM 1330 CG HIS A 83 20.171 -35.606 -1.642 1.00 0.00 C ATOM 1331 ND1 HIS A 83 20.482 -35.067 -2.880 1.00 0.00 N ATOM 1332 CD2 HIS A 83 20.431 -36.950 -1.742 1.00 0.00 C ATOM 1333 CE1 HIS A 83 20.906 -36.074 -3.666 1.00 0.00 C ATOM 1334 NE2 HIS A 83 20.894 -37.242 -3.021 1.00 0.00 N ATOM 1335 OXT HIS A 83 16.463 -35.208 -1.983 1.00 0.00 O ATOM 0 H HIS A 83 17.695 -32.377 -0.015 1.00 0.00 H new ATOM 0 HA HIS A 83 18.356 -33.600 -1.765 1.00 0.00 H new ATOM 0 HB2 HIS A 83 20.354 -33.945 -0.306 1.00 0.00 H new ATOM 0 HB3 HIS A 83 19.600 -35.359 0.405 1.00 0.00 H new ATOM 0 HD2 HIS A 83 20.297 -37.671 -0.949 1.00 0.00 H new ATOM 0 HE1 HIS A 83 21.218 -35.952 -4.693 1.00 0.00 H new ATOM 0 HE2 HIS A 83 21.166 -38.154 -3.387 1.00 0.00 H new TER 1343 HIS A 83