USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 639 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 40 LYS NZ :NH3+ 140:sc= 1.17 (180deg=0) USER MOD Set 1.2: A 67 THR OG1 : rot 140:sc= 1.03 USER MOD Set 1.3: A 68 HIS : no HD1:sc= -0.429 X(o=1.8,f=2) USER MOD Set 2.1: A 48 CYS SG : rot -64:sc= 0.0151 USER MOD Set 2.2: A 54 SER OG : rot 43:sc= 1.35 USER MOD Set 2.3: A 71 ASN : amide:sc= 1.04 K(o=2.4,f=1) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0.422 K(o=0.42,f=-5.3!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.818 K(o=0.82,f=0) USER MOD Single : A 15 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.126 K(o=0.13,f=-1.6) USER MOD Single : A 19 GLN : amide:sc= 0.776 K(o=0.78,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.797 K(o=0.8,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00499) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0452 X(o=-0.045,f=-0.045) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00215 USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= 1.31 (180deg=1.17) USER MOD Single : A 47 TYR OH : rot -23:sc= 1.55 USER MOD Single : A 49 ASN : amide:sc= -1.38! K(o=-1.4!,f=-0.67) USER MOD Single : A 53 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.3) USER MOD Single : A 56 GLN : amide:sc= 0.115 X(o=0.11,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 1.28 (180deg=1.23) USER MOD Single : A 62 SER OG : rot 85:sc= 1.31 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -177:sc= 0 (180deg=-0.00707) USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 1.89 (180deg=1.82) USER MOD ----------------------------------------------------------------- ATOM 13 N GLU A 2 0.854 0.554 -3.084 1.00 0.00 N ATOM 14 CA GLU A 2 0.048 0.956 -4.231 1.00 0.00 C ATOM 15 C GLU A 2 -0.928 2.030 -3.744 1.00 0.00 C ATOM 16 O GLU A 2 -1.308 2.030 -2.568 1.00 0.00 O ATOM 17 CB GLU A 2 -0.767 -0.239 -4.766 1.00 0.00 C ATOM 18 CG GLU A 2 0.049 -1.278 -5.544 1.00 0.00 C ATOM 19 CD GLU A 2 -0.808 -2.506 -5.893 1.00 0.00 C ATOM 20 OE1 GLU A 2 -1.601 -2.442 -6.860 1.00 0.00 O ATOM 21 OE2 GLU A 2 -0.684 -3.553 -5.216 1.00 0.00 O ATOM 0 HA GLU A 2 0.694 1.323 -5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.253 -0.735 -3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.558 0.140 -5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.437 -0.830 -6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.909 -1.588 -4.951 1.00 0.00 H new ATOM 28 N HIS A 3 -1.383 2.894 -4.654 1.00 0.00 N ATOM 29 CA HIS A 3 -2.476 3.831 -4.433 1.00 0.00 C ATOM 30 C HIS A 3 -3.282 3.893 -5.726 1.00 0.00 C ATOM 31 O HIS A 3 -2.721 4.166 -6.792 1.00 0.00 O ATOM 32 CB HIS A 3 -1.952 5.229 -4.058 1.00 0.00 C ATOM 33 CG HIS A 3 -1.604 5.372 -2.596 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.449 5.803 -1.595 1.00 0.00 N ATOM 35 CD2 HIS A 3 -0.402 5.083 -2.008 1.00 0.00 C ATOM 36 CE1 HIS A 3 -1.771 5.771 -0.435 1.00 0.00 C ATOM 37 NE2 HIS A 3 -0.513 5.333 -0.632 1.00 0.00 N ATOM 0 H HIS A 3 -0.986 2.959 -5.591 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.095 3.495 -3.601 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.068 5.449 -4.656 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.706 5.972 -4.318 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.481 4.724 -2.516 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.179 6.057 0.523 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.212 5.208 0.075 1.00 0.00 H new ATOM 45 N TRP A 4 -4.585 3.627 -5.623 1.00 0.00 N ATOM 46 CA TRP A 4 -5.538 3.872 -6.694 1.00 0.00 C ATOM 47 C TRP A 4 -5.960 5.323 -6.529 1.00 0.00 C ATOM 48 O TRP A 4 -6.526 5.679 -5.492 1.00 0.00 O ATOM 49 CB TRP A 4 -6.740 2.920 -6.590 1.00 0.00 C ATOM 50 CG TRP A 4 -6.416 1.500 -6.956 1.00 0.00 C ATOM 51 CD1 TRP A 4 -5.712 0.630 -6.198 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.717 0.783 -8.195 1.00 0.00 C ATOM 53 NE1 TRP A 4 -5.543 -0.560 -6.876 1.00 0.00 N ATOM 54 CE2 TRP A 4 -6.153 -0.527 -8.112 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.404 1.110 -9.385 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -6.268 -1.461 -9.154 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.520 0.182 -10.437 1.00 0.00 C ATOM 58 CH2 TRP A 4 -6.952 -1.100 -10.326 1.00 0.00 C ATOM 0 H TRP A 4 -5.008 3.231 -4.783 1.00 0.00 H new ATOM 0 HA TRP A 4 -5.102 3.693 -7.677 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -7.125 2.945 -5.571 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.536 3.281 -7.241 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -5.337 0.836 -5.207 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -5.031 -1.363 -6.509 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.848 2.089 -9.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.835 -2.446 -9.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -8.050 0.457 -11.337 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.042 -1.805 -11.140 1.00 0.00 H new ATOM 69 N ILE A 5 -5.664 6.151 -7.525 1.00 0.00 N ATOM 70 CA ILE A 5 -5.953 7.573 -7.513 1.00 0.00 C ATOM 71 C ILE A 5 -6.888 7.792 -8.696 1.00 0.00 C ATOM 72 O ILE A 5 -6.476 7.694 -9.854 1.00 0.00 O ATOM 73 CB ILE A 5 -4.657 8.419 -7.590 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.665 8.057 -6.459 1.00 0.00 C ATOM 75 CG2 ILE A 5 -5.005 9.922 -7.561 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.378 8.882 -6.465 1.00 0.00 C ATOM 0 H ILE A 5 -5.206 5.841 -8.382 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.423 7.896 -6.584 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.161 8.190 -8.533 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.163 8.189 -5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.407 7.001 -6.542 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.088 10.509 -7.616 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.642 10.164 -8.412 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.531 10.156 -6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.739 8.565 -5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.854 8.732 -7.409 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.622 9.938 -6.349 1.00 0.00 H new ATOM 88 N ASP A 6 -8.161 8.040 -8.407 1.00 0.00 N ATOM 89 CA ASP A 6 -9.085 8.507 -9.422 1.00 0.00 C ATOM 90 C ASP A 6 -8.617 9.900 -9.823 1.00 0.00 C ATOM 91 O ASP A 6 -8.342 10.722 -8.941 1.00 0.00 O ATOM 92 CB ASP A 6 -10.507 8.595 -8.859 1.00 0.00 C ATOM 93 CG ASP A 6 -11.547 8.556 -9.984 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.281 9.121 -11.067 1.00 0.00 O ATOM 95 OD2 ASP A 6 -12.613 7.939 -9.762 1.00 0.00 O ATOM 0 H ASP A 6 -8.571 7.925 -7.480 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.102 7.822 -10.270 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.681 7.769 -8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.619 9.516 -8.287 1.00 0.00 H new ATOM 100 N VAL A 7 -8.561 10.211 -11.111 1.00 0.00 N ATOM 101 CA VAL A 7 -8.217 11.549 -11.577 1.00 0.00 C ATOM 102 C VAL A 7 -9.366 12.167 -12.388 1.00 0.00 C ATOM 103 O VAL A 7 -9.178 13.223 -12.999 1.00 0.00 O ATOM 104 CB VAL A 7 -6.829 11.563 -12.250 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.707 10.977 -11.371 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.796 10.780 -13.559 1.00 0.00 C ATOM 0 H VAL A 7 -8.752 9.546 -11.860 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.106 12.219 -10.724 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.653 12.624 -12.425 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.761 11.021 -11.911 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.626 11.555 -10.451 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.939 9.940 -11.129 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.794 10.826 -13.985 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.061 9.740 -13.368 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.509 11.213 -14.260 1.00 0.00 H new ATOM 116 N ARG A 8 -10.559 11.547 -12.397 1.00 0.00 N ATOM 117 CA ARG A 8 -11.768 12.191 -12.917 1.00 0.00 C ATOM 118 C ARG A 8 -12.068 13.438 -12.087 1.00 0.00 C ATOM 119 O ARG A 8 -11.560 13.587 -10.968 1.00 0.00 O ATOM 120 CB ARG A 8 -12.945 11.195 -13.003 1.00 0.00 C ATOM 121 CG ARG A 8 -13.746 10.929 -11.715 1.00 0.00 C ATOM 122 CD ARG A 8 -14.617 9.662 -11.840 1.00 0.00 C ATOM 123 NE ARG A 8 -15.571 9.748 -12.967 1.00 0.00 N ATOM 124 CZ ARG A 8 -16.779 9.171 -13.048 1.00 0.00 C ATOM 125 NH1 ARG A 8 -17.241 8.380 -12.091 1.00 0.00 N ATOM 126 NH2 ARG A 8 -17.548 9.427 -14.100 1.00 0.00 N ATOM 0 H ARG A 8 -10.707 10.600 -12.049 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.605 12.518 -13.944 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.638 11.558 -13.761 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.554 10.242 -13.359 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.060 10.818 -10.875 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.381 11.788 -11.497 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.973 8.793 -11.977 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.167 9.508 -10.912 1.00 0.00 H new ATOM 0 HE ARG A 8 -15.279 10.306 -13.769 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.674 8.195 -11.264 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.164 7.956 -12.181 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.217 10.055 -14.833 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.469 8.996 -14.175 1.00 0.00 H new ATOM 140 N VAL A 9 -12.883 14.334 -12.648 1.00 0.00 N ATOM 141 CA VAL A 9 -13.216 15.598 -12.002 1.00 0.00 C ATOM 142 C VAL A 9 -13.842 15.308 -10.619 1.00 0.00 C ATOM 143 O VAL A 9 -14.486 14.264 -10.453 1.00 0.00 O ATOM 144 CB VAL A 9 -14.083 16.478 -12.932 1.00 0.00 C ATOM 145 CG1 VAL A 9 -13.303 16.854 -14.203 1.00 0.00 C ATOM 146 CG2 VAL A 9 -15.409 15.823 -13.338 1.00 0.00 C ATOM 0 H VAL A 9 -13.326 14.202 -13.557 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.318 16.189 -11.820 1.00 0.00 H new ATOM 0 HB VAL A 9 -14.324 17.369 -12.352 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.930 17.473 -14.845 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.405 17.408 -13.928 