USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 443 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 2 GLN : amide:sc= -1.58 K(o=-1.6,f=-4!) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -97:sc= 0.273 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.514 X(o=-0.51,f=-0.061) USER MOD Single : A 16 GLN : amide:sc= -0.278 K(o=-0.28,f=-1.9!) USER MOD Single : A 17 TYR OH : rot -90:sc= -1.41 USER MOD Single : A 20 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-0.54) USER MOD Single : A 21 SER OG : rot -100:sc= -1.3 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 43:sc= 0.741 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.077) USER MOD Single : A 41 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.06) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0512 X(o=-0.051,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 57 SER OG : rot 180:sc=-0.00499 USER MOD Single : A 60 GLN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= -0.281 (180deg=-0.366) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -1.35 K(o=-1.3,f=0.066) USER MOD Single : A 68 SER OG : rot 162:sc= 0.9 USER MOD Single : A 70 THR OG1 : rot 80:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 1.476 -1.736 -3.193 1.00 0.00 N ATOM 12 CA GLN A 2 1.603 -3.093 -3.711 1.00 0.00 C ATOM 13 C GLN A 2 3.062 -3.428 -4.007 1.00 0.00 C ATOM 14 O GLN A 2 3.714 -2.756 -4.806 1.00 0.00 O ATOM 15 CB GLN A 2 0.762 -3.259 -4.977 1.00 0.00 C ATOM 16 CG GLN A 2 0.971 -4.593 -5.676 1.00 0.00 C ATOM 17 CD GLN A 2 0.482 -5.767 -4.851 1.00 0.00 C ATOM 18 OE1 GLN A 2 -0.524 -5.669 -4.147 1.00 0.00 O ATOM 19 NE2 GLN A 2 1.192 -6.885 -4.934 1.00 0.00 N ATOM 0 HA GLN A 2 1.238 -3.782 -2.949 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.292 -3.155 -4.719 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.002 -2.453 -5.671 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.449 -4.583 -6.633 1.00 0.00 H new ATOM 0 HG3 GLN A 2 2.031 -4.723 -5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.019 -6.921 -5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.911 -7.708 -4.402 1.00 0.00 H new ATOM 28 N VAL A 3 3.568 -4.472 -3.357 1.00 0.00 N ATOM 29 CA VAL A 3 4.949 -4.897 -3.551 1.00 0.00 C ATOM 30 C VAL A 3 5.035 -6.403 -3.769 1.00 0.00 C ATOM 31 O VAL A 3 4.690 -7.189 -2.887 1.00 0.00 O ATOM 32 CB VAL A 3 5.829 -4.512 -2.347 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.279 -4.891 -2.603 1.00 0.00 C ATOM 34 CG2 VAL A 3 5.702 -3.026 -2.047 1.00 0.00 C ATOM 0 H VAL A 3 3.042 -5.039 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 3 5.317 -4.383 -4.439 1.00 0.00 H new ATOM 0 HB VAL A 3 5.483 -5.066 -1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.886 -4.611 -1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.351 -5.967 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.641 -4.367 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.331 -2.772 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.021 -2.451 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.663 -2.789 -1.816 1.00 0.00 H new ATOM 44 N ASN A 4 5.497 -6.799 -4.950 1.00 0.00 N ATOM 45 CA ASN A 4 5.629 -8.212 -5.285 1.00 0.00 C ATOM 46 C ASN A 4 7.085 -8.573 -5.561 1.00 0.00 C ATOM 47 O ASN A 4 7.711 -8.018 -6.465 1.00 0.00 O ATOM 48 CB ASN A 4 4.767 -8.552 -6.503 1.00 0.00 C ATOM 49 CG ASN A 4 5.243 -9.802 -7.217 1.00 0.00 C ATOM 50 OD1 ASN A 4 5.074 -10.916 -6.720 1.00 0.00 O ATOM 51 ND2 ASN A 4 5.841 -9.623 -8.389 1.00 0.00 N ATOM 0 H ASN A 4 5.786 -6.161 -5.691 1.00 0.00 H new ATOM 0 HA ASN A 4 5.285 -8.795 -4.431 1.00 0.00 H new ATOM 0 HB2 ASN A 4 3.733 -8.689 -6.186 1.00 0.00 H new ATOM 0 HB3 ASN A 4 4.779 -7.713 -7.199 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.182 -10.427 -8.916 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.959 -8.681 -8.763 1.00 0.00 H new ATOM 58 N ILE A 5 7.617 -9.504 -4.778 1.00 0.00 N ATOM 59 CA ILE A 5 8.999 -9.940 -4.940 1.00 0.00 C ATOM 60 C ILE A 5 9.085 -11.457 -5.072 1.00 0.00 C ATOM 61 O ILE A 5 8.414 -12.192 -4.350 1.00 0.00 O ATOM 62 CB ILE A 5 9.874 -9.488 -3.755 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.770 -7.974 -3.564 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.321 -9.902 -3.978 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.178 -7.510 -2.184 1.00 0.00 C ATOM 0 H ILE A 5 7.113 -9.972 -4.025 1.00 0.00 H new ATOM 0 HA ILE A 5 9.371 -9.477 -5.854 1.00 0.00 H new ATOM 0 HB ILE A 5 9.513 -9.974 -2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.397 -7.478 -4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.743 -7.662 -3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.927 -9.576 -3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.379 -10.987 -4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.695 -9.440 -4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.079 -6.426 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.535 -7.977 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.214 -7.791 -1.997 1.00 0.00 H new ATOM 77 N ALA A 6 9.919 -11.917 -5.999 1.00 0.00 N ATOM 78 CA ALA A 6 10.097 -13.347 -6.224 1.00 0.00 C ATOM 79 C ALA A 6 11.183 -13.914 -5.317 1.00 0.00 C ATOM 80 O ALA A 6 12.289 -13.380 -5.223 1.00 0.00 O ATOM 81 CB ALA A 6 10.432 -13.614 -7.684 1.00 0.00 C ATOM 0 H ALA A 6 10.482 -11.321 -6.606 1.00 0.00 H new ATOM 0 HA ALA A 6 9.160 -13.848 -5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.562 -14.685 -7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.620 -13.253 -8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.354 -13.095 -7.946 1.00 0.00 H new ATOM 87 N PRO A 7 10.865 -15.022 -4.632 1.00 0.00 N ATOM 88 CA PRO A 7 11.801 -15.686 -3.720 1.00 0.00 C ATOM 89 C PRO A 7 12.953 -16.356 -4.460 1.00 0.00 C ATOM 90 O PRO A 7 13.192 -16.083 -5.635 1.00 0.00 O ATOM 91 CB PRO A 7 10.932 -16.734 -3.021 1.00 0.00 C ATOM 92 CG PRO A 7 9.825 -17.009 -3.979 1.00 0.00 C ATOM 93 CD PRO A 7 9.566 -15.713 -4.695 1.00 0.00 C ATOM 0 HA PRO A 7 12.274 -14.981 -3.037 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.501 -17.638 -2.803 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.550 -16.361 -2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.103 -17.794 -4.682 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.932 -17.351 -3.456 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.249 -15.879 -5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.780 -15.136 -4.209 1.00 0.00 H new ATOM 101 N GLY A 8 13.665 -17.237 -3.763 1.00 0.00 N ATOM 102 CA GLY A 8 14.784 -17.934 -4.370 1.00 0.00 C ATOM 103 C GLY A 8 16.122 -17.361 -3.947 1.00 0.00 C ATOM 104 O GLY A 8 17.171 -17.809 -4.410 1.00 0.00 O ATOM 0 H GLY A 8 13.487 -17.480 -2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.742 -18.989 -4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.696 -17.881 -5.455 1.00 0.00 H new ATOM 108 N SER A 9 16.087 -16.367 -3.065 1.00 0.00 N ATOM 109 CA SER A 9 17.306 -15.729 -2.583 1.00 0.00 C ATOM 110 C SER A 9 16.981 -14.614 -1.593 1.00 0.00 C ATOM 111 O SER A 9 16.241 -13.682 -1.911 1.00 0.00 O ATOM 112 CB SER A 9 18.110 -15.165 -3.757 1.00 0.00 C ATOM 113 OG SER A 9 19.368 -15.807 -3.867 1.00 0.00 O ATOM 0 H SER A 9 15.227 -15.986 -2.670 1.00 0.00 H new ATOM 0 HA SER A 9 17.903 -16.483 -2.071 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.549 -15.296 -4.682 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.255 -14.093 -3.621 1.00 0.00 H new ATOM 0 HG SER A 9 20.052 -15.264 -3.422 1.00 0.00 H new ATOM 119 N LEU A 10 17.538 -14.718 -0.392 1.00 0.00 N ATOM 120 CA LEU A 10 17.309 -13.719 0.647 1.00 0.00 C ATOM 121 C LEU A 10 17.913 -12.375 0.253 1.00 0.00 C ATOM 122 O LEU A 10 17.294 -11.327 0.436 1.00 0.00 O ATOM 123 CB LEU A 10 17.905 -14.190 1.975 1.00 0.00 C ATOM 124 CG LEU A 10 17.628 -13.301 3.187 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.620 -14.127 4.464 1.00 0.00 C ATOM 126 CD2 LEU A 10 18.659 -12.185 3.278 1.00 0.00 C ATOM 0 H LEU A 10 18.151 -15.484 -0.113 1.00 0.00 H new ATOM 0 HA LEU A 10 16.233 -13.592 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.524 -15.189 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.985 -14.280 1.854 1.00 0.00 H new ATOM 0 HG LEU A 10 16.644 -12.849 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.421 -13.477 5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.843 -14.889 4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.590 -14.608 4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 10 18.446 -11.562 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.655 -12.617 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.616 -11.575 2.375 1.00 0.00 H new ATOM 138 N ASP A 11 19.124 -12.414 -0.291 1.00 0.00 N ATOM 139 CA ASP A 11 19.811 -11.199 -0.715 1.00 0.00 C ATOM 140 C ASP A 11 18.995 -10.451 -1.765 1.00 0.00 C ATOM 141 O ASP A 11 18.841 -9.232 -1.694 1.00 0.00 O ATOM 142 CB ASP A 11 21.194 -11.538 -1.273 1.00 0.00 C ATOM 143 CG ASP A 11 21.123 -12.430 -2.497 1.00 0.00 C ATOM 144 OD1 ASP A 11 20.851 -13.638 -2.336 1.00 0.00 O ATOM 145 OD2 ASP A 11 21.337 -11.919 -3.616 1.00 0.00 O ATOM 0 H ASP A 11 19.650 -13.273 -0.449 1.00 0.00 H new ATOM 0 HA ASP A 11 19.927 -10.554 0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.715 -10.616 -1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.783 -12.033 -0.500 1.00 0.00 H new ATOM 150 N LYS A 12 18.475 -11.190 -2.739 1.00 0.00 N ATOM 151 CA LYS A 12 17.674 -10.598 -3.804 1.00 0.00 C ATOM 152 C LYS A 12 16.449 -9.890 -3.234 1.00 0.00 C ATOM 153 O LYS A 12 16.244 -8.699 -3.467 1.00 0.00 O ATOM 154 CB LYS A 12 17.237 -11.675 -4.800 1.00 0.00 C ATOM 155 CG LYS A 12 18.221 -11.887 -5.937 1.00 0.00 C ATOM 156 CD LYS A 12 17.588 -11.589 -7.286 1.00 0.00 C ATOM 157 CE LYS A 12 17.545 -10.094 -7.563 1.00 0.00 C ATOM 158 NZ LYS A 12 17.265 -9.804 -8.996 1.00 0.00 N ATOM 0 H LYS A 12 18.594 -12.200 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 12 18.289 -9.862 -4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.101 -12.617 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.267 -11.401 -5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.090 -11.245 -5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.580 -12.916 -5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.152 -12.090 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.576 -11.994 -7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.778 -9.631 -6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.497 -9.645 -7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.244 -8.775 -9.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.011 -10.224 -9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.345 -10.211 -9.259 1.00 0.00 H new ATOM 172 N ALA A 13 15.638 -10.631 -2.486 1.00 0.00 N ATOM 173 CA ALA A 13 14.435 -10.072 -1.880 1.00 0.00 C ATOM 174 C ALA A 13 14.764 -8.844 -1.039 1.00 0.00 C ATOM 175 O ALA A 13 14.010 -7.869 -1.023 1.00 0.00 O ATOM 176 CB ALA A 13 13.735 -11.123 -1.031 1.00 0.00 C ATOM 0 H ALA A 13 15.792 -11.619 -2.285 1.00 0.00 H new ATOM 0 HA ALA A 13 13.764 -9.762 -2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.839 -10.692 -0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.457 -11.971 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.407 -11.460 -0.242 1.00 0.00 H new ATOM 182 N LEU A 14 15.892 -8.895 -0.340 1.00 0.00 N ATOM 183 CA LEU A 14 16.321 -7.786 0.505 1.00 0.00 C ATOM 184 C LEU A 14 16.427 -6.496 -0.302 1.00 0.00 C ATOM 185 O LEU A 14 15.834 -5.479 0.055 1.00 0.00 O ATOM 186 CB LEU A 14 17.668 -8.106 1.156 1.00 0.00 C ATOM 187 CG LEU A 14 18.524 -6.902 1.552 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.796 -6.041 2.573 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.867 -7.361 2.101 1.00 0.00 C ATOM 0 H LEU A 14 16.527 -9.693 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 14 15.572 -7.645 1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.485 -8.706 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.244 -8.725 0.468 1.00 0.00 H new ATOM 0 HG LEU A 14 18.703 -6.300 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 14 18.421 -5.189 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.859 -5.683 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.585 -6.633 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.463 -6.492 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.707 -7.986 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.394 -7.935 1.339 1.00 0.00 H new ATOM 201 N ASN A 15 17.184 -6.547 -1.394 1.00 0.00 N ATOM 202 CA ASN A 15 17.366 -5.383 -2.253 1.00 0.00 C ATOM 203 C ASN A 15 16.060 -5.011 -2.948 1.00 0.00 C ATOM 204 O ASN A 15 15.795 -3.837 -3.204 1.00 0.00 O ATOM 205 CB ASN A 15 18.451 -5.658 -3.296 1.00 0.00 C ATOM 206 CG ASN A 15 19.769 -6.063 -2.665 1.00 0.00 C ATOM 207 OD1 ASN A 15 20.367 -5.301 -1.905 1.00 0.00 O ATOM 208 ND2 ASN A 15 20.229 -7.269 -2.978 1.00 0.00 N ATOM 0 H ASN A 15 17.681 -7.382 -1.704 1.00 0.00 H new ATOM 0 HA ASN A 15 17.676 -4.546 -1.628 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.114 -6.448 -3.967 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.601 -4.766 -3.904 1.00 0.00 H new ATOM 0 HD21 ASN A 15 21.111 -7.597 -2.584 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.700 -7.868 -3.612 1.00 0.00 H new ATOM 215 N GLN A 16 15.248 -6.019 -3.250 1.00 0.00 N ATOM 216 CA GLN A 16 13.970 -5.798 -3.916 1.00 0.00 C ATOM 217 C GLN A 16 13.066 -4.903 -3.074 1.00 0.00 C ATOM 218 O GLN A 16 12.601 -3.862 -3.538 1.00 0.00 O ATOM 219 CB GLN A 16 13.275 -7.132 -4.189 1.00 0.00 C ATOM 220 CG GLN A 16 14.024 -8.018 -5.172 1.00 0.00 C ATOM 221 CD GLN A 16 13.399 -8.016 -6.553 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.548 -7.181 -6.861 1.00 0.00 O ATOM 223 NE2 GLN A 16 13.820 -8.952 -7.395 1.00 0.00 N ATOM 0 H GLN A 16 15.453 -6.997 -3.044 