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.020 15.947 -14.738 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.964 16.498 -13.990 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -15.208 14.891 -13.867 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.999 15.613 -12.446 1.00 0.00 H new ATOM 156 N PRO A 10 -13.703 16.191 -9.613 1.00 0.00 N ATOM 157 CA PRO A 10 -14.064 15.840 -8.239 1.00 0.00 C ATOM 158 C PRO A 10 -15.568 15.609 -8.072 1.00 0.00 C ATOM 159 O PRO A 10 -15.990 14.770 -7.273 1.00 0.00 O ATOM 160 CB PRO A 10 -13.546 16.990 -7.372 1.00 0.00 C ATOM 161 CG PRO A 10 -13.486 18.183 -8.327 1.00 0.00 C ATOM 162 CD PRO A 10 -13.204 17.559 -9.693 1.00 0.00 C ATOM 0 HA PRO A 10 -13.616 14.892 -7.942 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.212 17.186 -6.531 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.565 16.764 -6.955 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.424 18.738 -8.329 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.702 18.883 -8.040 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.705 18.113 -10.487 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.138 17.574 -9.918 1.00 0.00 H new ATOM 170 N GLU A 11 -16.390 16.309 -8.855 1.00 0.00 N ATOM 171 CA GLU A 11 -17.839 16.143 -8.863 1.00 0.00 C ATOM 172 C GLU A 11 -18.269 14.833 -9.535 1.00 0.00 C ATOM 173 O GLU A 11 -19.435 14.462 -9.423 1.00 0.00 O ATOM 174 CB GLU A 11 -18.487 17.347 -9.562 1.00 0.00 C ATOM 175 CG GLU A 11 -18.356 18.632 -8.731 1.00 0.00 C ATOM 176 CD GLU A 11 -19.064 19.818 -9.412 1.00 0.00 C ATOM 177 OE1 GLU A 11 -18.428 20.535 -10.217 1.00 0.00 O ATOM 178 OE2 GLU A 11 -20.261 20.061 -9.135 1.00 0.00 O ATOM 0 H GLU A 11 -16.060 17.017 -9.510 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.178 16.092 -7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.020 17.496 -10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.541 17.138 -9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.783 18.472 -7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.302 18.869 -8.589 1.00 0.00 H new ATOM 185 N GLN A 12 -17.369 14.111 -10.215 1.00 0.00 N ATOM 186 CA GLN A 12 -17.665 12.812 -10.805 1.00 0.00 C ATOM 187 C GLN A 12 -17.128 11.690 -9.914 1.00 0.00 C ATOM 188 O GLN A 12 -17.770 10.648 -9.816 1.00 0.00 O ATOM 189 CB GLN A 12 -17.073 12.706 -12.216 1.00 0.00 C ATOM 190 CG GLN A 12 -17.908 13.363 -13.323 1.00 0.00 C ATOM 191 CD GLN A 12 -17.344 13.043 -14.715 1.00 0.00 C ATOM 192 OE1 GLN A 12 -16.696 12.017 -14.930 1.00 0.00 O ATOM 193 NE2 GLN A 12 -17.569 13.906 -15.692 1.00 0.00 N ATOM 0 H GLN A 12 -16.409 14.420 -10.369 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.747 12.709 -10.883 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.082 13.159 -12.212 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.940 11.652 -12.459 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.939 13.016 -13.258 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.926 14.443 -13.175 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.106 14.754 -15.510 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.206 13.723 -16.627 1.00 0.00 H new ATOM 202 N TYR A 13 -16.007 11.898 -9.215 1.00 0.00 N ATOM 203 CA TYR A 13 -15.498 10.933 -8.238 1.00 0.00 C ATOM 204 C TYR A 13 -16.548 10.651 -7.156 1.00 0.00 C ATOM 205 O TYR A 13 -16.760 9.499 -6.769 1.00 0.00 O ATOM 206 CB TYR A 13 -14.167 11.441 -7.657 1.00 0.00 C ATOM 207 CG TYR A 13 -13.953 11.215 -6.168 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.491 9.976 -5.685 1.00 0.00 C ATOM 209 CD2 TYR A 13 -14.165 12.278 -5.268 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.194 9.815 -4.321 1.00 0.00 C ATOM 211 CE2 TYR A 13 -13.910 12.112 -3.895 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.412 10.878 -3.416 1.00 0.00 C ATOM 213 OH TYR A 13 -13.121 10.707 -2.094 1.00 0.00 O ATOM 0 H TYR A 13 -15.431 12.735 -9.310 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.300 9.981 -8.730 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.352 10.959 -8.197 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.093 12.510 -7.855 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.364 9.147 -6.365 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.526 13.227 -5.635 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -12.798 8.876 -3.963 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.094 12.925 -3.208 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.326 11.531 -1.605 1.00 0.00 H new ATOM 223 N GLN A 14 -17.253 11.695 -6.708 1.00 0.00 N ATOM 224 CA GLN A 14 -18.331 11.560 -5.734 1.00 0.00 C ATOM 225 C GLN A 14 -19.484 10.713 -6.293 1.00 0.00 C ATOM 226 O GLN A 14 -20.119 9.973 -5.540 1.00 0.00 O ATOM 227 CB GLN A 14 -18.816 12.959 -5.323 1.00 0.00 C ATOM 228 CG GLN A 14 -17.774 13.686 -4.457 1.00 0.00 C ATOM 229 CD GLN A 14 -18.101 15.171 -4.308 1.00 0.00 C ATOM 230 OE1 GLN A 14 -18.881 15.578 -3.450 1.00 0.00 O ATOM 231 NE2 GLN A 14 -17.512 16.010 -5.145 1.00 0.00 N ATOM 0 H GLN A 14 -17.089 12.655 -7.013 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.954 11.040 -4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -19.024 13.549 -6.215 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.752 12.873 -4.772 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.732 13.222 -3.472 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -16.787 13.574 -4.905 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.867 15.657 -5.852 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.703 17.010 -5.083 1.00 0.00 H new ATOM 240 N GLN A 15 -19.754 10.797 -7.602 1.00 0.00 N ATOM 241 CA GLN A 15 -20.827 10.036 -8.229 1.00 0.00 C ATOM 242 C GLN A 15 -20.452 8.556 -8.317 1.00 0.00 C ATOM 243 O GLN A 15 -21.311 7.717 -8.047 1.00 0.00 O ATOM 244 CB GLN A 15 -21.176 10.603 -9.615 1.00 0.00 C ATOM 245 CG GLN A 15 -21.808 12.002 -9.528 1.00 0.00 C ATOM 246 CD GLN A 15 -22.089 12.586 -10.914 1.00 0.00 C ATOM 247 OE1 GLN A 15 -22.903 12.070 -11.677 1.00 0.00 O ATOM 248 NE2 GLN A 15 -21.426 13.673 -11.274 1.00 0.00 N ATOM 0 H GLN A 15 -19.235 11.392 -8.247 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.717 10.127 -7.606 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -20.273 10.651 -10.224 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.865 9.926 -10.120 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -22.738 11.946 -8.962 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.141 12.669 -8.981 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.752 14.095 -10.635 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -21.589 14.089 -12.191 1.00 0.00 H new ATOM 257 N GLU A 16 -19.207 8.212 -8.673 1.00 0.00 N ATOM 258 CA GLU A 16 -18.716 6.834 -8.661 1.00 0.00 C ATOM 259 C GLU A 16 -17.187 6.835 -8.753 1.00 0.00 C ATOM 260 O GLU A 16 -16.620 7.624 -9.513 1.00 0.00 O ATOM 261 CB GLU A 16 -19.332 6.059 -9.843 1.00 0.00 C ATOM 262 CG GLU A 16 -19.129 4.538 -9.792 1.00 0.00 C ATOM 263 CD GLU A 16 -20.066 3.832 -10.791 1.00 0.00 C ATOM 264 OE1 GLU A 16 -21.299 4.060 -10.729 1.00 0.00 O ATOM 265 OE2 GLU A 16 -19.581 3.047 -11.636 1.00 0.00 O ATOM 0 H GLU A 16 -18.509 8.890 -8.979 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.009 6.345 -7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.401 6.268 -9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.903 6.438 -10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.092 4.296 -10.025 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.323 4.173 -8.783 1.00 0.00 H new ATOM 272 N HIS A 17 -16.524 5.929 -8.033 1.00 0.00 N ATOM 273 CA HIS A 17 -15.087 5.689 -8.132 1.00 0.00 C ATOM 274 C HIS A 17 -14.782 4.258 -7.675 1.00 0.00 C ATOM 275 O HIS A 17 -15.634 3.612 -7.060 1.00 0.00 O ATOM 276 CB HIS A 17 -14.317 6.734 -7.306 1.00 0.00 C ATOM 277 CG HIS A 17 -14.602 6.745 -5.827 1.00 0.00 C ATOM 278 ND1 HIS A 17 -15.664 7.364 -5.211 1.00 0.00 N ATOM 279 CD2 HIS A 17 -13.758 6.307 -4.843 1.00 0.00 C ATOM 280 CE1 HIS A 17 -15.478 7.277 -3.884 1.00 0.00 C ATOM 281 NE2 HIS A 17 -14.334 6.623 -3.604 1.00 0.00 N ATOM 0 H HIS A 17 -16.984 5.328 -7.349 1.00 0.00 H new ATOM 0 HA HIS A 17 -14.761 5.792 -9.167 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.249 6.567 -7.449 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -14.541 7.722 -7.707 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -16.453 7.810 -5.679 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -12.813 5.806 -4.994 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.153 7.677 -3.142 1.00 0.00 H new ATOM 289 N VAL A 18 -13.585 3.746 -7.981 1.00 0.00 N ATOM 290 CA VAL A 18 -13.109 2.444 -7.521 1.00 0.00 C ATOM 291 C VAL A 18 -13.121 2.442 -5.989 1.00 0.00 C ATOM 292 O VAL A 18 -12.750 3.430 -5.354 1.00 0.00 O ATOM 293 CB VAL A 18 -11.715 2.150 -8.121 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.035 0.924 -7.493 1.00 0.00 C ATOM 295 CG2 VAL A 18 -11.831 1.906 -9.635 1.00 0.00 C ATOM 0 H VAL A 18 -12.910 4.237 -8.567 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.761 1.640 -7.862 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.104 3.027 -7.907 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.061 0.771 -7.957 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.906 1.088 -6.423 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.655 0.042 -7.653 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.843 1.700 -10.047 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.485 1.053 -9.817 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.247 2.792 -10.115 1.00 0.00 H new ATOM 305 N GLN A 19 -13.571 1.335 -5.397 1.00 0.00 N ATOM 306 CA GLN A 19 -13.827 1.233 -3.970 1.00 0.00 C ATOM 307 C GLN A 19 -12.542 1.524 -3.185 1.00 0.00 C ATOM 308 O GLN A 19 -11.549 0.804 -3.317 1.00 0.00 O ATOM 309 CB GLN A 19 -14.436 -0.145 -3.664 1.00 0.00 C ATOM 310 CG GLN A 19 -15.111 -0.195 -2.288 1.00 0.00 C ATOM 311 CD GLN A 19 -15.929 -1.475 -2.110 1.00 0.00 C ATOM 312 OE1 GLN A 19 -15.543 -2.382 -1.378 1.00 0.00 O ATOM 313 NE2 GLN A 19 -17.071 -1.586 -2.775 1.00 0.00 N ATOM 0 H GLN A 19 -13.769 0.475 -5.908 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.553 1.981 -3.652 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.167 -0.395 -4.433 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.654 -0.903 -3.709 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.353 -0.135 -1.507 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.760 0.672 -2.169 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.384 -0.828 -3.381 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.636 -2.430 -2.680 1.00 0.00 H new ATOM 322 N GLY A 20 -12.564 2.591 -2.383 1.00 0.00 N ATOM 323 CA GLY A 20 -11.458 2.988 -1.519 1.00 0.00 C ATOM 324 C GLY A 20 -10.350 3.773 -2.232 1.00 0.00 C ATOM 325 O GLY A 20 -9.358 4.114 -1.584 1.00 0.00 O ATOM 0 H GLY A 20 -13.369 3.214 -2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.850 3.595 -0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.023 2.094 -1.071 1.00 0.00 H new ATOM 329 N ALA A 21 -10.476 4.066 -3.534 1.00 0.00 N ATOM 330 CA ALA A 21 -9.523 4.922 -4.235 1.00 0.00 C ATOM 331 C ALA A 21 -9.606 6.351 -3.682 1.00 0.00 C ATOM 332 O ALA A 21 -10.699 6.840 -3.382 1.00 0.00 O ATOM 333 CB ALA A 21 -9.812 4.909 -5.742 1.00 0.00 C ATOM 0 H ALA A 21 -11.234 3.718 -4.121 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.514 4.542 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.096 5.550 -6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.724 3.891 -6.121 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.822 5.277 -5.922 1.00 0.00 H new ATOM 339 N ILE A 22 -8.460 7.026 -3.561 1.00 0.00 N ATOM 340 CA ILE A 22 -8.421 8.468 -3.304 1.00 0.00 C ATOM 341 C ILE A 22 -8.770 9.163 -4.635 1.00 0.00 C ATOM 342 O ILE A 22 -8.781 8.515 -5.685 1.00 0.00 O ATOM 343 CB ILE A 22 -7.047 8.858 -2.692 1.00 0.00 C ATOM 344 CG1 ILE A 22 -7.005 10.317 -2.184 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.881 8.615 -3.658 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.732 10.662 -1.400 1.00 0.00 C ATOM 0 H ILE A 22 -7.540 6.593 -3.638 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.149 8.793 -2.561 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.927 8.197 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.090 10.991 -3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.872 10.496 -1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.946 8.905 -3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.842 7.558 -3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.026 9.209 -4.560 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.775 11.702 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.655 10.013 -0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.861 10.516 -2.039 1.00 0.00 H new ATOM 358 N ASN A 23 -9.018 10.475 -4.635 1.00 0.00 N ATOM 359 CA ASN A 23 -9.206 11.240 -5.863 1.00 0.00 C ATOM 360 C ASN A 23 -8.361 12.495 -5.821 1.00 0.00 C ATOM 361 O ASN A 23 -8.427 13.263 -4.861 1.00 0.00 O ATOM 362 CB ASN A 23 -10.679 11.576 -6.078 1.00 0.00 C ATOM 363 CG ASN A 23 -10.954 12.623 -7.160 1.00 0.00 C ATOM 364 OD1 ASN A 23 -11.555 13.653 -6.884 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.556 12.393 -8.402 1.00 0.00 N ATOM 0 H ASN A 23 -9.093 11.033 -3.784 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.884 10.631 -6.708 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.211 10.660 -6.337 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.096 11.931 -5.136 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.750 13.076 -9.134 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.056 11.533 -8.626 1.00 0.00 H new ATOM 372 N ILE A 24 -7.588 12.693 -6.883 1.00 0.00 N ATOM 373 CA ILE A 24 -6.815 13.891 -7.141 1.00 0.00 C ATOM 374 C ILE A 24 -7.077 14.166 -8.626 1.00 0.00 C ATOM 375 O ILE A 24 -6.400 13.583 -9.469 1.00 0.00 O ATOM 376 CB ILE A 24 -5.319 13.704 -6.784 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.128 13.291 -5.304 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.588 15.024 -7.075 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.671 13.068 -4.885 1.00 0.00 C ATOM 0 H ILE A 24 -7.482 11.991 -7.615 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.104 14.740 -6.522 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.905 12.898 -7.390 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.561 14.062 -4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.689 12.374 -5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.531 14.916 -6.831 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.693 15.273 -8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.021 15.821 -6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.634 12.782 -3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.235 12.275 -5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.106 13.988 -5.031 1.00 0.00 H new ATOM 391 N PRO A 25 -8.113 14.952 -8.968 1.00 0.00 N ATOM 392 CA PRO A 25 -8.455 15.277 -10.350 1.00 0.00 C ATOM 393 C PRO A 25 -7.243 15.775 -11.133 1.00 0.00 C ATOM 394 O PRO A 25 -6.364 16.393 -10.540 1.00 0.00 O ATOM 395 CB PRO A 25 -9.528 16.362 -10.267 1.00 0.00 C ATOM 396 CG PRO A 25 -10.158 16.148 -8.892 1.00 0.00 C ATOM 397 CD PRO A 25 -9.015 15.614 -8.044 1.00 0.00 C ATOM 0 HA PRO A 25 -8.809 14.393 -10.880 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.097 17.359 -10.358 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.264 16.259 -11.065 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.556 17.078 -8.486 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.986 15.440 -8.938 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.509 16.422 -7.516 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.380 14.919 -7.288 1.00 0.00 H new ATOM 405 N LEU A 26 -7.215 15.596 -12.459 1.00 0.00 N ATOM 406 CA LEU A 26 -6.074 15.976 -13.307 1.00 0.00 C ATOM 407 C LEU A 26 -5.541 17.389 -13.014 1.00 0.00 C ATOM 408 O LEU A 26 -4.330 17.573 -12.903 1.00 0.00 O ATOM 409 CB LEU A 26 -6.469 15.823 -14.788 1.00 0.00 C ATOM 410 CG LEU A 26 -5.423 16.348 -15.796 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.122 15.541 -15.738 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.006 16.285 -17.210 1.00 0.00 C ATOM 0 H LEU A 26 -7.988 15.181 -12.979 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.250 15.302 -13.073 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.653 14.768 -14.993 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.409 16.349 -14.955 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.186 17.378 -15.531 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.413 15.942 -16.462 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.696 15.609 -14.737 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.330 14.497 -15.974 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.270 16.655 -17.924 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.261 15.253 -17.453 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.903 16.902 -17.261 1.00 0.00 H new ATOM 424 N LYS A 27 -6.426 18.380 -12.850 1.00 0.00 N ATOM 425 CA LYS A 27 -6.021 19.762 -12.561 1.00 0.00 C ATOM 426 C LYS A 27 -5.307 19.883 -11.210 1.00 0.00 C ATOM 427 O LYS A 27 -4.456 20.753 -11.037 1.00 0.00 O ATOM 428 CB LYS A 27 -7.250 20.690 -12.576 1.00 0.00 C ATOM 429 CG LYS A 27 -8.061 20.694 -13.886 1.00 0.00 C ATOM 430 CD LYS A 27 -7.232 21.097 -15.119 1.00 0.00 C ATOM 431 CE LYS A 27 -8.078 21.161 -16.401 1.00 0.00 C ATOM 432 NZ LYS A 27 -9.050 22.285 -16.406 1.00 0.00 N ATOM 0 H LYS A 27 -7.436 18.249 -12.913 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.319 20.061 -13.340 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.912 20.401 -11.760 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.918 21.708 -12.371 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.480 19.701 -14.048 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.901 21.381 -13.782 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.772 22.069 -14.942 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.421 20.382 -15.258 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.416 21.258 -17.261 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.618 20.222 -16.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.565 22.294 -17.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.725 22.164 -15.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.541 23.184 -16.288 1.00 0.00 H new ATOM 446 N GLU A 28 -5.658 19.025 -10.255 1.00 0.00 N ATOM 447 CA GLU A 28 -5.179 19.040 -8.882 1.00 0.00 C ATOM 448 C GLU A 28 -3.890 18.215 -8.737 1.00 0.00 C ATOM 449 O GLU A 28 -3.132 18.457 -7.796 1.00 0.00 O ATOM 450 CB GLU A 28 -6.283 18.481 -7.960 1.00 0.00 C ATOM 451 CG GLU A 28 -7.628 19.238 -8.015 1.00 0.00 C ATOM 452 CD GLU A 28 -7.562 20.589 -7.287 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.746 20.599 -6.047 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.342 21.635 -7.938 1.00 0.00 O ATOM 0 H GLU A 28 -6.316 18.265 -10.430 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.946 20.066 -8.597 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.460 17.438 -8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.918 18.494 -6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.909 19.401 -9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.408 18.623 -7.566 1.00 0.00 H new ATOM 461 N VAL A 29 -3.605 17.272 -9.654 1.00 0.00 N ATOM 462 CA VAL A 29 -2.423 16.396 -9.613 1.00 0.00 C ATOM 463 C VAL A 29 -1.161 17.226 -9.378 1.00 0.00 C ATOM 464 O VAL A 29 -0.405 16.928 -8.454 1.00 0.00 O ATOM 465 CB VAL A 29 -2.347 15.527 -10.896 1.00 0.00 C ATOM 466 CG1 VAL A 29 -1.035 14.743 -11.065 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.472 14.482 -10.929 1.00 0.00 C ATOM 0 H VAL A 29 -4.204 17.095 -10.461 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.508 15.705 -8.775 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.430 16.257 -11.701 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.073 14.165 -11.988 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.198 15.440 -11.107 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.903 14.068 -10.220 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.391 13.889 -11.840 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.386 13.828 -10.062 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.438 14.987 -10.909 1.00 0.00 H new ATOM 477 N LYS A 30 -0.980 18.314 -10.136 1.00 0.00 N ATOM 478 CA LYS A 30 0.220 19.151 -10.091 1.00 0.00 C ATOM 479 C LYS A 30 0.498 19.762 -8.712 1.00 0.00 C ATOM 480 O LYS A 30 1.615 20.227 -8.487 1.00 0.00 O ATOM 481 CB LYS A 30 0.119 20.267 -11.146 1.00 0.00 C ATOM 482 CG LYS A 30 0.052 19.724 -12.583 1.00 0.00 C ATOM 483 CD LYS A 30 0.027 20.870 -13.603 1.00 0.00 C ATOM 484 CE LYS A 30 -0.033 20.312 -15.032 1.00 0.00 C ATOM 485 NZ LYS A 30 -0.051 21.390 -16.054 1.00 0.00 N ATOM 0 H LYS A 30 -1.675 18.641 -10.807 1.00 0.00 H new ATOM 0 HA LYS A 30 1.061 18.492 -10.309 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.768 20.869 -10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.980 20.928 -11.052 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.912 19.082 -12.773 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.839 19.107 -12.701 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.836 21.510 -13.419 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.915 21.490 -13.485 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.827 19.665 -15.204 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.924 19.694 -15.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.092 20.968 -17.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.885 21.993 -15.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.811 21.965 -15.968 1.00 0.00 H new ATOM 499 N GLU A 31 -0.476 19.778 -7.797 1.00 0.00 N ATOM 500 CA GLU A 31 -0.371 20.450 -6.504 1.00 0.00 C ATOM 501 C GLU A 31 -0.595 19.487 -5.328 1.00 0.00 C ATOM 502 O GLU A 31 -0.469 19.909 -4.175 1.00 0.00 O ATOM 503 CB GLU A 31 -1.362 21.629 -6.459 1.00 0.00 C ATOM 504 CG GLU A 31 -1.041 22.712 -7.502 1.00 0.00 C ATOM 505 CD GLU A 31 -1.944 23.947 -7.332 1.00 0.00 C ATOM 506 OE1 GLU A 31 -1.590 24.863 -6.555 1.00 0.00 O ATOM 507 OE2 GLU A 31 -3.006 24.030 -7.989 1.00 0.00 O ATOM 0 H GLU A 31 -1.374 19.316 -7.939 1.00 0.00 H new ATOM 0 HA GLU A 31 0.645 20.830 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.372 21.256 -6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.348 22.073 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.004 23.009 -7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.169 22.302 -8.504 1.00 0.00 H new ATOM 514 N ARG A 32 -0.915 18.206 -5.576 1.00 0.00 N ATOM 515 CA ARG A 32 -1.324 17.278 -4.512 1.00 0.00 C ATOM 516 C ARG A 32 -0.803 15.856 -4.699 1.00 0.00 C ATOM 517 O ARG A 32 -0.847 15.080 -3.746 1.00 0.00 O ATOM 518 CB ARG A 32 -2.861 17.315 -4.403 1.00 0.00 C ATOM 519 CG ARG A 32 -3.417 16.737 -3.085 1.00 0.00 C ATOM 520 CD ARG A 32 -4.925 16.988 -2.929 1.00 0.00 C ATOM 521 NE ARG A 32 -5.238 18.432 -2.913 1.00 0.00 N ATOM 522 CZ ARG A 32 -6.107 19.062 -3.715 1.00 0.00 C ATOM 523 NH1 ARG A 32 -6.991 18.401 -4.453 1.00 0.00 N ATOM 524 NH2 ARG A 32 -6.102 20.384 -3.812 1.00 0.00 N ATOM 0 H ARG A 32 -0.898 17.790 -6.507 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.870 17.611 -3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.196 18.347 -4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.287 16.759 -5.238 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.224 15.665 -3.051 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.888 17.183 -2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.461 16.508 -3.748 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.277 16.529 -2.005 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.746 19.003 -2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.023 17.382 -4.420 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.638 18.912 -5.053 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.432 20.932 -3.273 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.768 20.853 -4.426 1.00 0.00 H new ATOM 538 N ILE A 33 -0.288 15.478 -5.874 1.00 0.00 N ATOM 539 CA ILE A 33 0.134 14.096 -6.102 1.00 0.00 C ATOM 540 C ILE A 33 1.232 13.662 -5.123 1.00 0.00 C ATOM 541 O ILE A 33 1.204 12.529 -4.648 1.00 0.00 O ATOM 542 CB ILE A 33 0.494 13.875 -7.586 1.00 0.00 C ATOM 543 CG1 ILE A 33 0.730 12.383 -7.911 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.692 14.717 -8.076 1.00 0.00 C ATOM 545 CD1 ILE A 33 -0.500 11.498 -7.694 1.00 0.00 C ATOM 0 H ILE A 33 -0.155 16.101 -6.670 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.707 13.436 -5.889 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.382 14.224 -8.133 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.051 12.294 -8.949 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.546 12.011 -7.292 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.881 14.504 -9.128 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.466 15.776 -7.955 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.577 14.466 -7.491 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.254 10.466 -7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.810 11.555 -6.651 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.313 11.842 -8.333 1.00 0.00 H new ATOM 557 N ALA A 34 2.139 14.569 -4.741 1.00 0.00 N ATOM 558 CA ALA A 34 3.194 14.275 -3.776 1.00 0.00 C ATOM 559 C ALA A 34 2.636 13.854 -2.408 1.00 0.00 C ATOM 560 O ALA A 34 3.295 13.104 -1.690 1.00 0.00 O ATOM 561 CB ALA A 34 4.109 15.495 -3.628 1.00 0.00 C ATOM 0 H ALA A 34 2.158 15.526 -5.095 1.00 0.00 H new ATOM 0 HA ALA A 34 3.766 13.429 -4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.896 15.274 -2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.557 15.733 -4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.526 16.347 -3.279 1.00 0.00 H new ATOM 567 N THR A 35 1.435 14.304 -2.033 1.00 0.00 N ATOM 568 CA THR A 35 0.798 13.919 -0.779 1.00 0.00 C ATOM 569 C THR A 35 0.392 12.436 -0.825 1.00 0.00 C ATOM 570 O THR A 35 0.556 11.723 0.168 1.00 0.00 O ATOM 571 CB THR A 35 -0.410 14.846 -0.528 1.00 0.00 C ATOM 572 OG1 THR A 35 -0.071 16.201 -0.794 1.00 0.00 O ATOM 573 CG2 THR A 35 -0.936 14.750 0.907 1.00 0.00 C ATOM 0 H THR A 35 0.879 14.948 -2.596 1.00 0.00 H new ATOM 0 HA THR A 35 1.495 14.033 0.052 1.00 0.00 H new ATOM 0 HB THR A 35 -1.194 14.511 -1.207 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.851 16.771 -0.630 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.785 15.422 1.029 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.251 13.727 1.111 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.147 15.033 1.604 1.00 0.00 H new ATOM 581 N ALA A 36 -0.099 11.951 -1.974 1.00 0.00 N ATOM 582 CA ALA A 36 -0.470 10.549 -2.158 1.00 0.00 C ATOM 583 C ALA A 36 0.742 9.668 -2.489 1.00 0.00 C ATOM 584 O ALA A 36 0.698 8.461 -2.254 1.00 0.00 O ATOM 585 CB ALA A 36 -1.509 10.442 -3.277 1.00 0.00 C ATOM 0 H ALA A 36 -0.249 12.526 -2.803 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.888 10.188 -1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.787 9.397 -3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.393 11.021 -3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.087 10.832 -4.203 1.00 0.00 H new ATOM 591 N VAL A 37 1.814 10.254 -3.026 1.00 0.00 N ATOM 592 CA VAL A 37 2.983 9.551 -3.543 1.00 0.00 C ATOM 593 C VAL A 37 4.224 10.211 -2.913 1.00 0.00 C ATOM 594 O VAL A 37 4.889 11.024 -3.561 1.00 0.00 O ATOM 595 CB VAL A 37 2.967 9.553 -5.093 1.00 0.00 C ATOM 596 CG1 VAL A 37 4.019 8.576 -5.641 1.00 0.00 C ATOM 597 CG2 VAL A 37 1.600 9.152 -5.683 1.00 0.00 C ATOM 0 H VAL A 37 1.892 11.267 -3.115 1.00 0.00 H new ATOM 0 HA VAL A 37 2.990 8.496 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 37 3.186 10.578 -5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.995 8.589 -6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.009 8.876 -5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.801 7.569 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.653 9.173 -6.771 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.341 8.146 -5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.838 9.853 -5.344 1.00 0.00 H new ATOM 607 N PRO A 38 4.516 9.931 -1.626 1.00 0.00 N ATOM 608 CA PRO A 38 5.531 10.653 -0.860 1.00 0.00 C ATOM 609 C PRO A 38 6.968 10.378 -1.328 1.00 0.00 C ATOM 610 O PRO A 38 7.874 11.136 -0.973 1.00 0.00 O ATOM 611 CB PRO A 38 5.314 10.244 0.601 1.00 0.00 C ATOM 612 CG PRO A 38 4.676 8.861 0.497 1.00 0.00 C ATOM 613 CD PRO A 38 3.833 8.969 -0.771 1.00 0.00 C ATOM 0 HA PRO A 38 5.417 11.728 -1.003 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.254 10.211 1.152 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.664 10.947 1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.427 8.075 0.417 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.065 8.631 1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.745 8.001 -1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.821 9.302 -0.540 1.00 0.00 H new ATOM 621 N ASP A 39 7.194 9.336 -2.132 1.00 0.00 N ATOM 622 CA ASP A 39 8.461 9.070 -2.807 1.00 0.00 C ATOM 623 C ASP A 39 8.136 8.444 -4.160 1.00 0.00 C ATOM 624 O ASP A 39 7.230 7.609 -4.250 1.00 0.00 O ATOM 625 CB ASP A 39 9.336 8.126 -1.972 1.00 0.00 C ATOM 626 CG ASP A 39 10.690 7.895 -2.659 1.00 0.00 C ATOM 627 OD1 ASP A 39 10.753 7.086 -3.609 1.00 0.00 O ATOM 628 OD2 ASP A 39 11.689 8.533 -2.256 1.00 0.00 O ATOM 0 H ASP A 39 6.480 8.637 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 39 9.021 9.996 -2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.493 8.549 -0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.824 7.173 -1.835 1.00 0.00 H new ATOM 633 N LYS A 40 8.850 8.855 -5.214 1.00 0.00 N ATOM 634 CA LYS A 40 8.574 8.432 -6.588 1.00 0.00 C ATOM 635 C LYS A 40 8.613 6.915 -6.790 1.00 0.00 C ATOM 636 O LYS A 40 8.014 6.442 -7.754 1.00 0.00 O ATOM 637 CB LYS A 40 9.517 9.142 -7.580 1.00 0.00 C ATOM 638 CG LYS A 40 11.013 8.841 -7.348 1.00 0.00 C ATOM 639 CD LYS A 40 11.928 9.478 -8.409 1.00 0.00 C ATOM 640 CE LYS A 40 11.767 8.873 -9.814 1.00 0.00 C ATOM 641 NZ LYS A 40 12.261 7.477 -9.914 1.00 0.00 N ATOM 0 H LYS A 40 9.640 9.495 -5.135 1.00 0.00 H new ATOM 0 HA LYS A 40 7.546 8.733 -6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.250 8.846 -8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.358 10.218 -7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.302 9.205 -6.362 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.164 7.762 -7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.721 10.547 -8.458 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.965 9.368 -8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.714 8.899 -10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.304 9.493 -10.