1.00 0.00 H new ATOM 0 HA GLN A 16 14.165 -5.298 -4.865 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.154 -7.669 -3.248 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.275 -6.939 -4.576 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.058 -7.680 -5.245 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.048 -9.039 -4.790 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.527 -9.624 -7.098 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.436 -8.999 -8.339 1.00 0.00 H new ATOM 232 N TYR A 17 12.821 -5.316 -1.836 1.00 0.00 N ATOM 233 CA TYR A 17 11.970 -4.553 -0.930 1.00 0.00 C ATOM 234 C TYR A 17 12.678 -3.289 -0.452 1.00 0.00 C ATOM 235 O TYR A 17 12.055 -2.242 -0.282 1.00 0.00 O ATOM 236 CB TYR A 17 11.569 -5.412 0.271 1.00 0.00 C ATOM 237 CG TYR A 17 12.467 -5.228 1.473 1.00 0.00 C ATOM 238 CD1 TYR A 17 12.199 -4.251 2.423 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.584 -6.034 1.659 1.00 0.00 C ATOM 240 CE1 TYR A 17 13.017 -4.080 3.522 1.00 0.00 C ATOM 241 CE2 TYR A 17 14.408 -5.871 2.756 1.00 0.00 C ATOM 242 CZ TYR A 17 14.120 -4.892 3.685 1.00 0.00 C ATOM 243 OH TYR A 17 14.937 -4.725 4.780 1.00 0.00 O ATOM 0 H TYR A 17 13.199 -6.175 -1.436 1.00 0.00 H new ATOM 0 HA TYR A 17 11.073 -4.260 -1.475 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.544 -5.171 0.553 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.580 -6.461 -0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.336 -3.614 2.300 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.812 -6.801 0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.794 -3.314 4.250 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.272 -6.506 2.886 1.00 0.00 H new ATOM 0 HH TYR A 17 15.646 -4.083 4.565 1.00 0.00 H new ATOM 253 N ALA A 18 13.985 -3.396 -0.238 1.00 0.00 N ATOM 254 CA ALA A 18 14.780 -2.263 0.217 1.00 0.00 C ATOM 255 C ALA A 18 14.732 -1.118 -0.789 1.00 0.00 C ATOM 256 O ALA A 18 14.638 0.049 -0.412 1.00 0.00 O ATOM 257 CB ALA A 18 16.219 -2.692 0.463 1.00 0.00 C ATOM 0 H ALA A 18 14.516 -4.257 -0.373 1.00 0.00 H new ATOM 0 HA ALA A 18 14.354 -1.906 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.801 -1.835 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.241 -3.471 1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.647 -3.078 -0.462 1.00 0.00 H new ATOM 263 N ALA A 19 14.798 -1.462 -2.072 1.00 0.00 N ATOM 264 CA ALA A 19 14.760 -0.463 -3.132 1.00 0.00 C ATOM 265 C ALA A 19 13.351 0.090 -3.317 1.00 0.00 C ATOM 266 O ALA A 19 13.170 1.205 -3.806 1.00 0.00 O ATOM 267 CB ALA A 19 15.270 -1.058 -4.436 1.00 0.00 C ATOM 0 H ALA A 19 14.878 -2.424 -2.401 1.00 0.00 H new ATOM 0 HA ALA A 19 15.410 0.362 -2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 19 15.236 -0.301 -5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.297 -1.398 -4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.642 -1.903 -4.721 1.00 0.00 H new ATOM 273 N HIS A 20 12.355 -0.697 -2.922 1.00 0.00 N ATOM 274 CA HIS A 20 10.961 -0.286 -3.043 1.00 0.00 C ATOM 275 C HIS A 20 10.597 0.728 -1.962 1.00 0.00 C ATOM 276 O HIS A 20 9.692 1.542 -2.141 1.00 0.00 O ATOM 277 CB HIS A 20 10.038 -1.501 -2.950 1.00 0.00 C ATOM 278 CG HIS A 20 9.908 -2.254 -4.238 1.00 0.00 C ATOM 279 ND1 HIS A 20 9.783 -1.634 -5.464 1.00 0.00 N ATOM 280 CD2 HIS A 20 9.885 -3.584 -4.488 1.00 0.00 C ATOM 281 CE1 HIS A 20 9.688 -2.550 -6.411 1.00 0.00 C ATOM 282 NE2 HIS A 20 9.747 -3.742 -5.845 1.00 0.00 N ATOM 0 H HIS A 20 12.488 -1.623 -2.515 1.00 0.00 H new ATOM 0 HA HIS A 20 10.831 0.185 -4.017 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.415 -2.175 -2.181 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.049 -1.172 -2.629 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.961 -4.374 -3.756 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.580 -2.357 -7.468 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.698 -4.635 -6.336 1.00 0.00 H new ATOM 290 N SER A 21 11.309 0.670 -0.841 1.00 0.00 N ATOM 291 CA SER A 21 11.058 1.580 0.271 1.00 0.00 C ATOM 292 C SER A 21 11.917 2.835 0.151 1.00 0.00 C ATOM 293 O SER A 21 11.403 3.937 -0.039 1.00 0.00 O ATOM 294 CB SER A 21 11.339 0.881 1.603 1.00 0.00 C ATOM 295 OG SER A 21 11.173 1.773 2.691 1.00 0.00 O ATOM 0 H SER A 21 12.064 0.003 -0.679 1.00 0.00 H new ATOM 0 HA SER A 21 10.009 1.875 0.237 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.667 0.031 1.720 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.355 0.487 1.603 1.00 0.00 H new ATOM 0 HG SER A 21 12.050 2.097 2.985 1.00 0.00 H new ATOM 301 N GLY A 22 13.230 2.659 0.263 1.00 0.00 N ATOM 302 CA GLY A 22 14.141 3.784 0.165 1.00 0.00 C ATOM 303 C GLY A 22 14.975 3.966 1.417 1.00 0.00 C ATOM 304 O GLY A 22 15.509 5.048 1.665 1.00 0.00 O ATOM 0 H GLY A 22 13.679 1.757 0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.802 3.639 -0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.571 4.694 -0.023 1.00 0.00 H new ATOM 308 N PHE A 23 15.087 2.906 2.211 1.00 0.00 N ATOM 309 CA PHE A 23 15.859 2.955 3.447 1.00 0.00 C ATOM 310 C PHE A 23 17.025 1.971 3.398 1.00 0.00 C ATOM 311 O PHE A 23 17.121 1.148 2.487 1.00 0.00 O ATOM 312 CB PHE A 23 14.963 2.642 4.646 1.00 0.00 C ATOM 313 CG PHE A 23 14.757 1.172 4.874 1.00 0.00 C ATOM 314 CD1 PHE A 23 14.037 0.412 3.966 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.283 0.550 5.994 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.845 -0.941 4.173 1.00 0.00 C ATOM 317 CE2 PHE A 23 15.095 -0.803 6.207 1.00 0.00 C ATOM 318 CZ PHE A 23 14.375 -1.550 5.294 1.00 0.00 C ATOM 0 H PHE A 23 14.653 2.003 2.020 1.00 0.00 H new ATOM 0 HA PHE A 23 16.260 3.963 3.556 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.401 3.082 5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 23 13.993 3.118 4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.621 0.882 3.087 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.847 1.129 6.710 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.281 -1.522 3.459 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.510 -1.275 7.085 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.227 -2.607 5.457 1.00 0.00 H new ATOM 328 N THR A 24 17.910 2.062 4.386 1.00 0.00 N ATOM 329 CA THR A 24 19.070 1.182 4.456 1.00 0.00 C ATOM 330 C THR A 24 18.880 0.106 5.518 1.00 0.00 C ATOM 331 O THR A 24 18.217 0.329 6.532 1.00 0.00 O ATOM 332 CB THR A 24 20.356 1.972 4.766 1.00 0.00 C ATOM 333 OG1 THR A 24 20.463 3.098 3.889 1.00 0.00 O ATOM 334 CG2 THR A 24 21.584 1.087 4.616 1.00 0.00 C ATOM 0 H THR A 24 17.845 2.736 5.149 1.00 0.00 H new ATOM 0 HA THR A 24 19.169 0.710 3.478 1.00 0.00 H new ATOM 0 HB THR A 24 20.302 2.320 5.798 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.282 3.596 4.094 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.480 1.666 4.840 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.513 0.247 5.307 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.640 