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.611 6.920 -10.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.208 7.474 -10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.310 7.057 -8.964 1.00 0.00 H new ATOM 655 N ASN A 41 9.323 6.161 -5.945 1.00 0.00 N ATOM 656 CA ASN A 41 9.435 4.710 -6.073 1.00 0.00 C ATOM 657 C ASN A 41 8.101 4.004 -5.808 1.00 0.00 C ATOM 658 O ASN A 41 7.899 2.887 -6.284 1.00 0.00 O ATOM 659 CB ASN A 41 10.494 4.180 -5.096 1.00 0.00 C ATOM 660 CG ASN A 41 10.680 2.669 -5.228 1.00 0.00 C ATOM 661 OD1 ASN A 41 11.136 2.174 -6.255 1.00 0.00 O ATOM 662 ND2 ASN A 41 10.356 1.905 -4.196 1.00 0.00 N ATOM 0 H ASN A 41 9.837 6.544 -5.151 1.00 0.00 H new ATOM 0 HA ASN A 41 9.730 4.496 -7.100 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.444 4.681 -5.282 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.201 4.423 -4.075 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.484 0.895 -4.249 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.978 2.327 -3.348 1.00 0.00 H new ATOM 669 N ASP A 42 7.207 4.611 -5.019 1.00 0.00 N ATOM 670 CA ASP A 42 5.942 3.977 -4.653 1.00 0.00 C ATOM 671 C ASP A 42 5.022 3.859 -5.871 1.00 0.00 C ATOM 672 O ASP A 42 5.016 4.739 -6.736 1.00 0.00 O ATOM 673 CB ASP A 42 5.245 4.755 -3.536 1.00 0.00 C ATOM 674 CG ASP A 42 4.020 3.991 -3.022 1.00 0.00 C ATOM 675 OD1 ASP A 42 4.113 2.751 -2.880 1.00 0.00 O ATOM 676 OD2 ASP A 42 2.994 4.638 -2.725 1.00 0.00 O ATOM 0 H ASP A 42 7.339 5.542 -4.623 1.00 0.00 H new ATOM 0 HA ASP A 42 6.163 2.974 -4.287 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.943 4.926 -2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.940 5.734 -3.905 1.00 0.00 H new ATOM 681 N THR A 43 4.259 2.771 -5.956 1.00 0.00 N ATOM 682 CA THR A 43 3.463 2.455 -7.138 1.00 0.00 C ATOM 683 C THR A 43 2.195 3.314 -7.144 1.00 0.00 C ATOM 684 O THR A 43 1.599 3.560 -6.091 1.00 0.00 O ATOM 685 CB THR A 43 3.104 0.956 -7.173 1.00 0.00 C ATOM 686 OG1 THR A 43 4.091 0.147 -6.560 1.00 0.00 O ATOM 687 CG2 THR A 43 2.899 0.459 -8.609 1.00 0.00 C ATOM 0 H THR A 43 4.176 2.084 -5.207 1.00 0.00 H new ATOM 0 HA THR A 43 4.050 2.677 -8.029 1.00 0.00 H new ATOM 0 HB THR A 43 2.174 0.866 -6.611 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.818 -0.793 -6.606 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.647 -0.601 -8.595 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.088 1.018 -9.075 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.816 0.607 -9.179 1.00 0.00 H new ATOM 695 N VAL A 44 1.733 3.710 -8.330 1.00 0.00 N ATOM 696 CA VAL A 44 0.555 4.546 -8.503 1.00 0.00 C ATOM 697 C VAL A 44 -0.256 3.960 -9.655 1.00 0.00 C ATOM 698 O VAL A 44 0.303 3.606 -10.697 1.00 0.00 O ATOM 699 CB VAL A 44 0.962 6.009 -8.801 1.00 0.00 C ATOM 700 CG1 VAL A 44 -0.201 6.955 -8.482 1.00 0.00 C ATOM 701 CG2 VAL A 44 2.204 6.497 -8.037 1.00 0.00 C ATOM 0 H VAL A 44 2.178 3.452 -9.211 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.041 4.561 -7.590 1.00 0.00 H new ATOM 0 HB VAL A 44 1.215 6.022 -9.861 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.096 7.982 -8.695 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.063 6.692 -9.095 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.465 6.865 -7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.415 7.532 -8.308 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.020 6.433 -6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.059 5.873 -8.296 1.00 0.00 H new ATOM 711 N LYS A 45 -1.575 3.884 -9.486 1.00 0.00 N ATOM 712 CA LYS A 45 -2.501 3.446 -10.521 1.00 0.00 C ATOM 713 C LYS A 45 -3.500 4.572 -10.698 1.00 0.00 C ATOM 714 O LYS A 45 -4.164 4.954 -9.733 1.00 0.00 O ATOM 715 CB LYS A 45 -3.167 2.121 -10.114 1.00 0.00 C ATOM 716 CG LYS A 45 -2.191 0.952 -10.317 1.00 0.00 C ATOM 717 CD LYS A 45 -2.782 -0.378 -9.837 1.00 0.00 C ATOM 718 CE LYS A 45 -1.806 -1.513 -10.177 1.00 0.00 C ATOM 719 NZ LYS A 45 -2.183 -2.791 -9.531 1.00 0.00 N ATOM 0 H LYS A 45 -2.035 4.130 -8.610 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.998 3.245 -11.467 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.478 2.167 -9.070 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.067 1.960 -10.708 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.933 0.874 -11.373 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.266 1.154 -9.777 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.960 -0.344 -8.762 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.746 -0.555 -10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.774 -1.650 -11.258 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.801 -1.232 -9.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.742 -3.582 -10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.855 -2.791 -8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.217 -2.899 -9.552 1.00 0.00 H new ATOM 733 N VAL A 46 -3.588 5.112 -11.910 1.00 0.00 N ATOM 734 CA VAL A 46 -4.469 6.228 -12.222 1.00 0.00 C ATOM 735 C VAL A 46 -5.526 5.745 -13.204 1.00 0.00 C ATOM 736 O VAL A 46 -5.240 4.961 -14.113 1.00 0.00 O ATOM 737 CB VAL A 46 -3.677 7.461 -12.720 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.844 8.069 -11.582 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.743 7.183 -13.910 1.00 0.00 C ATOM 0 H VAL A 46 -3.045 4.783 -12.708 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.975 6.572 -11.320 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.441 8.157 -13.066 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.296 8.934 -11.955 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.505 8.379 -10.773 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.139 7.326 -11.210 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.229 8.102 -14.192 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.009 6.429 -13.628 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.328 6.821 -14.755 1.00 0.00 H new ATOM 749 N TYR A 47 -6.754 6.217 -13.045 1.00 0.00 N ATOM 750 CA TYR A 47 -7.848 5.977 -13.972 1.00 0.00 C ATOM 751 C TYR A 47 -8.806 7.164 -13.867 1.00 0.00 C ATOM 752 O TYR A 47 -8.677 8.001 -12.968 1.00 0.00 O ATOM 753 CB TYR A 47 -8.545 4.646 -13.653 1.00 0.00 C ATOM 754 CG TYR A 47 -9.391 4.699 -12.402 1.00 0.00 C ATOM 755 CD1 TYR A 47 -10.727 5.128 -12.508 1.00 0.00 C ATOM 756 CD2 TYR A 47 -8.817 4.459 -11.139 1.00 0.00 C ATOM 757 CE1 TYR A 47 -11.453 5.434 -11.354 1.00 0.00 C ATOM 758 CE2 TYR A 47 -9.567 4.698 -9.974 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.872 5.224 -10.087 1.00 0.00 C ATOM 760 OH TYR A 47 -11.564 5.581 -8.981 1.00 0.00 O ATOM 0 H TYR A 47 -7.023 6.792 -12.247 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.481 5.893 -14.995 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.174 4.362 -14.497 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.791 3.867 -13.541 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.190 5.221 -13.479 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.804 4.092 -11.065 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.455 5.830 -11.432 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.149 4.481 -9.002 1.00 0.00 H new ATOM 0 HH TYR A 47 -12.221 6.270 -9.214 1.00 0.00 H new ATOM 770 N CYS A 48 -9.778 7.229 -14.770 1.00 0.00 N ATOM 771 CA CYS A 48 -10.904 8.146 -14.697 1.00 0.00 C ATOM 772 C CYS A 48 -12.064 7.513 -15.470 1.00 0.00 C ATOM 773 O CYS A 48 -12.007 6.328 -15.801 1.00 0.00 O ATOM 774 CB CYS A 48 -10.483 9.515 -15.251 1.00 0.00 C ATOM 775 SG CYS A 48 -9.915 9.336 -16.961 1.00 0.00 S ATOM 0 H CYS A 48 -9.803 6.628 -15.594 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.230 8.317 -13.671 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -11.322 10.209 -15.208 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.688 9.938 -14.636 1.00 0.00 H new ATOM 0 HG CYS A 48 -8.847 8.596 -16.988 1.00 0.00 H new ATOM 781 N ASN A 49 -13.102 8.293 -15.789 1.00 0.00 N ATOM 782 CA ASN A 49 -14.297 7.814 -16.486 1.00 0.00 C ATOM 783 C ASN A 49 -13.940 7.070 -17.779 1.00 0.00 C ATOM 784 O ASN A 49 -14.422 5.958 -17.993 1.00 0.00 O ATOM 785 CB ASN A 49 -15.214 9.015 -16.806 1.00 0.00 C ATOM 786 CG ASN A 49 -16.617 8.640 -17.300 1.00 0.00 C ATOM 787 OD1 ASN A 49 -17.551 9.416 -17.133 1.00 0.00 O ATOM 788 ND2 ASN A 49 -16.822 7.479 -17.901 1.00 0.00 N ATOM 0 H ASN A 49 -13.135 9.288 -15.567 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.814 7.110 -15.834 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.312 9.628 -15.910 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.730 9.632 -17.563 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.757 7.230 -18.225 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.045 6.833 -18.040 1.00 0.00 H new ATOM 795 N ALA A 50 -13.139 7.700 -18.638 1.00 0.00 N ATOM 796 CA ALA A 50 -12.865 7.265 -20.009 1.00 0.00 C ATOM 797 C ALA A 50 -11.371 7.388 -20.347 1.00 0.00 C ATOM 798 O ALA A 50 -11.000 7.698 -21.481 1.00 0.00 O ATOM 799 CB ALA A 50 -13.751 8.073 -20.970 1.00 0.00 C ATOM 0 H ALA A 50 -12.645 8.558 -18.390 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.109 6.208 -20.116 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.557 7.759 -21.995 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.800 7.900 -20.730 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.526 9.134 -20.867 1.00 0.00 H new ATOM 805 N GLY A 51 -10.500 7.214 -19.353 1.00 0.00 N ATOM 806 CA GLY A 51 -9.055 7.103 -19.536 1.00 0.00 C ATOM 807 C GLY A 51 -8.323 8.425 -19.788 1.00 0.00 C ATOM 808 O GLY A 51 -7.133 8.506 -19.491 1.00 0.00 O ATOM 0 H GLY A 51 -10.787 7.145 -18.377 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.628 6.634 -18.650 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.862 6.434 -20.375 1.00 0.00 H new ATOM 812 N ARG A 52 -8.980 9.474 -20.300 1.00 0.00 N ATOM 813 CA ARG A 52 -8.281 10.682 -20.762 1.00 0.00 C ATOM 814 C ARG A 52 -7.609 11.455 -19.651 1.00 0.00 C ATOM 815 O ARG A 52 -6.473 11.871 -19.851 1.00 0.00 O ATOM 816 CB ARG A 52 -9.204 11.611 -21.572 1.00 0.00 C ATOM 817 CG ARG A 52 -9.990 10.951 -22.723 1.00 0.00 C ATOM 818 CD ARG A 52 -9.122 10.067 -23.631 1.00 0.00 C ATOM 819 NE ARG A 52 -9.775 9.794 -24.925 1.00 0.00 N ATOM 820 CZ ARG A 52 -10.641 8.812 -25.211 1.00 0.00 C ATOM 821 NH1 ARG A 52 -11.072 7.965 -24.278 1.00 0.00 N ATOM 822 NH2 ARG A 52 -11.082 8.679 -26.458 1.00 0.00 N ATOM 0 H ARG A 52 -9.994 9.511 -20.405 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.492 10.315 -21.418 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.918 12.068 -20.887 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.600 12.418 -21.987 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.795 10.347 -22.303 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.457 11.729 -23.326 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.164 10.557 -23.805 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.911 9.125 -23.125 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.540 10.426 -25.691 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.743 8.054 -23.317 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.731 7.227 -24.525 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.761 9.320 -27.184 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.741 7.936 -26.689 1.00 0.00 H new ATOM 836 N GLN A 53 -8.258 11.673 -18.510 1.00 0.00 N ATOM 837 CA GLN A 53 -7.631 12.385 -17.398 1.00 0.00 C ATOM 838 C GLN A 53 -6.438 11.569 -16.882 1.00 0.00 C ATOM 839 O GLN A 53 -5.440 12.158 -16.486 1.00 0.00 O ATOM 840 CB GLN A 53 -8.630 12.701 -16.262 1.00 0.00 C ATOM 841 CG GLN A 53 -9.618 13.856 -16.513 1.00 0.00 C ATOM 842 CD GLN A 53 -10.398 13.722 -17.822 1.00 0.00 C ATOM 843 OE1 GLN A 53 -10.173 14.464 -18.774 1.00 0.00 O ATOM 844 NE2 GLN A 53 -11.295 12.751 -17.923 1.00 0.00 N ATOM 0 H GLN A 53 -9.215 11.368 -18.331 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.278 13.349 -17.765 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.206 11.799 -16.054 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.060 12.930 -15.361 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.323 13.906 -15.683 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.069 14.797 -16.522 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.476 12.139 -17.127 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.804 12.616 -18.796 1.00 0.00 H new ATOM 853 N SER A 54 -6.501 10.235 -16.910 1.00 0.00 N ATOM 854 CA SER A 54 -5.445 9.367 -16.396 1.00 0.00 C ATOM 855 C SER A 54 -4.274 9.202 -17.359 1.00 0.00 C ATOM 856 O SER A 54 -3.134 9.170 -16.901 1.00 0.00 O ATOM 857 CB SER A 54 -6.040 8.026 -15.972 1.00 0.00 C ATOM 858 OG SER A 54 -7.174 7.661 -16.745 1.00 0.00 O ATOM 0 H SER A 54 -7.296 9.725 -17.295 1.00 0.00 H new ATOM 0 HA SER A 54 -5.017 9.854 -15.520 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.279 7.251 -16.062 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.323 8.075 -14.920 1.00 0.00 H new ATOM 0 HG SER A 54 -7.000 7.850 -17.691 1.00 0.00 H new ATOM 864 N GLY A 55 -4.513 9.162 -18.671 1.00 0.00 N ATOM 865 CA GLY A 55 -3.442 9.216 -19.657 1.00 0.00 C ATOM 866 C GLY A 55 -2.728 10.559 -19.545 1.00 0.00 C ATOM 867 O GLY A 55 -1.505 10.609 -19.427 1.00 0.00 O ATOM 0 H GLY A 55 -5.448 9.092 -19.074 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.738 8.401 -19.492 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.848 9.088 -20.661 1.00 0.00 H new ATOM 871 N GLN A 56 -3.506 11.644 -19.472 1.00 0.00 N ATOM 872 CA GLN A 56 -2.998 12.988 -19.243 1.00 0.00 C ATOM 873 C GLN A 56 -2.184 13.064 -17.939 1.00 0.00 C ATOM 874 O GLN A 56 -1.092 13.632 -17.931 1.00 0.00 O ATOM 875 CB GLN A 56 -4.184 13.966 -19.259 1.00 0.00 C ATOM 876 CG GLN A 56 -4.532 14.393 -20.693 1.00 0.00 C ATOM 877 CD GLN A 56 -5.779 15.277 -20.726 1.00 0.00 C ATOM 878 OE1 GLN A 56 -5.709 16.487 -20.929 1.00 0.00 O ATOM 879 NE2 GLN A 56 -6.942 14.684 -20.520 1.00 0.00 N ATOM 0 H GLN A 56 -4.520 11.606 -19.573 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.306 13.267 -20.038 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.052 13.497 -18.796 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.941 14.846 -18.663 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.690 14.932 -21.128 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.695 13.508 -21.308 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.979 13.678 -20.353 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.802 15.232 -20.528 1.00 0.00 H new ATOM 888 N ALA A 57 -2.670 12.459 -16.849 1.00 0.00 N ATOM 889 CA ALA A 57 -1.964 12.440 -15.573 1.00 0.00 C ATOM 890 C ALA A 57 -0.661 11.641 -15.683 1.00 0.00 C ATOM 891 O ALA A 57 0.376 12.099 -15.211 1.00 0.00 O ATOM 892 CB ALA A 57 -2.864 11.884 -14.463 1.00 0.00 C ATOM 0 H ALA A 57 -3.565 11.970 -16.832 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.704 13.466 -15.311 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.318 11.879 -13.520 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.750 12.511 -14.365 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.165 10.867 -14.714 1.00 0.00 H new ATOM 898 N LYS A 58 -0.672 10.471 -16.329 1.00 0.00 N ATOM 899 CA LYS A 58 0.542 9.683 -16.528 1.00 0.00 C ATOM 900 C LYS A 58 1.573 10.502 -17.307 1.00 0.00 C ATOM 901 O LYS A 58 2.753 10.464 -16.959 1.00 0.00 O ATOM 902 CB LYS A 58 0.196 8.353 -17.222 1.00 0.00 C ATOM 903 CG LYS A 58 1.401 7.400 -17.284 1.00 0.00 C ATOM 904 CD LYS A 58 1.042 6.092 -18.004 1.00 0.00 C ATOM 905 CE LYS A 58 2.284 5.195 -18.111 1.00 0.00 C ATOM 906 NZ LYS A 58 2.031 3.974 -18.916 1.00 0.00 N ATOM 0 H LYS A 58 -1.513 10.050 -16.723 1.00 0.00 H new ATOM 0 HA LYS A 58 0.988 9.436 -15.565 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.621 7.868 -16.688 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.159 8.554 -18.233 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.227 7.888 -17.802 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.745 7.179 -16.274 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.253 5.572 -17.460 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.653 6.309 -18.999 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.100 5.761 -18.560 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.608 4.907 -17.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.924 3.461 -19.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.357 3.361 -18.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.634 4.243 -19.839 1.00 0.00 H new ATOM 920 N GLU A 59 1.150 11.263 -18.320 1.00 0.00 N ATOM 921 CA GLU A 59 2.054 12.096 -19.102 1.00 0.00 C ATOM 922 C GLU A 59 2.707 13.173 -18.228 1.00 0.00 C ATOM 923 O GLU A 59 3.939 13.238 -18.204 1.00 0.00 O ATOM 924 CB GLU A 59 1.339 12.711 -20.316 1.00 0.00 C ATOM 925 CG GLU A 59 1.138 11.684 -21.440 1.00 0.00 C ATOM 926 CD GLU A 59 0.455 12.314 -22.668 1.00 0.00 C ATOM 927 OE1 GLU A 59 1.156 12.909 -23.519 1.00 0.00 O ATOM 928 OE2 GLU A 59 -0.784 12.203 -22.815 1.00 0.00 O ATOM 0 H GLU A 59 0.175 11.316 -18.616 1.00 0.00 H new ATOM 0 HA GLU A 59 2.849 11.456 -19.484 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.371 13.105 -20.006 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.920 13.553 -20.692 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.103 11.270 -21.732 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.534 10.855 -21.072 1.00 0.00 H new ATOM 935 N ILE A 60 1.946 13.990 -17.479 1.00 0.00 N ATOM 936 CA ILE A 60 2.568 15.036 -16.675 1.00 0.00 C ATOM 937 C ILE A 60 3.436 14.429 -15.573 1.00 0.00 C ATOM 938 O ILE A 60 4.490 14.977 -15.273 1.00 0.00 O ATOM 939 CB ILE A 60 1.534 16.039 -16.124 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.639 15.430 -15.021 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.740 16.664 -17.289 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.494 16.336 -14.554 1.00 0.00 C ATOM 0 H ILE A 60 0.929 13.944 -17.418 1.00 0.00 H new ATOM 0 HA ILE A 60 3.224 15.611 -17.328 1.00 0.00 H new ATOM 0 HB ILE A 60 2.068 16.845 -15.621 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.213 14.497 -15.391 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.262 15.178 -14.163 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.011 17.372 -16.894 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.425 17.184 -17.958 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.222 15.878 -17.839 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.070 15.829 -13.780 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.079 17.259 -14.151 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.145 16.569 -15.397 1.00 0.00 H new ATOM 954 N LEU A 61 3.050 13.286 -14.998 1.00 0.00 N ATOM 955 CA LEU A 61 3.826 12.657 -13.937 1.00 0.00 C ATOM 956 C LEU A 61 5.137 12.103 -14.482 1.00 0.00 C ATOM 957 O LEU A 61 6.163 12.215 -13.810 1.00 0.00 O ATOM 958 CB LEU A 61 2.994 11.574 -13.233 1.00 0.00 C ATOM 959 CG LEU A 61 1.832 12.165 -12.411 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.894 11.059 -11.916 1.00 0.00 C ATOM 961 CD2 LEU A 61 2.324 12.975 -11.214 1.00 0.00 C ATOM 0 H LEU A 61 2.202 12.780 -15.254 1.00 0.00 H new ATOM 0 HA LEU A 61 4.080 13.412 -13.193 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.595 10.885 -13.978 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.641 10.993 -12.576 1.00 0.00 H new ATOM 0 HG LEU A 61 1.291 12.835 -13.080 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.082 11.502 -11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.481 10.523 -12.770 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.450 10.365 -11.286 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.469 13.371 -10.666 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.911 12.333 -10.557 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.944 13.800 -11.563 1.00 0.00 H new ATOM 973 N SER A 62 5.137 11.574 -15.707 1.00 0.00 N ATOM 974 CA SER A 62 6.360 11.156 -16.376 1.00 0.00 C ATOM 975 C SER A 62 7.281 12.362 -16.608 1.00 0.00 C ATOM 976 O SER A 62 8.493 12.250 -16.419 1.00 0.00 O ATOM 977 CB SER A 62 6.023 10.451 -17.696 1.00 0.00 C ATOM 978 OG SER A 62 5.144 9.358 -17.486 1.00 0.00 O ATOM 0 H SER A 62 4.291 11.426 -16.257 1.00 0.00 H new ATOM 0 HA SER A 62 6.891 10.448 -15.739 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.565 11.162 -18.384 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.940 10.098 -18.167 1.00 0.00 H new ATOM 0 HG SER A 62 4.218 9.680 -17.476 1.00 0.00 H new ATOM 984 N GLU A 63 6.722 13.524 -16.968 1.00 0.00 N ATOM 985 CA GLU A 63 7.485 14.753 -17.173 1.00 0.00 C ATOM 986 C GLU A 63 8.049 15.262 -15.835 1.00 0.00 C ATOM 987 O GLU A 63 9.219 15.638 -15.763 1.00 0.00 O ATOM 988 CB GLU A 63 6.584 15.790 -17.871 1.00 0.00 C ATOM 989 CG GLU A 63 7.347 16.919 -18.585 1.00 0.00 C ATOM 990 CD GLU A 63 8.032 17.934 -17.649 1.00 0.00 C ATOM 991 OE1 GLU A 63 7.370 18.495 -16.748 1.00 0.00 O ATOM 992 OE2 GLU A 63 9.231 18.233 -17.856 1.00 0.00 O ATOM 0 H GLU A 63 5.720 13.634 -17.125 1.00 0.00 H new ATOM 0 HA GLU A 63 8.343 14.565 -17.818 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.956 15.276 -18.599 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.917 16.231 -17.130 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.104 16.474 -19.231 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.652 17.455 -19.231 1.00 0.00 H new ATOM 999 N MET A 64 7.244 15.222 -14.765 1.00 0.00 N ATOM 1000 CA MET A 64 7.642 15.613 -13.412 1.00 0.00 C ATOM 1001 C MET A 64 8.749 14.695 -12.875 1.00 0.00 C ATOM 1002 O MET A 64 9.587 15.154 -12.096 1.00 0.00 O ATOM 1003 CB MET A 64 6.420 15.613 -12.475 1.00 0.00 C ATOM 1004 CG MET A 64 5.454 16.770 -12.778 1.00 0.00 C ATOM 1005 SD MET A 64 3.808 16.634 -12.017 1.00 0.00 S ATOM 1006 CE MET A 64 4.200 17.006 -10.285 1.00 0.00 C ATOM 0 H MET A 64 6.275 14.909 -14.821 1.00 0.00 H new ATOM 0 HA MET A 64 8.045 16.625 -13.452 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.890 14.665 -12.572 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.757 15.685 -11.441 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.913 17.701 -12.445 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.331 16.844 -13.858 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.289 16.962 -9.688 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.916 16.275 -9.909 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.631 18.005 -10.216 1.00 0.00 H new ATOM 1016 N GLY A 65 8.781 13.427 -13.302 1.00 0.00 N ATOM 1017 CA GLY A 65 9.891 12.508 -13.066 1.00 0.00 C ATOM 1018 C GLY A 65 9.489 11.205 -12.377 1.00 0.00 C ATOM 1019 O GLY A 65 10.374 10.433 -12.009 1.00 0.00 O ATOM 0 H GLY A 65 8.018 13.006 -13.832 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.361 12.271 -14.020 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.642 13.011 -12.457 1.00 0.00 H new ATOM 1023 N TYR A 66 8.196 10.947 -12.160 1.00 0.00 N ATOM 1024 CA TYR A 66 7.742 9.674 -11.606 1.00 0.00 C ATOM 1025 C TYR A 66 7.929 8.573 -12.656 1.00 0.00 C ATOM 1026 O TYR A 66 7.784 8.822 -13.856 1.00 0.00 O ATOM 1027 CB TYR A 66 6.273 9.759 -11.171 1.00 0.00 C ATOM 1028 CG TYR A 66 5.990 10.725 -10.031 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.771 12.093 -10.291 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.934 10.252 -8.706 1.00 0.00 C ATOM 1031 CE1 TYR A 66 5.510 12.985 -9.236 1.00 0.00 C ATOM 1032 CE2 TYR A 66 5.677 11.139 -7.645 1.00 0.00 C ATOM 1033 CZ TYR A 66 5.463 12.511 -7.904 1.00 0.00 C ATOM 1034 OH TYR A 66 5.217 13.361 -6.867 1.00 0.00 O ATOM 0 H TYR A 66 7.445 11.607 -12.361 1.00 0.00 H new ATOM 0 HA TYR A 66 8.335 9.438 -10.723 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.672 10.052 -12.032 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.941 8.764 -10.874 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.804 12.458 -11.307 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.089 9.203 -8.503 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.345 14.032 -9.443 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.643 10.770 -6.630 1.00 0.00 H new ATOM 0 HH TYR A 66 5.221 12.860 -6.025 1.00 0.00 H new ATOM 1044 N THR A 67 8.206 7.347 -12.204 1.00 0.00 N ATOM 1045 CA THR A 67 8.556 6.216 -13.071 1.00 0.00 C ATOM 1046 C THR A 67 7.785 4.935 -12.692 1.00 0.00 C ATOM 1047 O THR A 67 8.088 3.856 -13.205 1.00 0.00 O ATOM 1048 CB THR A 67 10.092 6.034 -13.042 1.00 0.00 C ATOM 1049 OG1 THR A 67 10.591 6.087 -11.715 1.00 0.00 O ATOM 1050 CG2 THR A 67 10.814 7.141 -13.815 1.00 0.00 C ATOM 0 H THR A 67 8.194 7.108 -11.213 1.00 0.00 H new ATOM 0 HA THR A 67 8.251 6.429 -14.096 1.00 0.00 H new ATOM 0 HB THR A 67 10.280 5.062 -13.498 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.291 5.411 -11.602 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.890 6.974 -13.769 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.489 7.130 -14.855 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.577 8.108 -13.372 1.00 0.00 H new ATOM 1058 N HIS A 68 6.782 5.042 -11.807 1.00 0.00 N ATOM 1059 CA HIS A 68 6.044 3.913 -11.228 1.00 0.00 C ATOM 1060 C HIS A 68 4.533 4.187 -11.274 1.00 0.00 C ATOM 1061 O HIS A 68 3.784 3.787 -10.380 1.00 0.00 O ATOM 1062 CB HIS A 68 6.557 3.628 -9.803 1.00 0.00 C ATOM 1063 CG HIS A 68 8.037 3.335 -9.730 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.638 2.095 -9.699 1.00 0.00 N ATOM 1065 CD2 HIS A 68 9.041 4.264 -9.713 1.00 0.00 C ATOM 1066 CE1 HIS A 68 9.969 2.280 -9.668 1.00 0.00 C ATOM 1067 NE2 HIS A 68 10.270 3.593 -9.685 1.00 0.00 N ATOM 0 H HIS A 68 6.453 5.945 -11.465 1.00 0.00 H new ATOM 0 HA HIS A 68 6.218 3.013 -11.818 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.335 4.487 -9.170 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.008 2.780 -9.393 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.908 5.336 -9.720 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.698 1.484 -9.634 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.200 4.012 -9.679 1.00 0.00 H new ATOM 1075 N VAL A 69 4.092 4.899 -12.312 1.00 0.00 N ATOM 1076 CA VAL A 69 2.699 5.259 -12.550 1.00 0.00 C ATOM 1077 C VAL A 69 2.228 4.418 -13.735 1.00 0.00 C ATOM 1078 O VAL A 69 2.957 4.278 -14.722 1.00 0.00 O ATOM 1079 CB VAL A 69 2.580 6.774 -12.846 1.00 0.00 C ATOM 1080 CG1 VAL A 69 1.114 7.215 -12.973 1.00 0.00 C ATOM 1081 CG2 VAL A 69 3.256 7.638 -11.768 1.00 0.00 C ATOM 0 H VAL A 69 4.720 5.252 -13.034 1.00 0.00 H new ATOM 0 HA VAL A 69 2.079 5.062 -11.676 1.00 0.00 H new ATOM 0 HB VAL A 69 3.094 6.926 -13.795 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.072 8.284 -13.181 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.639 6.668 -13.788 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.589 7.006 -12.041 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.144 8.692 -12.023 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.788 7.447 -10.802 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.316 7.389 -11.714 1.00 0.00 H new ATOM 1091 N GLU A 70 1.006 3.890 -13.671 1.00 0.00 N ATOM 1092 CA GLU A 70 0.379 3.199 -14.786 1.00 0.00 C ATOM 1093 C GLU A 70 -1.091 3.608 -14.853 1.00 0.00 C ATOM 1094 O GLU A 70 -1.724 3.853 -13.822 1.00 0.00 O ATOM 1095 CB GLU A 70 0.566 1.679 -14.618 1.00 0.00 C ATOM 1096 CG GLU A 70 -0.028 0.832 -15.757 1.00 0.00 C ATOM 1097 CD GLU A 70 0.565 1.175 -17.135 1.00 0.00 C ATOM 1098 OE1 GLU A 70 0.252 2.263 -17.673 1.00 0.00 O ATOM 1099 OE2 GLU A 70 1.348 0.367 -17.684 1.00 0.00 O ATOM 0 H GLU A 70 0.423 3.933 -12.835 1.00 0.00 H new ATOM 0 HA GLU A 70 0.845 3.476 -15.732 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.632 1.463 -14.540 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.109 1.371 -13.677 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.145 -0.223 -15.546 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.108 0.978 -15.786 1.00 0.00 H new ATOM 1106 N ASN A 71 -1.638 3.684 -16.069 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.067 3.865 -16.260 1.00 0.00 C ATOM 1108 C ASN A 71 -3.734 2.496 -16.158 1.00 0.00 C ATOM 1109 O ASN A 71 -3.522 1.644 -17.022 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.393 4.540 -17.600 1.00 0.00 C ATOM 1111 CG ASN A 71 -4.892 4.476 -17.908 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.289 4.124 -19.014 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -5.756 4.781 -16.950 1.00 0.00 N ATOM 0 H ASN A 71 -1.104 3.622 -16.936 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.450 4.532 -15.487 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.070 5.581 -17.573 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.835 4.053 -18.400 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.758 4.724 -17.130 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.418 5.073 -16.033 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.529 2.282 -15.106 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.210 1.011 -14.878 1.00 0.00 C ATOM 1122 C ALA A 72 -6.261 0.712 -15.959 1.00 0.00 C ATOM 1123 O ALA A 72 -6.539 -0.458 -16.226 1.00 0.00 O ATOM 1124 CB ALA A 72 -5.857 1.017 -13.489 1.00 0.00 C ATOM 0 H ALA A 72 -4.716 2.985 -14.391 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.464 0.218 -14.933 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.365 0.068 -13.320 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.087 1.157 -12.730 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.579 1.831 -13.428 1.00 0.00 H new ATOM 1130 N GLY A 73 -6.847 1.746 -16.570 1.00 0.00 N ATOM 1131 CA GLY A 73 -7.910 1.630 -17.560 1.00 0.00 C ATOM 1132 C GLY A 73 -8.856 2.819 -17.432 1.00 0.00 C ATOM 1133 O GLY A 73 -8.442 3.900 -17.001 1.00 0.00 O ATOM 0 H GLY A 73 -6.584 2.713 -16.381 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.485 1.596 -18.563 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.457 0.699 -17.414 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.126 2.607 -17.774 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.213 