0.713 3.594 1.00 0.00 H new ATOM 342 N LEU A 25 19.465 -1.063 5.281 1.00 0.00 N ATOM 343 CA LEU A 25 19.361 -2.176 6.218 1.00 0.00 C ATOM 344 C LEU A 25 20.700 -2.891 6.366 1.00 0.00 C ATOM 345 O LEU A 25 21.416 -3.098 5.386 1.00 0.00 O ATOM 346 CB LEU A 25 18.291 -3.164 5.751 1.00 0.00 C ATOM 347 CG LEU A 25 18.073 -4.388 6.640 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.862 -4.187 7.538 1.00 0.00 C ATOM 349 CD2 LEU A 25 17.908 -5.641 5.792 1.00 0.00 C ATOM 0 H LEU A 25 20.017 -1.265 4.447 1.00 0.00 H new ATOM 0 HA LEU A 25 19.076 -1.774 7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.345 -2.630 5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.555 -3.509 4.751 1.00 0.00 H new ATOM 0 HG LEU A 25 18.952 -4.515 7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.723 -5.069 8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.020 -3.314 8.171 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.975 -4.034 6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.754 -6.502 6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.047 -5.524 5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.805 -5.795 5.192 1.00 0.00 H new ATOM 361 N SER A 26 21.031 -3.267 7.597 1.00 0.00 N ATOM 362 CA SER A 26 22.286 -3.958 7.874 1.00 0.00 C ATOM 363 C SER A 26 22.029 -5.297 8.558 1.00 0.00 C ATOM 364 O SER A 26 21.733 -5.350 9.752 1.00 0.00 O ATOM 365 CB SER A 26 23.188 -3.089 8.751 1.00 0.00 C ATOM 366 OG SER A 26 24.527 -3.112 8.286 1.00 0.00 O ATOM 0 H SER A 26 20.448 -3.105 8.418 1.00 0.00 H new ATOM 0 HA SER A 26 22.787 -4.145 6.924 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.818 -2.064 8.754 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.151 -3.445 9.781 1.00 0.00 H new ATOM 0 HG SER A 26 25.083 -2.547 8.862 1.00 0.00 H new ATOM 372 N VAL A 27 22.144 -6.378 7.793 1.00 0.00 N ATOM 373 CA VAL A 27 21.926 -7.718 8.324 1.00 0.00 C ATOM 374 C VAL A 27 23.058 -8.658 7.926 1.00 0.00 C ATOM 375 O VAL A 27 23.529 -8.632 6.788 1.00 0.00 O ATOM 376 CB VAL A 27 20.589 -8.305 7.834 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.436 -8.106 6.334 1.00 0.00 C ATOM 378 CG2 VAL A 27 20.489 -9.778 8.198 1.00 0.00 C ATOM 0 H VAL A 27 22.387 -6.352 6.803 1.00 0.00 H new ATOM 0 HA VAL A 27 21.898 -7.628 9.410 1.00 0.00 H new ATOM 0 HB VAL A 27 19.776 -7.776 8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.486 -8.527 6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.460 -7.041 6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.253 -8.607 5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.538 -10.176 7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.308 -10.325 7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.549 -9.890 9.281 1.00 0.00 H new ATOM 388 N ASP A 28 23.489 -9.488 8.868 1.00 0.00 N ATOM 389 CA ASP A 28 24.565 -10.439 8.616 1.00 0.00 C ATOM 390 C ASP A 28 24.219 -11.354 7.445 1.00 0.00 C ATOM 391 O ASP A 28 23.503 -12.342 7.607 1.00 0.00 O ATOM 392 CB ASP A 28 24.841 -11.275 9.867 1.00 0.00 C ATOM 393 CG ASP A 28 25.272 -10.426 11.046 1.00 0.00 C ATOM 394 OD1 ASP A 28 26.422 -9.938 11.038 1.00 0.00 O ATOM 395 OD2 ASP A 28 24.460 -10.248 11.978 1.00 0.00 O ATOM 0 H ASP A 28 23.110 -9.522 9.814 1.00 0.00 H new ATOM 0 HA ASP A 28 25.462 -9.874 8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 28 23.943 -11.833 10.133 1.00 0.00 H new ATOM 0 HB3 ASP A 28 25.618 -12.007 9.647 1.00 0.00 H new ATOM 524 N SER A 37 14.655 -16.315 1.352 1.00 0.00 N ATOM 525 CA SER A 37 13.589 -15.565 2.006 1.00 0.00 C ATOM 526 C SER A 37 12.283 -15.685 1.227 1.00 0.00 C ATOM 527 O SER A 37 12.286 -15.952 0.026 1.00 0.00 O ATOM 528 CB SER A 37 13.982 -14.092 2.142 1.00 0.00 C ATOM 529 OG SER A 37 12.890 -13.313 2.597 1.00 0.00 O ATOM 0 HA SER A 37 13.439 -15.987 3.000 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.815 -13.997 2.838 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.326 -13.714 1.179 1.00 0.00 H new ATOM 0 HG SER A 37 12.427 -13.789 3.318 1.00 0.00 H new ATOM 535 N ASN A 38 11.167 -15.485 1.921 1.00 0.00 N ATOM 536 CA ASN A 38 9.852 -15.572 1.295 1.00 0.00 C ATOM 537 C ASN A 38 9.506 -14.271 0.575 1.00 0.00 C ATOM 538 O ASN A 38 9.477 -13.202 1.183 1.00 0.00 O ATOM 539 CB ASN A 38 8.784 -15.887 2.344 1.00 0.00 C ATOM 540 CG ASN A 38 7.558 -16.543 1.741 1.00 0.00 C ATOM 541 OD1 ASN A 38 6.695 -15.871 1.175 1.00 0.00 O ATOM 542 ND2 ASN A 38 7.474 -17.863 1.861 1.00 0.00 N ATOM 0 H ASN A 38 11.147 -15.262 2.916 1.00 0.00 H new ATOM 0 HA ASN A 38 9.879 -16.377 0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.207 -16.544 3.104 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.490 -14.966 2.847 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.671 -18.360 1.476 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.213 -18.380 2.338 1.00 0.00 H new ATOM 549 N GLY A 39 9.243 -14.372 -0.724 1.00 0.00 N ATOM 550 CA GLY A 39 8.902 -13.198 -1.505 1.00 0.00 C ATOM 551 C GLY A 39 7.715 -12.447 -0.935 1.00 0.00 C ATOM 552 O GLY A 39 7.066 -12.916 0.001 1.00 0.00 O ATOM 0 H GLY A 39 9.260 -15.246 -1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.763 -12.531 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.680 -13.499 -2.529 1.00 0.00 H new ATOM 556 N LEU A 40 7.431 -11.278 -1.497 1.00 0.00 N ATOM 557 CA LEU A 40 6.314 -10.459 -1.038 1.00 0.00 C ATOM 558 C LEU A 40 5.185 -10.453 -2.063 1.00 0.00 C ATOM 559 O LEU A 40 5.409 -10.692 -3.250 1.00 0.00 O ATOM 560 CB LEU A 40 6.783 -9.027 -0.769 1.00 0.00 C ATOM 561 CG LEU A 40 5.809 -8.136 0.001 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.416 -8.788 1.318 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.420 -6.764 0.245 1.00 0.00 C ATOM 0 H LEU A 40 7.959 -10.875 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 40 5.935 -10.891 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.720 -9.071 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.001 -8.552 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 40 4.909 -8.009 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.722 -8.139 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.937 -9.747 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.307 -8.946 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.712 -6.143 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.336 -6.872 0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.650 -6.293 -0.711 1.00 0.00 H new ATOM 575 N HIS A 41 3.971 -10.175 -1.598 1.00 0.00 N ATOM 576 CA HIS A 41 2.807 -10.134 -2.475 1.00 0.00 C ATOM 577 C HIS A 41 1.654 -9.385 -1.814 1.00 0.00 C ATOM 578 O HIS A 41 0.957 -9.928 -0.958 1.00 0.00 O ATOM 579 CB HIS A 41 2.366 -11.552 -2.839 1.00 0.00 C ATOM 580 CG HIS A 41 2.018 -11.719 -4.286 1.00 0.00 C ATOM 581 ND1 HIS A 41 1.938 -12.949 -4.904 1.00 0.00 N ATOM 582 CD2 HIS A 41 1.727 -10.801 -5.238 1.00 0.00 C ATOM 583 CE1 HIS A 41 1.614 -12.781 -6.174 1.00 0.00 C ATOM 584 NE2 HIS A 41 1.479 -11.487 -6.402 1.00 0.00 N ATOM 0 H HIS A 41 3.768 -9.975 -0.619 1.00 0.00 H new ATOM 0 HA HIS A 41 3.088 -9.603 -3.385 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.164 -12.249 -2.583 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.501 -11.822 -2.233 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.696 -9.729 -5.107 1.00 0.00 H new ATOM 0 HE1 HIS A 41 1.482 -13.568 -6.902 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.231 -11.066 -7.297 1.00 0.00 H new ATOM 592 N GLY A 42 1.460 -8.132 -2.217 1.00 0.00 N ATOM 593 CA GLY A 42 0.392 -7.328 -1.652 1.00 0.00 C ATOM 594 C GLY A 42 0.875 -5.970 -1.183 1.00 0.00 C ATOM 595 O GLY A 42 2.060 -5.654 -1.289 1.00 0.00 O ATOM 0 H GLY A 42 2.023 -7.660 -2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.391 -7.194 -2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.055 -7.861 -0.813 1.00 0.00 H new ATOM 599 N ASP A 43 -0.045 -5.164 -0.664 1.00 0.00 N ATOM 600 CA ASP A 43 0.292 -3.832 -0.177 1.00 0.00 C ATOM 601 C ASP A 43 0.882 -3.900 1.228 1.00 0.00 C ATOM 602 O ASP A 43 0.173 -4.168 2.198 1.00 0.00 O ATOM 603 CB ASP A 43 -0.947 -2.935 -0.180 1.00 0.00 C ATOM 604 CG ASP A 43 -0.785 -1.721 0.713 1.00 0.00 C ATOM 605 OD1 ASP A 43 -0.969 -1.859 1.941 1.00 0.00 O ATOM 606 OD2 ASP A 43 -0.474 -0.633 0.185 1.00 0.00 O ATOM 0 H ASP A 43 -1.030 -5.410 -0.570 1.00 0.00 H new ATOM 0 HA ASP A 43 1.040 -3.407 -0.846 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.153 -2.608 -1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.811 -3.512 0.150 1.00 0.00 H new ATOM 611 N TYR A 44 2.184 -3.657 1.329 1.00 0.00 N ATOM 612 CA TYR A 44 2.871 -3.694 2.615 1.00 0.00 C ATOM 613 C TYR A 44 3.916 -2.586 2.707 1.00 0.00 C ATOM 614 O TYR A 44 4.791 -2.471 1.849 1.00 0.00 O ATOM 615 CB TYR A 44 3.535 -5.056 2.823 1.00 0.00 C ATOM 616 CG TYR A 44 2.557 -6.209 2.849 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.716 -6.407 3.937 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.475 -7.099 1.786 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.821 -7.460 3.965 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.583 -8.154 1.805 1.00 0.00 C ATOM 621 CZ TYR A 44 0.758 -8.330 2.897 1.00 0.00 C ATOM 622 OH TYR A 44 -0.132 -9.379 2.920 1.00 0.00 O ATOM 0 H TYR A 44 2.785 -3.432 0.536 1.00 0.00 H new ATOM 0 HA TYR A 44 2.130 -3.535 3.399 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.260 -5.223 2.026 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.091 -5.041 3.761 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.762 -5.727 4.775 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.119 -6.964 0.930 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.175 -7.601 4.819 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.532 -8.837 0.970 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.050 -9.896 2.091 1.00 0.00 H new ATOM 632 N ASP A 45 3.818 -1.775 3.754 1.00 0.00 N ATOM 633 CA ASP A 45 4.755 -0.676 3.961 1.00 0.00 C ATOM 634 C ASP A 45 6.184 -1.197 4.081 1.00 0.00 C ATOM 635 O ASP A 45 6.437 -2.390 3.915 1.00 0.00 O ATOM 636 CB ASP A 45 4.379 0.113 5.216 1.00 0.00 C ATOM 637 CG ASP A 45 2.979 0.688 5.140 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.487 0.907 4.014 1.00 0.00 O ATOM 639 OD2 ASP A 45 2.374 0.921 6.208 1.00 0.00 O ATOM 0 H ASP A 45 3.099 -1.857 4.473 1.00 0.00 H new ATOM 0 HA ASP A 45 4.700 -0.015 3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.455 -0.538 6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.094 0.923 5.360 1.00 0.00 H new ATOM 644 N VAL A 46 7.115 -0.293 4.368 1.00 0.00 N ATOM 645 CA VAL A 46 8.519 -0.660 4.510 1.00 0.00 C ATOM 646 C VAL A 46 8.708 -1.694 5.615 1.00 0.00 C ATOM 647 O VAL A 46 9.396 -2.697 5.428 1.00 0.00 O ATOM 648 CB VAL A 46 9.393 0.570 4.819 1.00 0.00 C ATOM 649 CG1 VAL A 46 8.844 1.328 6.018 1.00 0.00 C ATOM 650 CG2 VAL A 46 10.836 0.152 5.057 1.00 0.00 C ATOM 0 H VAL A 46 6.922 0.699 4.507 1.00 0.00 H new ATOM 0 HA VAL A 46 8.831 -1.088 3.558 1.00 0.00 H new ATOM 0 HB VAL A 46 9.369 1.236 3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.475 2.194 6.221 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.828 1.661 5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.835 0.673 6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.439 1.034 5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.881 -0.535 5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.223 -0.342 4.166 1.00 0.00 H new ATOM 660 N GLU A 47 8.091 -1.442 6.765 1.00 0.00 N ATOM 661 CA GLU A 47 8.192 -2.352 7.900 1.00 0.00 C ATOM 662 C GLU A 47 7.354 -3.606 7.669 1.00 0.00 C ATOM 663 O GLU A 47 7.845 -4.727 7.805 1.00 0.00 O ATOM 664 CB GLU A 47 7.739 -1.653 9.184 1.00 0.00 C ATOM 665 CG GLU A 47 8.693 -0.568 9.656 1.00 0.00 C ATOM 666 CD GLU A 47 8.213 0.123 10.917 1.00 0.00 C ATOM 667 OE1 GLU A 47 8.264 -0.508 11.994 1.00 0.00 O ATOM 668 OE2 GLU A 47 7.788 1.293 10.829 1.00 0.00 O ATOM 0 H GLU A 47 7.517 -0.616 6.935 1.00 0.00 H new ATOM 0 HA GLU A 47 9.236 -2.648 8.004 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.755 -1.214 9.021 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.629 -2.397 9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.674 -1.006 9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.816 0.172 8.865 1.00 0.00 H new ATOM 675 N SER A 48 6.088 -3.408 7.318 1.00 0.00 N ATOM 676 CA SER A 48 5.180 -4.522 7.071 1.00 0.00 C ATOM 677 C SER A 48 5.762 -5.478 6.034 1.00 0.00 C ATOM 678 O SER A 48 5.831 -6.686 6.256 1.00 0.00 O ATOM 679 CB SER A 48 3.820 -4.004 6.598 1.00 0.00 C ATOM 680 OG SER A 48 2.875 -4.013 7.654 1.00 0.00 O ATOM 0 H SER A 48 5.667 -2.487 7.198 1.00 0.00 H new ATOM 0 HA SER A 48 5.048 -5.065 8.007 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.928 -2.991 6.211 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.458 -4.622 5.776 1.00 0.00 H new ATOM 0 HG SER A 48 2.015 -3.676 7.326 1.00 0.00 H new ATOM 686 N GLY A 49 6.179 -4.926 4.898 1.00 0.00 N ATOM 687 CA GLY A 49 6.749 -5.742 3.842 1.00 0.00 C ATOM 688 C GLY A 49 8.036 -6.422 4.266 1.00 0.00 C ATOM 689 O GLY A 49 8.255 -7.596 3.966 1.00 0.00 O ATOM 0 H GLY A 49 6.132 -3.928 4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.024 -6.498 3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.942 -5.118 2.969 1.00 0.00 H new ATOM 693 N LEU A 50 8.891 -5.682 4.964 1.00 0.00 N ATOM 694 CA LEU A 50 10.165 -6.220 5.429 1.00 0.00 C ATOM 695 C LEU A 50 9.951 -7.457 6.296 1.00 0.00 C ATOM 696 O LEU A 50 10.536 -8.510 6.045 1.00 0.00 O ATOM 697 CB LEU A 50 10.932 -5.157 6.218 1.00 0.00 C ATOM 698 CG LEU A 50 11.906 -5.679 7.275 1.00 0.00 C ATOM 699 CD1 LEU A 50 12.914 -6.631 6.649 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.618 -4.523 7.962 1.00 0.00 C ATOM 0 H LEU A 50 8.725 -4.709 5.220 1.00 0.00 H new ATOM 0 HA LEU A 50 10.750 -6.508 4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.489 -4.541 