3.537 -17.503 1.00 0.00 C ATOM 1139 C GLY A 74 -12.196 2.857 -16.555 1.00 0.00 C ATOM 1140 O GLY A 74 -12.252 1.627 -16.497 1.00 0.00 O ATOM 0 H GLY A 74 -10.431 1.763 -18.258 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.827 4.454 -17.057 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.712 3.819 -18.430 1.00 0.00 H new ATOM 1144 N LEU A 75 -12.969 3.645 -15.808 1.00 0.00 N ATOM 1145 CA LEU A 75 -13.796 3.183 -14.690 1.00 0.00 C ATOM 1146 C LEU A 75 -14.738 2.032 -15.063 1.00 0.00 C ATOM 1147 O LEU A 75 -14.913 1.104 -14.272 1.00 0.00 O ATOM 1148 CB LEU A 75 -14.572 4.392 -14.134 1.00 0.00 C ATOM 1149 CG LEU A 75 -15.458 4.100 -12.902 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -14.694 3.469 -11.730 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -16.064 5.424 -12.431 1.00 0.00 C ATOM 0 H LEU A 75 -13.040 4.650 -15.967 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.139 2.769 -13.925 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.857 5.171 -13.870 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.203 4.794 -14.927 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.215 3.379 -13.210 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.380 3.292 -10.901 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.258 2.522 -12.048 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.901 4.144 -11.407 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.695 5.246 -11.560 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.265 6.115 -12.164 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -16.664 5.855 -13.232 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.335 2.073 -16.259 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.251 1.023 -16.713 1.00 0.00 C ATOM 1165 C LYS A 76 -15.506 -0.260 -17.088 1.00 0.00 C ATOM 1166 O LYS A 76 -16.065 -1.347 -16.944 1.00 0.00 O ATOM 1167 CB LYS A 76 -17.081 1.516 -17.910 1.00 0.00 C ATOM 1168 CG LYS A 76 -18.057 2.638 -17.521 1.00 0.00 C ATOM 1169 CD LYS A 76 -18.938 3.038 -18.712 1.00 0.00 C ATOM 1170 CE LYS A 76 -19.951 4.110 -18.287 1.00 0.00 C ATOM 1171 NZ LYS A 76 -20.838 4.519 -19.404 1.00 0.00 N ATOM 0 H LYS A 76 -15.199 2.827 -16.933 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.917 0.792 -15.882 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.411 1.875 -18.691 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.641 0.680 -18.330 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.685 2.308 -16.694 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.498 3.505 -17.170 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.316 3.417 -19.523 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -19.463 2.163 -19.095 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.557 3.729 -17.465 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.417 4.983 -17.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.505 5.244 -19.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.264 4.908 -20.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.368 3.693 -19.747 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.273 -0.151 -17.591 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.487 -1.295 -18.057 1.00 0.00 C ATOM 1187 C ASP A 77 -12.788 -2.002 -16.893 1.00 0.00 C ATOM 1188 O ASP A 77 -12.665 -3.227 -16.897 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.438 -0.826 -19.072 1.00 0.00 C ATOM 1190 CG ASP A 77 -11.558 -1.997 -19.541 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -12.042 -2.846 -20.323 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.368 -2.054 -19.159 1.00 0.00 O ATOM 0 H ASP A 77 -13.789 0.742 -17.687 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.170 -2.002 -18.528 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.935 -0.374 -19.930 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.813 -0.054 -18.623 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.346 -1.234 -15.892 1.00 0.00 N ATOM 1198 CA ILE A 78 -11.664 -1.727 -14.700 1.00 0.00 C ATOM 1199 C ILE A 78 -12.595 -2.702 -13.966 1.00 0.00 C ATOM 1200 O ILE A 78 -13.746 -2.371 -13.674 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.217 -0.509 -13.853 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.003 0.157 -14.541 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -10.859 -0.881 -12.404 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -9.699 1.560 -14.016 1.00 0.00 C ATOM 0 H ILE A 78 -12.459 -0.220 -15.893 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.761 -2.289 -14.939 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.059 0.181 -13.796 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.125 -0.473 -14.400 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.188 0.211 -15.614 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.554 0.015 -11.863 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.729 -1.321 -11.916 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.040 -1.601 -12.405 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.836 1.967 -14.543 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.562 2.205 -14.181 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.482 1.510 -12.949 1.00 0.00 H new ATOM 1216 N ALA A 79 -12.083 -3.896 -13.646 1.00 0.00 N ATOM 1217 CA ALA A 79 -12.849 -4.973 -13.018 1.00 0.00 C ATOM 1218 C ALA A 79 -12.976 -4.819 -11.491 1.00 0.00 C ATOM 1219 O ALA A 79 -13.694 -5.600 -10.862 1.00 0.00 O ATOM 1220 CB ALA A 79 -12.190 -6.315 -13.362 1.00 0.00 C ATOM 0 H ALA A 79 -11.109 -4.143 -13.820 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.864 -4.928 -13.412 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.752 -7.126 -12.899 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.182 -6.450 -14.444 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.166 -6.324 -12.988 1.00 0.00 H new ATOM 1226 N MET A 80 -12.276 -3.852 -10.885 1.00 0.00 N ATOM 1227 CA MET A 80 -12.350 -3.579 -9.447 1.00 0.00 C ATOM 1228 C MET A 80 -13.786 -3.205 -9.043 1.00 0.00 C ATOM 1229 O MET A 80 -14.527 -2.673 -9.879 1.00 0.00 O ATOM 1230 CB MET A 80 -11.399 -2.431 -9.063 1.00 0.00 C ATOM 1231 CG MET A 80 -9.916 -2.745 -9.294 1.00 0.00 C ATOM 1232 SD MET A 80 -9.217 -4.045 -8.236 1.00 0.00 S ATOM 1233 CE MET A 80 -9.069 -3.137 -6.671 1.00 0.00 C ATOM 0 H MET A 80 -11.638 -3.233 -11.384 1.00 0.00 H new ATOM 0 HA MET A 80 -12.051 -4.484 -8.918 1.00 0.00 H new ATOM 0 HB2 MET A 80 -11.666 -1.544 -9.638 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.548 -2.186 -8.011 1.00 0.00 H new ATOM 0 HG2 MET A 80 -9.783 -3.038 -10.335 1.00 0.00 H new ATOM 0 HG3 MET A 80 -9.342 -1.831 -9.144 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.603 -3.777 -5.922 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.455 -2.249 -6.822 1.00 0.00 H new ATOM 0 HE3 MET A 80 -10.060 -2.839 -6.328 1.00 0.00 H new ATOM 1243 N PRO A 81 -14.185 -3.419 -7.775 1.00 0.00 N ATOM 1244 CA PRO A 81 -15.446 -2.910 -7.248 1.00 0.00 C ATOM 1245 C PRO A 81 -15.425 -1.378 -7.156 1.00 0.00 C ATOM 1246 O PRO A 81 -14.369 -0.744 -7.246 1.00 0.00 O ATOM 1247 CB PRO A 81 -15.611 -3.576 -5.877 1.00 0.00 C ATOM 1248 CG PRO A 81 -14.174 -3.831 -5.427 1.00 0.00 C ATOM 1249 CD PRO A 81 -13.447 -4.129 -6.737 1.00 0.00 C ATOM 0 HA PRO A 81 -16.290 -3.145 -7.897 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.141 -2.929 -5.178 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.180 -4.503 -5.947 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.751 -2.964 -4.920 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.112 -4.669 -4.732 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.411 -3.792 -6.694 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.425 -5.200 -6.937 1.00 0.00 H new ATOM 1257 N LYS A 82 -16.596 -0.773 -6.940 1.00 0.00 N ATOM 1258 CA LYS A 82 -16.784 0.678 -6.904 1.00 0.00 C ATOM 1259 C LYS A 82 -17.524 1.080 -5.630 1.00 0.00 C ATOM 1260 O LYS A 82 -17.972 0.225 -4.862 1.00 0.00 O ATOM 1261 CB LYS A 82 -17.543 1.167 -8.162 1.00 0.00 C ATOM 1262 CG LYS A 82 -16.727 1.122 -9.465 1.00 0.00 C ATOM 1263 CD LYS A 82 -16.866 -0.194 -10.240 1.00 0.00 C ATOM 1264 CE LYS A 82 -15.945 -0.184 -11.467 1.00 0.00 C ATOM 1265 NZ LYS A 82 -15.860 -1.523 -12.090 1.00 0.00 N ATOM 0 H LYS A 82 -17.460 -1.292 -6.782 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.804 1.155 -6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -18.438 0.558 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.876 2.191 -7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.040 1.945 -10.107 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.675 1.284 -9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.614 -1.034 -9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.901 -0.333 -10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.317 0.535 -12.197 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.949 0.146 -11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.129 -1.516 -12.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.613 -2.228 -11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.778 -1.768 -12.512 1.00 0.00 H new ATOM 1279 N VAL A 83 -17.646 2.383 -5.406 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.511 2.990 -4.405 1.00 0.00 C ATOM 1281 C VAL A 83 -18.994 4.320 -4.978 1.00 0.00 C ATOM 1282 O VAL A 83 -18.474 4.817 -5.983 1.00 0.00 O ATOM 1283 CB VAL A 83 -17.794 3.096 -3.044 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -16.553 3.996 -3.075 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -18.699 3.511 -1.875 1.00 0.00 C ATOM 0 H VAL A 83 -17.121 3.075 -5.941 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.385 2.375 -4.193 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.475 2.070 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.099 4.024 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -15.834 3.600 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -16.842 5.005 -3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -18.111 3.560 -0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.133 4.490 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.497 2.778 -1.755 1.00 0.00 H new