5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.209 -4.505 6.709 1.00 0.00 H new ATOM 0 HG LEU A 50 11.337 -6.227 8.026 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.599 -6.992 7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.389 -7.476 6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.478 -6.108 5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.307 -4.914 8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.174 -3.947 7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.883 -3.879 8.446 1.00 0.00 H new ATOM 712 N GLN A 51 9.108 -7.321 7.314 1.00 0.00 N ATOM 713 CA GLN A 51 8.815 -8.428 8.216 1.00 0.00 C ATOM 714 C GLN A 51 8.160 -9.583 7.466 1.00 0.00 C ATOM 715 O GLN A 51 8.240 -10.736 7.890 1.00 0.00 O ATOM 716 CB GLN A 51 7.904 -7.961 9.353 1.00 0.00 C ATOM 717 CG GLN A 51 8.460 -6.780 10.131 1.00 0.00 C ATOM 718 CD GLN A 51 9.064 -7.189 11.460 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.571 -6.807 12.523 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.136 -7.971 11.409 1.00 0.00 N ATOM 0 H GLN A 51 8.616 -6.455 7.535 1.00 0.00 H new ATOM 0 HA GLN A 51 9.757 -8.779 8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.932 -7.689 8.941 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.738 -8.792 10.039 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.219 -6.279 9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.663 -6.057 10.306 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.511 -8.264 10.507 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.584 -8.279 12.272 1.00 0.00 H new ATOM 729 N GLN A 52 7.512 -9.266 6.350 1.00 0.00 N ATOM 730 CA GLN A 52 6.842 -10.277 5.541 1.00 0.00 C ATOM 731 C GLN A 52 7.855 -11.111 4.764 1.00 0.00 C ATOM 732 O GLN A 52 7.595 -12.267 4.426 1.00 0.00 O ATOM 733 CB GLN A 52 5.857 -9.618 4.574 1.00 0.00 C ATOM 734 CG GLN A 52 4.459 -10.212 4.632 1.00 0.00 C ATOM 735 CD GLN A 52 4.386 -11.595 4.015 1.00 0.00 C ATOM 736 OE1 GLN A 52 4.719 -11.783 2.844 1.00 0.00 O ATOM 737 NE2 GLN A 52 3.948 -12.572 4.800 1.00 0.00 N ATOM 0 H GLN A 52 7.437 -8.316 5.985 1.00 0.00 H new ATOM 0 HA GLN A 52 6.293 -10.937 6.212 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.800 -8.553 4.797 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.241 -9.711 3.558 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.133 -10.264 5.671 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.765 -9.550 4.114 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.683 -12.371 5.764 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.877 -13.523 4.439 1.00 0.00 H new ATOM 746 N LEU A 53 9.010 -10.518 4.482 1.00 0.00 N ATOM 747 CA LEU A 53 10.063 -11.206 3.743 1.00 0.00 C ATOM 748 C LEU A 53 10.746 -12.254 4.617 1.00 0.00 C ATOM 749 O LEU A 53 10.808 -13.431 4.259 1.00 0.00 O ATOM 750 CB LEU A 53 11.095 -10.200 3.232 1.00 0.00 C ATOM 751 CG LEU A 53 11.053 -9.898 1.733 1.00 0.00 C ATOM 752 CD1 LEU A 53 9.618 -9.887 1.231 1.00 0.00 C ATOM 753 CD2 LEU A 53 11.735 -8.570 1.438 1.00 0.00 C ATOM 0 H LEU A 53 9.241 -9.562 4.754 1.00 0.00 H new ATOM 0 HA LEU A 53 9.606 -11.711 2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.960 -9.264 3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.089 -10.572 3.480 1.00 0.00 H new ATOM 0 HG LEU A 53 11.593 -10.685 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.608 -9.671 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.163 -10.862 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.053 -9.121 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.696 -8.371 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.223 -7.771 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.775 -8.615 1.761 1.00 0.00 H new ATOM 765 N LEU A 54 11.255 -11.818 5.764 1.00 0.00 N ATOM 766 CA LEU A 54 11.931 -12.719 6.691 1.00 0.00 C ATOM 767 C LEU A 54 10.922 -13.504 7.522 1.00 0.00 C ATOM 768 O LEU A 54 11.292 -14.393 8.289 1.00 0.00 O ATOM 769 CB LEU A 54 12.862 -11.928 7.612 1.00 0.00 C ATOM 770 CG LEU A 54 12.291 -11.550 8.979 1.00 0.00 C ATOM 771 CD1 LEU A 54 10.858 -11.060 8.842 1.00 0.00 C ATOM 772 CD2 LEU A 54 12.363 -12.733 9.934 1.00 0.00 C ATOM 0 H LEU A 54 11.213 -10.847 6.074 1.00 0.00 H new ATOM 0 HA LEU A 54 12.520 -13.426 6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.769 -12.513 7.768 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.157 -11.013 7.098 1.00 0.00 H new ATOM 0 HG LEU A 54 12.893 -10.740 9.391 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.468 -10.796 9.825 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.833 -10.184 8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.244 -11.849 8.408 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.952 -12.445 10.902 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.786 -13.564 9.528 1.00 0.00 H new ATOM 0 HD23 LEU A 54 13.402 -13.038 10.057 1.00 0.00 H new ATOM 784 N ASP A 55 9.646 -13.172 7.362 1.00 0.00 N ATOM 785 CA ASP A 55 8.582 -13.848 8.095 1.00 0.00 C ATOM 786 C ASP A 55 8.734 -15.363 8.000 1.00 0.00 C ATOM 787 O ASP A 55 8.647 -15.939 6.916 1.00 0.00 O ATOM 788 CB ASP A 55 7.214 -13.426 7.556 1.00 0.00 C ATOM 789 CG ASP A 55 6.165 -14.506 7.730 1.00 0.00 C ATOM 790 OD1 ASP A 55 5.719 -14.722 8.876 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.789 -15.137 6.719 1.00 0.00 O ATOM 0 H ASP A 55 9.323 -12.439 6.731 1.00 0.00 H new ATOM 0 HA ASP A 55 8.656 -13.558 9.143 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.888 -12.521 8.069 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.304 -13.178 6.498 1.00 0.00 H new ATOM 796 N GLY A 56 8.964 -16.003 9.142 1.00 0.00 N ATOM 797 CA GLY A 56 9.126 -17.445 9.165 1.00 0.00 C ATOM 798 C GLY A 56 10.107 -17.901 10.227 1.00 0.00 C ATOM 799 O GLY A 56 9.968 -18.990 10.784 1.00 0.00 O ATOM 0 H GLY A 56 9.041 -15.549 10.052 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.158 -17.914 9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.469 -17.785 8.188 1.00 0.00 H new ATOM 803 N SER A 57 11.105 -17.068 10.506 1.00 0.00 N ATOM 804 CA SER A 57 12.117 -17.394 11.504 1.00 0.00 C ATOM 805 C SER A 57 11.810 -16.709 12.832 1.00 0.00 C ATOM 806 O SER A 57 12.034 -17.276 13.901 1.00 0.00 O ATOM 807 CB SER A 57 13.503 -16.976 11.010 1.00 0.00 C ATOM 808 OG SER A 57 13.445 -15.749 10.303 1.00 0.00 O ATOM 0 H SER A 57 11.234 -16.162 10.055 1.00 0.00 H new ATOM 0 HA SER A 57 12.105 -18.473 11.660 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.181 -16.879 11.858 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.911 -17.753 10.363 1.00 0.00 H new ATOM 0 HG SER A 57 14.344 -15.504 9.999 1.00 0.00 H new ATOM 814 N GLY A 58 11.297 -15.485 12.755 1.00 0.00 N ATOM 815 CA GLY A 58 10.968 -14.742 13.958 1.00 0.00 C ATOM 816 C GLY A 58 12.166 -14.017 14.538 1.00 0.00 C ATOM 817 O GLY A 58 12.922 -14.585 15.327 1.00 0.00 O ATOM 0 H GLY A 58 11.103 -14.995 11.882 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.184 -14.019 13.732 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.565 -15.426 14.705 1.00 0.00 H new ATOM 821 N LEU A 59 12.342 -12.760 14.145 1.00 0.00 N ATOM 822 CA LEU A 59 13.458 -11.956 14.630 1.00 0.00 C ATOM 823 C LEU A 59 13.003 -10.541 14.970 1.00 0.00 C ATOM 824 O LEU A 59 11.857 -10.171 14.718 1.00 0.00 O ATOM 825 CB LEU A 59 14.571 -11.908 13.581 1.00 0.00 C ATOM 826 CG LEU A 59 15.436 -13.164 13.463 1.00 0.00 C ATOM 827 CD1 LEU A 59 14.990 -14.010 12.280 1.00 0.00 C ATOM 828 CD2 LEU A 59 16.905 -12.789 13.328 1.00 0.00 C ATOM 0 H LEU A 59 11.726 -12.276 13.492 1.00 0.00 H new ATOM 0 HA LEU A 59 13.842 -12.422 15.538 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.119 -11.710 12.609 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.221 -11.063 13.808 1.00 0.00 H new ATOM 0 HG LEU A 59 15.313 -13.753 14.372 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.617 -14.899 12.212 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.951 -14.308 12.417 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.083 -13.430 11.362 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.506 -13.695 13.245 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.044 -12.179 12.436 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.219 -12.225 14.206 1.00 0.00 H new ATOM 840 N GLN A 60 13.910 -9.754 15.540 1.00 0.00 N ATOM 841 CA GLN A 60 13.601 -8.379 15.913 1.00 0.00 C ATOM 842 C GLN A 60 14.317 -7.392 14.996 1.00 0.00 C ATOM 843 O GLN A 60 15.433 -7.647 14.544 1.00 0.00 O ATOM 844 CB GLN A 60 13.997 -8.121 17.368 1.00 0.00 C ATOM 845 CG GLN A 60 15.488 -7.898 17.562 1.00 0.00 C ATOM 846 CD GLN A 60 16.041 -8.655 18.753 1.00 0.00 C ATOM 847 OE1 GLN A 60 16.079 -8.136 19.869 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.473 -9.889 18.522 1.00 0.00 N ATOM 0 H GLN A 60 14.864 -10.045 15.753 1.00 0.00 H new ATOM 0 HA GLN A 60 12.526 -8.233 15.805 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.457 -7.248 17.733 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.682 -8.968 17.977 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.018 -8.208 16.661 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.678 -6.833 17.693 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.422 -10.279 17.581 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.855 -10.447 19.286 1.00 0.00 H new ATOM 857 N VAL A 61 13.667 -6.265 14.725 1.00 0.00 N ATOM 858 CA VAL A 61 14.242 -5.239 13.863 1.00 0.00 C ATOM 859 C VAL A 61 14.246 -3.880 14.553 1.00 0.00 C ATOM 860 O VAL A 61 13.195 -3.348 14.908 1.00 0.00 O ATOM 861 CB VAL A 61 13.470 -5.126 12.534 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.303 -4.393 11.494 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.069 -6.505 12.033 1.00 0.00 C ATOM 0 H VAL A 61 12.742 -6.039 15.090 1.00 0.00 H new ATOM 0 HA VAL A 61 15.269 -5.540 13.654 1.00 0.00 H new ATOM 0 HB VAL A 61 12.561 -4.550 12.709 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.742 -4.323 10.562 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.535 -3.391 11.854 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.230 -4.939 11.319 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.525 -6.407 11.094 1.00 0.00 H new ATOM 0 HG22 VAL A 61 13.963 -7.108 11.873 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.432 -6.990 12.773 1.00 0.00 H new ATOM 873 N LYS A 62 15.438 -3.322 14.740 1.00 0.00 N ATOM 874 CA LYS A 62 15.581 -2.023 15.386 1.00 0.00 C ATOM 875 C LYS A 62 16.509 -1.116 14.584 1.00 0.00 C ATOM 876 O LYS A 62 17.519 -1.553 14.033 1.00 0.00 O ATOM 877 CB LYS A 62 16.121 -2.194 16.808 1.00 0.00 C ATOM 878 CG LYS A 62 17.335 -3.103 16.892 1.00 0.00 C ATOM 879 CD LYS A 62 16.955 -4.501 17.348 1.00 0.00 C ATOM 880 CE LYS A 62 18.061 -5.138 18.175 1.00 0.00 C ATOM 881 NZ LYS A 62 19.379 -5.069 17.486 1.00 0.00 N ATOM 0 H LYS A 62 16.319 -3.750 14.453 1.00 0.00 H new ATOM 0 HA LYS A 62 14.597 -1.557 15.431 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.382 -1.215 17.209 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.331 -2.597 17.442 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.819 -3.157 15.917 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.061 -2.678 17.585 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.039 -4.456 17.937 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.745 -5.124 16.478 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.129 -4.635 19.140 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.810 -6.180 18.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.085 -5.602 18.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.295 -5.481 16.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.678 -4.076 17.408 1.00 0.00 H new ATOM 895 N PRO A 63 16.162 0.178 14.518 1.00 0.00 N ATOM 896 CA PRO A 63 16.952 1.174 13.788 1.00 0.00 C ATOM 897 C PRO A 63 18.286 1.466 14.466 1.00 0.00 C ATOM 898 O PRO A 63 18.469 1.176 15.649 1.00 0.00 O ATOM 899 CB PRO A 63 16.060 2.417 13.806 1.00 0.00 C ATOM 900 CG PRO A 63 15.198 2.248 15.009 1.00 0.00 C ATOM 901 CD PRO A 63 14.971 0.769 15.151 1.00 0.00 C ATOM 0 HA PRO A 63 17.211 0.833 12.786 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.653 3.329 13.869 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.462 2.488 12.897 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.682 2.655 15.896 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.253 2.778 14.890 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.884 0.475 16.197 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.054 0.454 14.654 1.00 0.00 H new ATOM 909 N LEU A 64 19.215 2.041 13.711 1.00 0.00 N ATOM 910 CA LEU A 64 20.533 2.374 14.239 1.00 0.00 C ATOM 911 C LEU A 64 20.834 3.858 14.058 1.00 0.00 C ATOM 912 O LEU A 64 21.019 4.588 15.031 1.00 0.00 O ATOM 913 CB LEU A 64 21.609 1.535 13.546 1.00 0.00 C ATOM 914 CG LEU A 64 21.205 0.111 13.163 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.301 -0.551 12.342 1.00 0.00 C ATOM 916 CD2 LEU A 64 20.898 -0.710 14.407 1.00 0.00 C ATOM 0 H LEU A 64 19.080 2.287 12.730 1.00 0.00 H new ATOM 0 HA LEU A 64 20.537 2.149 15.306 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.923 2.058 12.643 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.478 1.481 14.202 1.00 0.00 H new ATOM 0 HG LEU A 64 20.302 0.161 12.554 1.00 0.00 H new ATOM 0 HD11 LEU A 64 21.997 -1.564 12.078 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.473 0.025 11.433 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.220 -0.589 12.926 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.612 -1.720 14.115 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.783 -0.752 15.042 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.079 -0.246 14.956 1.00 0.00 H new ATOM 928 N GLY A 65 20.880 4.299 12.805 1.00 0.00 N ATOM 929 CA GLY A 65 21.157 5.694 12.519 1.00 0.00 C ATOM 930 C GLY A 65 20.205 6.276 11.492 1.00 0.00 C ATOM 931 O GLY A 65 19.012 6.419 11.754 1.00 0.00 O ATOM 0 H GLY A 65 20.730 3.715 11.982 1.00 0.00 H new ATOM 0 HA2 GLY A 65 21.089 6.271 13.441 1.00 0.00 H new ATOM 0 HA3 GLY A 65 22.181 5.791 12.157 1.00 0.00 H new ATOM 935 N ASN A 66 20.735 6.613 10.321 1.00 0.00 N ATOM 936 CA ASN A 66 19.924 7.185 9.252 1.00 0.00 C ATOM 937 C ASN A 66 19.023 6.125 8.626 1.00 0.00 C ATOM 938 O ASN A 66 19.422 5.430 7.692 1.00 0.00 O ATOM 939 CB ASN A 66 20.821 7.806 8.179 1.00 0.00 C ATOM 940 CG ASN A 66 20.342 9.179 7.748 1.00 0.00 C ATOM 941 OD1 ASN A 66 20.924 10.197 8.121 1.00 0.00 O ATOM 942 ND2 ASN A 66 19.275 9.212 6.959 1.00 0.00 N ATOM 0 H ASN A 66 21.722 6.500 10.088 1.00 0.00 H new ATOM 0 HA ASN A 66 19.294 7.963 9.684 1.00 0.00 H new ATOM 0 HB2 ASN A 66 21.839 7.883 8.560 1.00 0.00 H new ATOM 0 HB3 ASN A 66 20.854 7.147 7.311 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.906 10.107 6.637 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.824 8.342 6.674 1.00 0.00 H new ATOM 949 N ASN A 67 17.807 6.007 9.147 1.00 0.00 N ATOM 950 CA ASN A 67 16.849 5.031 8.639 1.00 0.00 C ATOM 951 C ASN A 67 17.520 3.681 8.406 1.00 0.00 C ATOM 952 O ASN A 67 17.144 2.938 7.499 1.00 0.00 O ATOM 953 CB ASN A 67 16.220 5.532 7.337 1.00 0.00 C ATOM 954 CG ASN A 67 14.711 5.379 7.327 1.00 0.00 C ATOM 955 OD1 ASN A 67 13.978 6.356 7.183 1.00 0.00 O ATOM 956 ND2 ASN A 67 14.241 4.146 7.482 1.00 0.00 N ATOM 0 H ASN A 67 17.461 6.575 9.921 1.00 0.00 H new ATOM 0 HA ASN A 67 16.067 4.904 9.387 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.477 6.581 7.193 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.644 4.982 6.497 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.235 3.980 7.485 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.887 3.365 7.598 1.00 0.00 H new ATOM 963 N SER A 68 18.515 3.370 9.231 1.00 0.00 N ATOM 964 CA SER A 68 19.240 2.111 9.112 1.00 0.00 C ATOM 965 C SER A 68 18.701 1.079 10.098 1.00 0.00 C ATOM 966 O SER A 68 18.849 1.227 11.311 1.00 0.00 O ATOM 967 CB SER A 68 20.734 2.334 9.356 1.00 0.00 C ATOM 968 OG SER A 68 20.954 3.478 10.163 1.00 0.00 O ATOM 0 H SER A 68 18.837 3.972 9.988 1.00 0.00 H new ATOM 0 HA SER A 68 19.097 1.731 8.100 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.162 1.456 9.840 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.248 2.454 8.402 1.00 0.00 H new ATOM 0 HG SER A 68 21.857 3.442 10.542 1.00 0.00 H new ATOM 974 N TRP A 69 18.077 0.034 9.568 1.00 0.00 N ATOM 975 CA TRP A 69 17.515 -1.024 10.401 1.00 0.00 C ATOM 976 C TRP A 69 18.389 -2.273 10.357 1.00 0.00 C ATOM 977 O TRP A 69 19.088 -2.520 9.374 1.00 0.00 O ATOM 978 CB TRP A 69 16.096 -1.363 9.942 1.00 0.00 C ATOM 979 CG TRP A 69 15.164 -0.189 9.974 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.312 0.992 9.305 1.00 0.00 C ATOM 981 CD2 TRP A 69 13.943 -0.084 10.714 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.256 1.826 9.585 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.402 1.189 10.446 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.253 -0.942 11.575 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.206 1.622 11.010 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.066 -0.510 12.134 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.551 0.762 11.850 1.00 0.00 C ATOM 0 H TRP A 69 17.947 -0.104 8.566 1.00 0.00 H new ATOM 0 HA TRP A 69 17.480 -0.663 11.429 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.135 -1.759 8.927 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.695 -2.153 10.577 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.137 1.235 8.652 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.129 2.767 9.212 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.641 -1.925 11.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.808 2.602 10.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.525 -1.164 12.802 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.620 1.070 12.302 1.00 0.00 H new ATOM 998 N THR A 70 18.345 -3.058 11.429 1.00 0.00 N ATOM 999 CA THR A 70 19.133 -4.281 11.513 1.00 0.00 C ATOM 1000 C THR A 70 18.307 -5.430 12.079 1.00 0.00 C ATOM 1001 O THR A 70 17.392 -5.217 12.876 1.00 0.00 O ATOM 1002 CB THR A 70 20.384 -4.084 12.389 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.245 -5.223 12.279 1.00 0.00 O ATOM 1004 CG2 THR A 70 19.998 -3.873 13.846 1.00 0.00 C ATOM 0 H THR A 70 17.772 -2.868 12.251 1.00 0.00 H new ATOM 0 HA THR A 70 19.444 -4.526 10.498 1.00 0.00 H new ATOM 0 HB THR A 70 20.910 -3.197 12.037 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.762 -5.163 11.449 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.898 -3.736 14.445 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.368 -2.988 13.931 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.451 -4.744 14.207 1.00 0.00 H new ATOM 1012 N LEU A 71 18.634 -6.649 11.664 1.00 0.00 N ATOM 1013 CA LEU A 71 17.922 -7.833 12.131 1.00 0.00 C ATOM 1014 C LEU A 71 18.751 -8.597 13.160 1.00 0.00 C ATOM 1015 O LEU A 71 19.935 -8.854 12.948 1.00 0.00 O ATOM 1016 CB LEU A 71 17.584 -8.747 10.952 1.00 0.00 C ATOM 1017 CG LEU A 71 16.135 -8.710 10.467 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.190 -9.145 11.577 1.00 0.00 C ATOM 1019 CD2 LEU A 71 15.773 -7.317 9.973 1.00 0.00 C ATOM 0 H LEU A 71 19.388 -6.843 11.005 1.00 0.00 H new ATOM 0 HA LEU A 71 16.997 -7.506 12.607 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.232 -8.483 10.116 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.826 -9.772 11.232 1.00 0.00 H new ATOM 0 HG LEU A 71 16.033 -9.407 9.635 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.163 -9.113 11.214 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.434 -10.162 11.885 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.295 -8.473 12.429 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.738 -7.310 9.632 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.892 -6.600 10.786 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.429 -7.042 9.147 1.00 0.00 H new ATOM 1031 N GLU A 72 18.118 -8.957 14.272 1.00 0.00 N ATOM 1032 CA GLU A 72 18.797 -9.693 15.332 1.00 0.00 C ATOM 1033 C GLU A 72 17.947 -10.866 15.811 1.00 0.00 C ATOM 1034 O GLU A 72 16.724 -10.879 15.668 1.00 0.00 O ATOM 1035 CB GLU A 72 19.112 -8.764 16.507 1.00 0.00 C ATOM 1036 CG GLU A 72 20.483 -8.115 16.420 1.00 0.00 C ATOM 1037 CD GLU A 72 21.114 -7.901 17.782 1.00 0.00 C ATOM 1038 OE1 GLU A 72 20.361 -7.745 18.766 1.00 0.00 O ATOM 1039 OE2 GLU A 72 22.360 -7.890 17.864 1.00 0.00 O ATOM 0 H GLU A 72 17.137 -8.751 14.462 1.00 0.00 H new ATOM 0 HA GLU A 72 19.730 -10.085 14.927 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.353 -7.984 16.556 1.00 0.00 H new ATOM 0 HB3 GLU A 72 19.046 -9.331 17.435 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.139 -8.740 15.814 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.395 -7.156 15.910 1.00 0.00 H new